This study investigated the interaction between Mobic, a non-steroidal anti-inflammatory drug, and lysozyme, an antibacterial protein, under simulated physiological conditions using spectroscopy and molecular docking techniques. Synchronous fluorescence spectroscopy showed that Mobic quenched the fluorescence of lysozyme through static quenching and that there was one binding site between Mobic and lysozyme. Circular dichroism spectroscopy and molecular docking indicated that the binding of Mobic altered the secondary structure and active site of lysozyme. Thermodynamic analysis suggested that hydrophobic interactions played an important role in the formation of the Mobic-lysozyme complex.
Toxic Interaction Mechanism of food Colorant Sunset Yellow with trypsin by Sp...AI Publications
The interaction between food colorant sunset yellow (SY) and trypsin (TRP) was studied by multiple spectroscopic and molecular docking methods and molecular docking simulation under simulated physiological conditions to evaluate the toxic of SY at the protein level. The results showed that SY could effectively quench the endogenous fluorescence of TRP, formed a 1:1 complex. The binding distance (r) between SY and TRP was obtained based on the Förster nonradioactive resonance energy transfer and r was less than 7 nm, which indicated that there was a non-radiative energy transition in the system. The thermodynamic parameters were obtained from the van't Hoff equation, and the Gibbs free energy ΔG<0, indicating that the reaction was spontaneous; ΔH<0, ΔS>0, indicating hydrophobic interaction played a major role in forming the SY-TRP complex. Molecular docking results showed that SY was surrounded by the active amino acid residues Ser195, His57 and Asp102 of TRP, which altered the microenvironment of amino acid residues at the catalytic active center of TRP. Furthermore, as shown by the synchronous fluorescence, UV-Visible absorption and circular dichroism data, SY could lead to the conformational and microenvironmental changes of TRP, which may affect its physiological function.
Application of uv visible spectroscopy in pharmaceutical industryFarhad Ashraf
UV-visible spectroscopy can be used for clinical and pre-clinical applications in cancer diagnosis and analysis. It allows non-invasive measurement of biomarkers like tumor oxygenation, angiogenesis, redox state, and morphology. Spectroscopy measures how light interacts with tissue via absorption and fluorescence of chromophores and fluorophores. This optical signature contains physiologically meaningful information about cancer progression and treatment response that can provide insights not available from traditional pathology. Quantitative optical techniques have the potential to improve cancer management with personalized, molecularly-informed assessments.
This document discusses using ion mobility mass spectrometry to quantify linear impurities in cyclic polylactide samples. It finds that the method was unable to accurately determine low levels of linear contamination, as cyclic ions at lower polymerization degrees were less likely to adopt the triply charged state analyzed. This led to an overestimation of linear content. Considering additional charge states or shifting ion conformations may help address this issue in future work. The document introduces the topic, experimental methods, data analysis, results showing inconsistent quantification at different polymerization degrees, and conclusions about limitations and potential improvements.
Quantitative Analysis of 30 Drugs in Whole Blood by SPE and UHPLC-TOF-MSAnnex Publishers
The document describes the development and validation of an UHPLC-TOF-MS method for the quantitative analysis of 30 drugs in whole blood. Key points:
- The method was used to simultaneously screen for and quantify 30 common drugs and drugs of abuse in blood samples.
- Samples underwent solid phase extraction, were separated via UHPLC and analyzed by TOF-MS. Extraction recoveries ranged from 41-111% and matrix effects ranged from -13% to 50%.
- Calibration curves for each drug showed good linearity. Lower limits of quantification ranged from 0.005-0.05 mg/kg. Accuracy and precision were satisfactory above the LOQ.
- The validated method allows for simultaneous screening
Advances of Cancer Synergic Photo-Therapy: Kinetics and Efficacy_Crimson Publ...CrimsonpublishersCancer
The kinetics and efficacy of anti-cancer via phototherapy are reviewed. Factors influencing the cancer therapy efficiency in both photothermal therapy (PTT) and photodynamic therapy (PDT) using nanogold particles and photosensitizers (PS), respectively, are analyzed. Efficacy of cancer therapy may be enhanced by combining PTT and PDT either activated by one light or two lights. For maximum PTT/PDT synergistic efficacy, the concentration of photosensitizers and nanogold required optimization, besides the wavelength of the light matching the absorption peak of PS and nanogold, and the sequential order of PTT and PDT process. External supply of either photosensitizers or oxygen concentration will significantly improve the anti-cancer efficacy via type-II PDT. The singlet oxygen threshold dose for PDT and cell viability are governed by the product of PS concentration and light dose.
Mass Spectrometry: Protein Identification StrategiesMichel Dumontier
The document discusses protein identification strategies using mass spectrometry, including peptide mass fingerprinting (PMF) and tandem mass spectrometry. PMF involves comparing observed peptide masses from an unknown protein to theoretical masses in a database to identify matches, while tandem mass spectrometry fragments peptides and matches the fragmentation pattern to sequences in the database. The document provides details on how each technique works and their relative advantages and limitations.
An Impact of Biofield Treatment on Spectroscopic Characterization of Pharmace...albertdivis
The stability of any pharmaceutical compound is most desired quality that determines its shelf life and effectiveness.The stability can be correlated to structural and bonding properties of compound and any variation arise in these properties can be easily determined by spectroscopic analysis. The present study was aimed to evaluate the impact of biofield treatment on these properties of four pharmaceutical compounds such as urea, thiourea, sodium carbonate,and magnesium sulphate, using spectroscopic analysis.
I was recently invited to present a poster at the Liverpool John Moores University / Bionow event on 16th May 2017. The interdisciplinary project involved the lung biosimulator to determine the impact of cigarette / e-cigarette smoke on pulmonary surfactant function. My collaborator, Dr Jason Birkett, provided GC / GC-MS support for smoke vapour analysis / quantification. I thought the poster may be of interest to some, hence the post. BW. Mike.
Toxic Interaction Mechanism of food Colorant Sunset Yellow with trypsin by Sp...AI Publications
The interaction between food colorant sunset yellow (SY) and trypsin (TRP) was studied by multiple spectroscopic and molecular docking methods and molecular docking simulation under simulated physiological conditions to evaluate the toxic of SY at the protein level. The results showed that SY could effectively quench the endogenous fluorescence of TRP, formed a 1:1 complex. The binding distance (r) between SY and TRP was obtained based on the Förster nonradioactive resonance energy transfer and r was less than 7 nm, which indicated that there was a non-radiative energy transition in the system. The thermodynamic parameters were obtained from the van't Hoff equation, and the Gibbs free energy ΔG<0, indicating that the reaction was spontaneous; ΔH<0, ΔS>0, indicating hydrophobic interaction played a major role in forming the SY-TRP complex. Molecular docking results showed that SY was surrounded by the active amino acid residues Ser195, His57 and Asp102 of TRP, which altered the microenvironment of amino acid residues at the catalytic active center of TRP. Furthermore, as shown by the synchronous fluorescence, UV-Visible absorption and circular dichroism data, SY could lead to the conformational and microenvironmental changes of TRP, which may affect its physiological function.
Application of uv visible spectroscopy in pharmaceutical industryFarhad Ashraf
UV-visible spectroscopy can be used for clinical and pre-clinical applications in cancer diagnosis and analysis. It allows non-invasive measurement of biomarkers like tumor oxygenation, angiogenesis, redox state, and morphology. Spectroscopy measures how light interacts with tissue via absorption and fluorescence of chromophores and fluorophores. This optical signature contains physiologically meaningful information about cancer progression and treatment response that can provide insights not available from traditional pathology. Quantitative optical techniques have the potential to improve cancer management with personalized, molecularly-informed assessments.
This document discusses using ion mobility mass spectrometry to quantify linear impurities in cyclic polylactide samples. It finds that the method was unable to accurately determine low levels of linear contamination, as cyclic ions at lower polymerization degrees were less likely to adopt the triply charged state analyzed. This led to an overestimation of linear content. Considering additional charge states or shifting ion conformations may help address this issue in future work. The document introduces the topic, experimental methods, data analysis, results showing inconsistent quantification at different polymerization degrees, and conclusions about limitations and potential improvements.
Quantitative Analysis of 30 Drugs in Whole Blood by SPE and UHPLC-TOF-MSAnnex Publishers
The document describes the development and validation of an UHPLC-TOF-MS method for the quantitative analysis of 30 drugs in whole blood. Key points:
- The method was used to simultaneously screen for and quantify 30 common drugs and drugs of abuse in blood samples.
- Samples underwent solid phase extraction, were separated via UHPLC and analyzed by TOF-MS. Extraction recoveries ranged from 41-111% and matrix effects ranged from -13% to 50%.
- Calibration curves for each drug showed good linearity. Lower limits of quantification ranged from 0.005-0.05 mg/kg. Accuracy and precision were satisfactory above the LOQ.
- The validated method allows for simultaneous screening
Advances of Cancer Synergic Photo-Therapy: Kinetics and Efficacy_Crimson Publ...CrimsonpublishersCancer
The kinetics and efficacy of anti-cancer via phototherapy are reviewed. Factors influencing the cancer therapy efficiency in both photothermal therapy (PTT) and photodynamic therapy (PDT) using nanogold particles and photosensitizers (PS), respectively, are analyzed. Efficacy of cancer therapy may be enhanced by combining PTT and PDT either activated by one light or two lights. For maximum PTT/PDT synergistic efficacy, the concentration of photosensitizers and nanogold required optimization, besides the wavelength of the light matching the absorption peak of PS and nanogold, and the sequential order of PTT and PDT process. External supply of either photosensitizers or oxygen concentration will significantly improve the anti-cancer efficacy via type-II PDT. The singlet oxygen threshold dose for PDT and cell viability are governed by the product of PS concentration and light dose.
Mass Spectrometry: Protein Identification StrategiesMichel Dumontier
The document discusses protein identification strategies using mass spectrometry, including peptide mass fingerprinting (PMF) and tandem mass spectrometry. PMF involves comparing observed peptide masses from an unknown protein to theoretical masses in a database to identify matches, while tandem mass spectrometry fragments peptides and matches the fragmentation pattern to sequences in the database. The document provides details on how each technique works and their relative advantages and limitations.
An Impact of Biofield Treatment on Spectroscopic Characterization of Pharmace...albertdivis
The stability of any pharmaceutical compound is most desired quality that determines its shelf life and effectiveness.The stability can be correlated to structural and bonding properties of compound and any variation arise in these properties can be easily determined by spectroscopic analysis. The present study was aimed to evaluate the impact of biofield treatment on these properties of four pharmaceutical compounds such as urea, thiourea, sodium carbonate,and magnesium sulphate, using spectroscopic analysis.
I was recently invited to present a poster at the Liverpool John Moores University / Bionow event on 16th May 2017. The interdisciplinary project involved the lung biosimulator to determine the impact of cigarette / e-cigarette smoke on pulmonary surfactant function. My collaborator, Dr Jason Birkett, provided GC / GC-MS support for smoke vapour analysis / quantification. I thought the poster may be of interest to some, hence the post. BW. Mike.
Acoustic Parameters of acetic acid in benzene at 3 MHz.theijes
In present study, Ultrasonic velocity (U) and density (ρ) for binary liquid mixtures of acetic acid with benzene have been measured at 3 MHz ultrasonic frequency at 303K. From this data, acoustic parameters such as adiabatic compressibility (βad), acoustic impedance (Z), relative association (RA) and intermolecular free length (Lf) are calculated. The result is interpreted as per molecular interaction between the mixtures.
An Impact of Biofield Treatment on Spectroscopic Characterization of Pharmace...Mahendra Kumar Trivedi
The present study was aimed to evaluate the impact of biofield treatment on these properties of four pharmaceutical compounds such as urea, thiourea, sodium carbonate, and magnesium sulphate, using spectroscopic analysis.
The document reports the synthesis and characterization of two rhenium complexes: a dinuclear complex fac-(Re(CO)3Br)2(μ-chret) (1) containing the bridging ligand chret, and a mononuclear complex fac-[Re(CO)3(bzch)Br] (2) containing the chelating ligand bzch. Both complexes were characterized using spectroscopic and analytical techniques. Single crystal X-ray diffraction confirmed the solid state structures. Computational methods provided insight into the experimental spectroscopic data and optimized geometries correlated well with experimental structures.
NEAFS_DSA_FTIR_Image_NBOMes and LSD_PosterAmanda Moore
1) FTIR chemical imaging spectroscopy and DSA-TOFMS were used to analyze fortified blotter paper samples containing NBOMe designer drugs and LSD without sample preparation.
2) FTIR was able to spatially separate LSD from paper components using a library match. Preliminary results also separated NBOMe from paper but with lower correlation.
3) High spatial resolution is needed to isolate drugs from paper but limits the analysis area. Additional case samples are needed to validate the method for this matrix.
Mohsen Irandoust is an associate professor in the Department of Chemistry at Razi University in Kermanshah, Iran. He received his Ph.D. in analytical chemistry from Razi University in 2007. His research focuses on NMR spectroscopy studies of molecular complex formation and he has over 40 publications in analytical chemistry journals. Irandoust has received several awards for distinguished research and education from the Department of Chemistry at Razi University.
Gel matrix dependence on the dose response properties and diffusion phenomena...inventionjournals
Fricke-gel dosimeters proved to be suitable tools to perform 3D radiotherapy pre-treatment dosimetry. The tissue equivalent gel matrix helpsto preserve the spatial information of the dose. Several gel matrices proved to be suitable for dosimetric purposes. The influence of the gel matrices on both system dose response and diffusion processwasinvestigated. Three gel matrices were considered: Gelatinfrom porcine skin, Agaroseand polyvinyl alcohol (PVA) cross-linked with glutaraldehyde(GTA). In these systems, Xylenol-Orange (XO), an iron(III)chelator, forms red-colored complexeswith Fe3+ that eases the optical determination of the dose. However, the dose evaluationresults to be affectedbydifferent XO-Fe3+ complexes that absorb at different wavelengths. In particular,this phenomenon influences the dose response, the calibration curveand the dose threshold.Therefore, a deeper study of the XO-Fe3+ speciation mechanism could lead to a more accurate evaluation of the dose. A novel procedure, based on a laser-beam irradiation, was implemented for the diffusion process evaluation. The diffusion coefficients were calculated for the three gel matrices tested. PVAmatrix proved to highly limit the diffusion with respect to the other matrices. Further investigations are needed to verify the influence of XO-Fe3+complexeson the diffusion phenomenon.
Atomic force spectroscopy, a technique derived from Atomic Force Microscopy (AFM), allowed us to distinguish nonspecific and specific interactions between the acetolactate synthase enzyme (ALS) and anti-atrazine antibody biomolecules and the herbicides imazaquin, metsulfuron-methyl and atrazine. The presence of specific interactions increased the adhesion force (Fadh) between the AFM tip and the herbicides, which made the modified tip a powerful biosensor. Increases of approximately 132% and 145% in the Fadh values were observed when a tip functionalized with ALS was used to detect imazaquin and metsulfuron-methyl, respectively. The presence of specific interactions between the atrazine and the anti-atrazine antibody also caused an increase in the Fadh values (approximately 175%) compared to those observed when using an unfunctionalized tip. The molecular modeling results obtained with the ALS enzyme suggest that the orientation of the biomolecule on the tip surface could be suitable for allowing interaction with the herbicides imazaquin and metsulfuron-methyl
Effects of extract of Drymaria cordata on isolated rat liver MMPT poreGloria Okenze
This study investigated the effects of extract of Drymaria cordata, a medicinal plant, on the mitochondrial membrane permeability transition pore (MMPT pore) using isolated rat liver mitochondria. The objectives were to determine if the extract could induce opening of the MMPT pore. Fractions of the methanol extract were tested for their effects on mitochondrial swelling, ATPase activity, and lipid peroxidation in the presence and absence of calcium. The chloroform fraction was found to be the most potent at inducing MMPT pore opening and inhibiting lipid peroxidation. This suggests the chloroform fraction contains compounds that could modulate apoptosis by affecting the mitochondrial membrane and MMPT pore. Further studies are needed to identify active compounds and fully characterize
SPECTROSCOPIC METHOD DEVELOPMENT FOR LOSARTON POTASSIUM IN TABLET By Ninad M...Ninad Phadke
This document summarizes the development of a UV spectroscopic method for the quantitative analysis of losartan potassium in tablet formulations. The method involves establishing the wavelength of maximum absorbance of losartan potassium in solvent, constructing a calibration curve, and using the curve to determine the concentration of losartan potassium in tablet samples. The method was validated through accuracy, precision and recovery studies. Results showed the method is simple, precise, rapid and suitable for routine analysis of losartan potassium in tablets.
1. The study developed a new method for extracting methamphetamine from urine samples using magnetic solid phase extraction with magnetic nano graphene oxide (MNGO) as the adsorbent.
2. MNGO was successfully synthesized and characterized, showing potential for extracting methamphetamine via π-π interactions between its graphene structure and the benzene ring in methamphetamine.
3. Under optimized extraction conditions, the method showed good linearity and sensitivity for quantifying methamphetamine in urine samples, with potential application in forensic analysis of drug-abused subjects.
Carlos Afonso, Université de Rouen, Laboratoire COBRA, Plateau technique C2iorga
In this presentation, Carlos Afonso describes the analysis of polymers and petroleum by ion mobility mass spectrometry and utilises novel sample introduction techniques such as the Atmospheric Solids Analysis Probe (ASAP).
PRISM Spring 2012 drug DNA binding poster Bob Rawal
This study developed a fluorescence-based method to determine the preferential DNA binding modes of drug molecules. Two nucleic acid dyes (TP3 and DAPI) that bind DNA through different modes (intercalation and minor groove binding, respectively) were used in fluorescence quenching assays with 11 drug molecules. The results identified the likelihood of intercalation for each molecule, with netropsin, berenil, pyrocatechol violet, sunset yellow, tartrazine, and new coccine preferentially binding through the minor groove and congo red, janus green, and brilliant blue preferentially binding via intercalation. NMR studies of 3 molecules corroborated the fluorescence assay findings. The method provides
UV-visible spectroscopy can be used for several applications in pharmaceutical analysis including:
1. Detection and quantification of impurities. Absorption peaks from impurities can be detected and compared to standards.
2. Quantitative analysis based on Beer's law, where absorbance is directly proportional to concentration.
3. Qualitative analysis to identify compounds based on their absorption spectra.
4. Structure elucidation of organic molecules by identifying functional groups and degrees of unsaturation from absorption peaks.
Simultaneous loading of 5-florouracil and SPIONs in HSA nanoparticles: Optimi...Nanomedicine Journal (NMJ)
Objective(s): Over the past two decades, considerable interest has been focused on utilizing biocompatible magnetic nanoparticles (MNPs) for biomedical applications. In this study, production of human serum albumin (HSA) nanoparticles using desolvation technique that were simultaneous loaded with high amounts of superparamagnetic iron oxide nanoparticles (SPIONs) and 5-flourouracil (5-FU) was investigated.
Materials and Methods: 5-FU loading (%) and SPIONs entrapment efficiency (%) were optimized using response surface methodology (RSM). The design expert software used to analyse the interactive effects of pH, 5-FU and SPIONs concentrations.
Results:The optimum conditions found to be pH of 8.2, drug concentration of 1.5 mg/ml and SPIONs concentration of 2.79 mg/ml. Under the mentioned optimum conditions, particles with the size of 111.8 nm, zeta potential of -37.1 mV, 5-FU loading of 15.8% and SPIONs entrapment efficiency of 41.1% were obtained. In vitro cumulative release of 5-FU from the nanoparticles was evaluated in phosphate buffer saline (pH 7.4, 37 °C). Results indicated that 85% of the 5-FU released during 95 h, which revealed a sustained release profile. In addition, Vibrating Sample Magnetometer (VSM) analyses confirmed the superparamagnetic properties of magnetic albumin nanoparticles manufactured under the optimum conditions.
Conclusion: According to the findings,SPIONs and 5-FU loaded HAS nanoparticles arepromising for use as novel targeted delivery system due to proper magnetic and drug release behaviours.
This document discusses methods for collecting and processing nuclear magnetic resonance (NMR) and mass spectrometry (MS) data to analyze metabolic fluxes. Wild type E. coli cells were grown with 13C-labeled glucose and harvested. NMR experiments were performed on cell extracts and amino acid mixtures to obtain 1D and 2D spectra. MS data was also collected and analyzed using OpenFLUX software. Isotopomer ratios were calculated from the NMR data using MestReNova and MetaboMiner software. The results provide isotopomer fractions for metabolic flux analysis and demonstrate integrated NMR and MS capabilities for metabolomics.
This study examined the dimerization of the mithramycin analogue MTMSK at physiological salt concentrations through fluorescence spectroscopy titrations. Mithramycin and its analogues are natural products that bind DNA and have shown promise in treating various cancers. The purpose was to determine if an MTMSK dimer forms when complexed with Mg2+ ions at physiological concentrations. Titrations of varying MTMSK concentrations with increasing MgCl2 concentrations showed fluorescence quenching, indicating a shift from monomer to dimer formation. Analysis using a cooperative binding model supported the hypothesis that an MTMSK dimer forms at physiological salt levels. This information helps understand how these drugs work and could aid in developing more effective analogues for cancer
Discovery of active site of vinblastine as application of nanotechnology in m...Nanomedicine Journal (NMJ)
Objective(s):
Vinblastine is antimitotic, anticancer medicine that disturbs normal microtubule formation and favours depolymerisation. Structural study and finding the active site of vinblastine are the targets of this research.
Materials and Methods:
Vinblastine was optimized in vacuum and then in different solvents by Density Functional Theory (DFT) method. Nuclear Magnetic Resonance (NMR) shift measurements were made in different solvents by various dielectric constants by Continuous Set of Gauge Transformations (CSGT).
Results:
The best structure and function of vinblastine was established. The conformational preferences may be attributed to stereoelectronic effects. The results showed that the structure of vinblastine is more stabile in water rather than the other media. The most active atoms of vinblastine were realized by various spectra of vinblastine in different media including vacuum and diverse solvents.
Conclusion:
Discovery of active site of vinblastine that could bind to tubulin to perform the antimitosis and anticancer effect in process of cell division was accomplished in this investigation. These data can be applicable to study the binding site of vinblastine-tubulin complex.
This document summarizes research on electrostatic complexes in polymer materials science. It discusses using non-covalent interactions like π-stacking, coordination via metals, and hydrogen bonding to build supermolecular structures from polymer assemblies. It also describes techniques like layer-by-layer assembly and complex coacervation to encapsulate and pattern materials. The research aims to better understand parameters affecting polyelectrolyte brush structures and interactions through experiments using surface force apparatus.
This document describes a new method called multiple products monitoring (MpM) for quantifying target peptides using liquid chromatography-mass spectrometry (LC-MS). MpM monitors multiple product ions from the MS2 spectra of target peptides, rather than selecting a single product ion as in selected/multiple reaction monitoring. It uses a scoring system based on the intensities of matching product ions between the target and reference MS2 spectra. The authors demonstrate that MpM improves sensitivity and selectivity for peptide quantification compared to conventional approaches.
Antioxidant and-anticancer-activities-of-moringa-leavesSilentdisco Berlin
Moringa is a plantfood of high nutritional value, ecologically and economically beneficial and readily available in the countries hardest hit by the food crisis. http://miracletrees.org/ http://moringatrees.org/
Intermolecular interaction is the material basis for cells to achieve their functions, and protein-protein interaction is an important approach to illuminate the regulation network of biological molecules and has important theoretical significance and potential application value for revealing the activity law of life in nature. This paper mainly summarizes and analyzes the new advances and applications of modern biotechnologies in the study of protein-protein interactions, including local surface plasmon resonance (LSPR), yeast two-hybrid, GST-Pull-down, bimolecular fluorescence complementation, and coimmunoprecipitation. At the same time, the principles of different research methods for protein-protein interaction and their other applications in the field of life sciences are also discussed, all of these will provide a reference value for the analysis of protein-protein interaction and the molecular regulation mechanism of biomacromolecules.
Determination of Riociguat by Oxidative Coupling Using Visible SpectrophotometryRatnakaram Venkata Nadh
A simple spectrophotometric method was developed to determine riociguat in bulk and tablet formulation. The present method lies on the oxidation of MBTH by Fe+3 ions in acidic medium to form active coupling species and followed by its coupling with riociguat to form the chromophore having lmax 660 nm. Validated the proposed method as per the existing guidelines of ICH. Good linearity (r~ 0.999) was observed for calibration curve in the studied concentration range (6.25 – 37.50 μg mL-1). Reproducibility, accuracy and precision of the method were confirmed from low values of % RSD.
Acoustic Parameters of acetic acid in benzene at 3 MHz.theijes
In present study, Ultrasonic velocity (U) and density (ρ) for binary liquid mixtures of acetic acid with benzene have been measured at 3 MHz ultrasonic frequency at 303K. From this data, acoustic parameters such as adiabatic compressibility (βad), acoustic impedance (Z), relative association (RA) and intermolecular free length (Lf) are calculated. The result is interpreted as per molecular interaction between the mixtures.
An Impact of Biofield Treatment on Spectroscopic Characterization of Pharmace...Mahendra Kumar Trivedi
The present study was aimed to evaluate the impact of biofield treatment on these properties of four pharmaceutical compounds such as urea, thiourea, sodium carbonate, and magnesium sulphate, using spectroscopic analysis.
The document reports the synthesis and characterization of two rhenium complexes: a dinuclear complex fac-(Re(CO)3Br)2(μ-chret) (1) containing the bridging ligand chret, and a mononuclear complex fac-[Re(CO)3(bzch)Br] (2) containing the chelating ligand bzch. Both complexes were characterized using spectroscopic and analytical techniques. Single crystal X-ray diffraction confirmed the solid state structures. Computational methods provided insight into the experimental spectroscopic data and optimized geometries correlated well with experimental structures.
NEAFS_DSA_FTIR_Image_NBOMes and LSD_PosterAmanda Moore
1) FTIR chemical imaging spectroscopy and DSA-TOFMS were used to analyze fortified blotter paper samples containing NBOMe designer drugs and LSD without sample preparation.
2) FTIR was able to spatially separate LSD from paper components using a library match. Preliminary results also separated NBOMe from paper but with lower correlation.
3) High spatial resolution is needed to isolate drugs from paper but limits the analysis area. Additional case samples are needed to validate the method for this matrix.
Mohsen Irandoust is an associate professor in the Department of Chemistry at Razi University in Kermanshah, Iran. He received his Ph.D. in analytical chemistry from Razi University in 2007. His research focuses on NMR spectroscopy studies of molecular complex formation and he has over 40 publications in analytical chemistry journals. Irandoust has received several awards for distinguished research and education from the Department of Chemistry at Razi University.
Gel matrix dependence on the dose response properties and diffusion phenomena...inventionjournals
Fricke-gel dosimeters proved to be suitable tools to perform 3D radiotherapy pre-treatment dosimetry. The tissue equivalent gel matrix helpsto preserve the spatial information of the dose. Several gel matrices proved to be suitable for dosimetric purposes. The influence of the gel matrices on both system dose response and diffusion processwasinvestigated. Three gel matrices were considered: Gelatinfrom porcine skin, Agaroseand polyvinyl alcohol (PVA) cross-linked with glutaraldehyde(GTA). In these systems, Xylenol-Orange (XO), an iron(III)chelator, forms red-colored complexeswith Fe3+ that eases the optical determination of the dose. However, the dose evaluationresults to be affectedbydifferent XO-Fe3+ complexes that absorb at different wavelengths. In particular,this phenomenon influences the dose response, the calibration curveand the dose threshold.Therefore, a deeper study of the XO-Fe3+ speciation mechanism could lead to a more accurate evaluation of the dose. A novel procedure, based on a laser-beam irradiation, was implemented for the diffusion process evaluation. The diffusion coefficients were calculated for the three gel matrices tested. PVAmatrix proved to highly limit the diffusion with respect to the other matrices. Further investigations are needed to verify the influence of XO-Fe3+complexeson the diffusion phenomenon.
Atomic force spectroscopy, a technique derived from Atomic Force Microscopy (AFM), allowed us to distinguish nonspecific and specific interactions between the acetolactate synthase enzyme (ALS) and anti-atrazine antibody biomolecules and the herbicides imazaquin, metsulfuron-methyl and atrazine. The presence of specific interactions increased the adhesion force (Fadh) between the AFM tip and the herbicides, which made the modified tip a powerful biosensor. Increases of approximately 132% and 145% in the Fadh values were observed when a tip functionalized with ALS was used to detect imazaquin and metsulfuron-methyl, respectively. The presence of specific interactions between the atrazine and the anti-atrazine antibody also caused an increase in the Fadh values (approximately 175%) compared to those observed when using an unfunctionalized tip. The molecular modeling results obtained with the ALS enzyme suggest that the orientation of the biomolecule on the tip surface could be suitable for allowing interaction with the herbicides imazaquin and metsulfuron-methyl
Effects of extract of Drymaria cordata on isolated rat liver MMPT poreGloria Okenze
This study investigated the effects of extract of Drymaria cordata, a medicinal plant, on the mitochondrial membrane permeability transition pore (MMPT pore) using isolated rat liver mitochondria. The objectives were to determine if the extract could induce opening of the MMPT pore. Fractions of the methanol extract were tested for their effects on mitochondrial swelling, ATPase activity, and lipid peroxidation in the presence and absence of calcium. The chloroform fraction was found to be the most potent at inducing MMPT pore opening and inhibiting lipid peroxidation. This suggests the chloroform fraction contains compounds that could modulate apoptosis by affecting the mitochondrial membrane and MMPT pore. Further studies are needed to identify active compounds and fully characterize
SPECTROSCOPIC METHOD DEVELOPMENT FOR LOSARTON POTASSIUM IN TABLET By Ninad M...Ninad Phadke
This document summarizes the development of a UV spectroscopic method for the quantitative analysis of losartan potassium in tablet formulations. The method involves establishing the wavelength of maximum absorbance of losartan potassium in solvent, constructing a calibration curve, and using the curve to determine the concentration of losartan potassium in tablet samples. The method was validated through accuracy, precision and recovery studies. Results showed the method is simple, precise, rapid and suitable for routine analysis of losartan potassium in tablets.
1. The study developed a new method for extracting methamphetamine from urine samples using magnetic solid phase extraction with magnetic nano graphene oxide (MNGO) as the adsorbent.
2. MNGO was successfully synthesized and characterized, showing potential for extracting methamphetamine via π-π interactions between its graphene structure and the benzene ring in methamphetamine.
3. Under optimized extraction conditions, the method showed good linearity and sensitivity for quantifying methamphetamine in urine samples, with potential application in forensic analysis of drug-abused subjects.
Carlos Afonso, Université de Rouen, Laboratoire COBRA, Plateau technique C2iorga
In this presentation, Carlos Afonso describes the analysis of polymers and petroleum by ion mobility mass spectrometry and utilises novel sample introduction techniques such as the Atmospheric Solids Analysis Probe (ASAP).
PRISM Spring 2012 drug DNA binding poster Bob Rawal
This study developed a fluorescence-based method to determine the preferential DNA binding modes of drug molecules. Two nucleic acid dyes (TP3 and DAPI) that bind DNA through different modes (intercalation and minor groove binding, respectively) were used in fluorescence quenching assays with 11 drug molecules. The results identified the likelihood of intercalation for each molecule, with netropsin, berenil, pyrocatechol violet, sunset yellow, tartrazine, and new coccine preferentially binding through the minor groove and congo red, janus green, and brilliant blue preferentially binding via intercalation. NMR studies of 3 molecules corroborated the fluorescence assay findings. The method provides
UV-visible spectroscopy can be used for several applications in pharmaceutical analysis including:
1. Detection and quantification of impurities. Absorption peaks from impurities can be detected and compared to standards.
2. Quantitative analysis based on Beer's law, where absorbance is directly proportional to concentration.
3. Qualitative analysis to identify compounds based on their absorption spectra.
4. Structure elucidation of organic molecules by identifying functional groups and degrees of unsaturation from absorption peaks.
Simultaneous loading of 5-florouracil and SPIONs in HSA nanoparticles: Optimi...Nanomedicine Journal (NMJ)
Objective(s): Over the past two decades, considerable interest has been focused on utilizing biocompatible magnetic nanoparticles (MNPs) for biomedical applications. In this study, production of human serum albumin (HSA) nanoparticles using desolvation technique that were simultaneous loaded with high amounts of superparamagnetic iron oxide nanoparticles (SPIONs) and 5-flourouracil (5-FU) was investigated.
Materials and Methods: 5-FU loading (%) and SPIONs entrapment efficiency (%) were optimized using response surface methodology (RSM). The design expert software used to analyse the interactive effects of pH, 5-FU and SPIONs concentrations.
Results:The optimum conditions found to be pH of 8.2, drug concentration of 1.5 mg/ml and SPIONs concentration of 2.79 mg/ml. Under the mentioned optimum conditions, particles with the size of 111.8 nm, zeta potential of -37.1 mV, 5-FU loading of 15.8% and SPIONs entrapment efficiency of 41.1% were obtained. In vitro cumulative release of 5-FU from the nanoparticles was evaluated in phosphate buffer saline (pH 7.4, 37 °C). Results indicated that 85% of the 5-FU released during 95 h, which revealed a sustained release profile. In addition, Vibrating Sample Magnetometer (VSM) analyses confirmed the superparamagnetic properties of magnetic albumin nanoparticles manufactured under the optimum conditions.
Conclusion: According to the findings,SPIONs and 5-FU loaded HAS nanoparticles arepromising for use as novel targeted delivery system due to proper magnetic and drug release behaviours.
This document discusses methods for collecting and processing nuclear magnetic resonance (NMR) and mass spectrometry (MS) data to analyze metabolic fluxes. Wild type E. coli cells were grown with 13C-labeled glucose and harvested. NMR experiments were performed on cell extracts and amino acid mixtures to obtain 1D and 2D spectra. MS data was also collected and analyzed using OpenFLUX software. Isotopomer ratios were calculated from the NMR data using MestReNova and MetaboMiner software. The results provide isotopomer fractions for metabolic flux analysis and demonstrate integrated NMR and MS capabilities for metabolomics.
This study examined the dimerization of the mithramycin analogue MTMSK at physiological salt concentrations through fluorescence spectroscopy titrations. Mithramycin and its analogues are natural products that bind DNA and have shown promise in treating various cancers. The purpose was to determine if an MTMSK dimer forms when complexed with Mg2+ ions at physiological concentrations. Titrations of varying MTMSK concentrations with increasing MgCl2 concentrations showed fluorescence quenching, indicating a shift from monomer to dimer formation. Analysis using a cooperative binding model supported the hypothesis that an MTMSK dimer forms at physiological salt levels. This information helps understand how these drugs work and could aid in developing more effective analogues for cancer
Discovery of active site of vinblastine as application of nanotechnology in m...Nanomedicine Journal (NMJ)
Objective(s):
Vinblastine is antimitotic, anticancer medicine that disturbs normal microtubule formation and favours depolymerisation. Structural study and finding the active site of vinblastine are the targets of this research.
Materials and Methods:
Vinblastine was optimized in vacuum and then in different solvents by Density Functional Theory (DFT) method. Nuclear Magnetic Resonance (NMR) shift measurements were made in different solvents by various dielectric constants by Continuous Set of Gauge Transformations (CSGT).
Results:
The best structure and function of vinblastine was established. The conformational preferences may be attributed to stereoelectronic effects. The results showed that the structure of vinblastine is more stabile in water rather than the other media. The most active atoms of vinblastine were realized by various spectra of vinblastine in different media including vacuum and diverse solvents.
Conclusion:
Discovery of active site of vinblastine that could bind to tubulin to perform the antimitosis and anticancer effect in process of cell division was accomplished in this investigation. These data can be applicable to study the binding site of vinblastine-tubulin complex.
This document summarizes research on electrostatic complexes in polymer materials science. It discusses using non-covalent interactions like π-stacking, coordination via metals, and hydrogen bonding to build supermolecular structures from polymer assemblies. It also describes techniques like layer-by-layer assembly and complex coacervation to encapsulate and pattern materials. The research aims to better understand parameters affecting polyelectrolyte brush structures and interactions through experiments using surface force apparatus.
This document describes a new method called multiple products monitoring (MpM) for quantifying target peptides using liquid chromatography-mass spectrometry (LC-MS). MpM monitors multiple product ions from the MS2 spectra of target peptides, rather than selecting a single product ion as in selected/multiple reaction monitoring. It uses a scoring system based on the intensities of matching product ions between the target and reference MS2 spectra. The authors demonstrate that MpM improves sensitivity and selectivity for peptide quantification compared to conventional approaches.
Antioxidant and-anticancer-activities-of-moringa-leavesSilentdisco Berlin
Moringa is a plantfood of high nutritional value, ecologically and economically beneficial and readily available in the countries hardest hit by the food crisis. http://miracletrees.org/ http://moringatrees.org/
Intermolecular interaction is the material basis for cells to achieve their functions, and protein-protein interaction is an important approach to illuminate the regulation network of biological molecules and has important theoretical significance and potential application value for revealing the activity law of life in nature. This paper mainly summarizes and analyzes the new advances and applications of modern biotechnologies in the study of protein-protein interactions, including local surface plasmon resonance (LSPR), yeast two-hybrid, GST-Pull-down, bimolecular fluorescence complementation, and coimmunoprecipitation. At the same time, the principles of different research methods for protein-protein interaction and their other applications in the field of life sciences are also discussed, all of these will provide a reference value for the analysis of protein-protein interaction and the molecular regulation mechanism of biomacromolecules.
Determination of Riociguat by Oxidative Coupling Using Visible SpectrophotometryRatnakaram Venkata Nadh
A simple spectrophotometric method was developed to determine riociguat in bulk and tablet formulation. The present method lies on the oxidation of MBTH by Fe+3 ions in acidic medium to form active coupling species and followed by its coupling with riociguat to form the chromophore having lmax 660 nm. Validated the proposed method as per the existing guidelines of ICH. Good linearity (r~ 0.999) was observed for calibration curve in the studied concentration range (6.25 – 37.50 μg mL-1). Reproducibility, accuracy and precision of the method were confirmed from low values of % RSD.
Determination of Riociguat by Oxidative Coupling Using Visible SpectrophotometryRatnakaram Venkata Nadh
This document describes a simple spectrophotometric method developed to determine the drug riociguat in bulk and tablet formulations. The method is based on the oxidation of MBTH by Fe+3 ions in acidic medium, which forms an active coupling species. This species then couples with riociguat to form a chromophore with a maximum absorption at 660 nm. The method was validated according to ICH guidelines and showed good linearity, reproducibility, accuracy, and precision for the determination of riociguat.
This thesis examines the use of quantum mechanical modeling to understand organic compound sorption reactions with iron oxides. The student used computational modeling software to calculate the relative Gibbs free energy of selected organic acids sorbing to iron oxides. Theoretical spectra generated from the modeling were evaluated against previous experimental IR spectra to validate the modeling approach. Overall, the research aims to demonstrate that advanced quantum mechanical modeling is an effective technique for predicting sorption mechanisms and understanding organic contaminant behavior in the environment.
Quantitative Evaluation of Dissociation Mechanisms in Methylorange and MethylredAI Publications
Several computational chemistry programs were evaluated as aids to teaching a part of qualitative analytical chemistry. Computational chemical calculations can predict absorption spectra, thus enabling the modeling of indicator dissociation mechanisms using a personal computer. An updated MNDO program among 51 programs was previously found to be the best predictor to explain the dissociation mechanisms of isobenzofuranones and sulfonephthaleins. Therefore, the further quantitative analysis was performed for methyl-orange and methyl-red. Computational chemical analysis can be used for quantitative explanation of indicator dissociation mechanisms.
Quantitative Evaluation of Dissociation Mechanisms in Methylorange and MethylredAI Publications
This document discusses using computational chemistry programs to quantitatively evaluate the dissociation mechanisms of the indicators methyl orange and methyl red. It finds that the MNDO program best predicts their absorption spectra and electron density maps. The study calculates the resonance structures and spectra of methyl orange and methyl red using different programs. It determines that combinations of MNDO with CI or ZINDO provide the best results for visualizing the color change mechanisms of these indicators. While improvements are still needed, computational chemistry can help teach qualitative analytical chemistry concepts in a quantitative way.
This document provides an introduction to various bioanalytical instrumentation techniques including chromatography, spectroscopy, and microscopy. It describes the basic principles of column chromatography, ion exchange chromatography, size exclusion chromatography, affinity chromatography, high performance liquid chromatography, gas chromatography, ultraviolet-visible spectroscopy, circular dichroism spectroscopy, infrared spectroscopy, and light and electron microscopy. The key applications of these techniques include separating, identifying, quantifying, and characterizing biomolecules, cells, and other biological samples.
Applications of mass spectrometry.seminar.pptxAsif Shaikh
The document discusses various applications of mass spectrometry including molecular mass determination, identification of elements through isotopic ratios, isotopic abundance determination, isotopic dilution methods, distinguishing between cis and trans isomers, evaluation of heat sublimation, environmental analysis, forensic analysis, clinical research applications like drug screening and disease biomarker detection, protein identification, protein sequencing, determination of ionization potential and bond dissociation energies, and impurity detection. Mass spectrometry is widely used across many fields due to its high sensitivity and selectivity.
chitosan nanoparticles synthesis and application in various fields i.e. biocompatible fruit preservatives, water treatment with non toxic substrate, cotton functionalization, etc.
Formulation and Evaluation of Moxifloxacin Loaded Alginate Chitosan Nanoparti...pharmaindexing
This document describes the formulation and evaluation of moxifloxacin-loaded alginate-chitosan nanoparticles for treating tuberculosis. Moxifloxacin nanoparticles were prepared using an ionic gelation method with varying polymer ratios and drug concentrations. Formulation MF3, with a drug concentration of 50 mg, exhibited the highest encapsulation efficiency, drug loading, and rate of recovery. In vitro drug release from MF3 was sustained over 96 hours with no significant changes observed after 3 months of stability testing. Scanning electron microscopy confirmed the nanoparticles had a discrete spherical structure without aggregation.
The researchers developed genetic constructs expressing different combinations of the Lux bioluminescence genes in yeast to identify the rate-limiting steps. They used a mathematical model and in vitro kinetic data to simulate substrate concentrations and light production for each construct. Experimental results showed that overexpressing LuxE and LuxC increased light output the most by elevating aldehyde production. Overexpressing LuxD increased fatty acid levels but reduced aldehyde and light, suggesting LuxD saturation limits the LuxEC complex. Mapping metabolic pathways indicated light production draws key metabolites from growth pathways.
The document discusses various biomolecular interaction analysis (BIA) techniques for studying interactions between biomolecules and small molecules. It begins with an introduction to BIA and its importance for understanding biology, drug discovery, and diagnostics. The document then outlines and describes several BIA techniques categorized as biochemistry and biophysics methods, molecular methods, computer-aided techniques, and novel creative approaches. Specific techniques discussed in detail include fluorescence spectroscopy, circular dichroism spectroscopy, nuclear magnetic resonance spectroscopy, mass spectrometry, and isothermal titration calorimetry. The document provides information on the principles, applications, advantages, and limitations of each technique.
Chitosan nanoparticles were developed as a carrier for the anti-HIV drug zidovudine (AZT) to address its short plasma half-life and dose-dependent toxicities. Chitosan-tripolyphosphate nanoparticles loaded with AZT were prepared using ionic cross-linking. Characterization showed the nanoparticles were spherical and around 250nm in diameter. The release rate of AZT from the nanoparticles depended on factors like the chitosan molecular weight, initial AZT concentration, and amount of tripolyphosphate used.
Mass spectrometry is a powerful analytical technique that involves converting samples into gaseous ions and characterizing them by their mass-to-charge ratios. It consists of three major components: an ion source that produces gaseous ions, an analyzer that separates ions by mass, and a detector that measures ion abundance. Mass spectrometry is used to analyze biomolecules like glycans, lipids, proteins, peptides, and oligonucleotides by determining properties like molecular weight and structure. Software tools aid in interpreting mass spectrometry data and identifying unknown compounds and modifications.
Interaction of Components in Molecular Optoelectronics for the Next Generati...Scientific Review SR
The interaction of molecular optoelectronic components on the molecular scale were studied where
the solvent shell indicating the influence of the medium was found to be surprisingly small. The transport of
energy as resonant energy transfer covers distances of about 5 nm and was shown not to proceed by a simple to
dipole dipole interaction with typical restrictions, but by a more complex mechanism. Furthermore, a novel -type of
far-reaching interactions of electronically excited structures until macroscopic dimensions were fond and may be
applied for addressing molecular structures by conventional electronics
1) The document describes a study on using mesoporous metal-organic frameworks (MOFs) as nanocarriers for controlled drug release in chemotherapy. Zirconium-based MOF nanoparticles were synthesized to carry and release doxorubicin and cisplatin.
2) The MOF nanoparticles were found to have high drug loading capacity and provided controlled release of the chemotherapeutic drugs through their porous structure. In vitro tests showed the drugs were effectively released and reduced cancer cell viability.
3) The results suggest mesoporous MOFs have potential as nanocarriers for chemotherapy by improving drug pharmacokinetics and maximizing effectiveness through controlled release at tumor sites.
1) The document presents a model to quantify interspur interactions (interactions between radiolytic species from different particle tracks) as a function of irradiation parameters like dose, dose rate, and linear energy transfer.
2) The model represents each particle track as a "spur" with a spatiotemporal distribution and decay defined by a reaction-diffusion equation. It calculates the overlap between spurs to quantify interspur interaction.
3) Preliminary results suggest a minimum critical dose and dose rate are needed for significant interspur interaction. Higher dose rates and lower linear energy transfers may increase interspur interaction by altering the temporal distribution of spurs. This could potentially explain the mechanism behind the FLASH effect of tissue spar
Determination of metronidazole from the solid dosage formAtai Rabby
Metronidazole is determined or assayed spectrophotometrically as the present methods abbeys Beer’s Law in the concentration range of 100-150 µg at about 500nm. By using the absorbance of standard solution of Metronidazole, the unknown amount of this drug in the sample can be calculated. The unknown amount of metronidazole is generally calculated by drawing the standard curve.
1. The authors demonstrated lasing of indocyanine green (ICG) in human serum and whole blood for the first time.
2. ICG is the only near-infrared dye approved by the FDA for clinical use. When injected into blood, ICG binds to proteins and lipoproteins, enhancing its fluorescence.
3. Laser emission from ICG was achieved in human serum and whole blood using clinically relevant ICG concentrations and pump intensities below safety limits. This marks progress toward applications of optofluidic lasers using FDA-approved dyes in clinical and biomedical settings.
Similar to Spectroscopic Study on the Interaction between Mobic and Lysozyme (20)
The Statutory Interpretation of Renewable Energy Based on Syllogism of Britis...AI Publications
The current production for energy consumption generates harmful impacts of carbon dioxide to the environment causing instability to sustainable development goals. The constitutional reforms of British Government serve to be an important means of resolving any encountered incompatibilities to political environment. This study aims to evaluate green economy using developed equation for renewable energy towards political polarization of corporate governance. The Kano Model Assessment is used to measure the equivalency of 1970 Patents Act to UK Intellectual Property tabulating the criteria for the fulfillment of sustainable development goals in respect to the environment, artificial intelligence, and dynamic dichotomy of administrative agencies and presidential restriction, as statutory interpretation development to renewable energy. The constitutional forms of British government satisfy the sustainable development goals needed to fight climate change, advocate healthy ecosystem, promote leadership of magnates, and delegate responsibilities towards green economy. The presidential partisanship must be observed to delineate parties of concerns and execute the government prescriptions in equivalence to the dichotomous relationship of technology and the environment in fulfilling the rights and privileges of all citizens. Hence, the political elites can execute corporate governance towards sustainable development of renewable energy promoting environmental parks and zero emission target of carbon dioxide discharges. The economic theory developed in statutory interpretation for renewable energy serves as a tool to reduce detrimental impacts of carbon dioxide to the environment, mitigate climate change, and produce artefacts of bioenergy and artificial intelligence promoting sustainable development. It is suggested to explore other vulnerabilities of artificial intelligence to prosper economic success.
Enhancement of Aqueous Solubility of Piroxicam Using Solvent Deposition SystemAI Publications
Piroxicam is a non-steroidal anti-inflammatory drug that is characterized by low solubility-high permeability. The present study was designed to improve the dissolution rate of piroxicam at the physiological pH's through its increased solubility by using solvent deposition system.
Analysis of Value Chain of Cow Milk: The Case of Itang Special Woreda, Gambel...AI Publications
Ethiopia has a long and rich history of dairy farming, which was mostly carried out by small and marginal farmers who raised cattle, camels, goats, and sheep, among other species, for milk. Finding the Itang Special Woreda cow milk value chain is the study's main goal. In order to gather primary data, 204 smallholder dairy farmer households were randomly selected, and the market concentration ratio was calculated using 20 traders. Descriptive statistics, econometric models, and rank analysis were used to achieve the above specified goals. Out of all the participants in the milk value chain, producers, cafés, hotels, and dairy cooperatives had the largest gross marketing margins, accounting for 100% of the consumer price in channels I and II, 55% in channels III and V, and 25.5% in channels V. The number of children under five, the number of milking cows owned, the amount of money from non-dairy sources, the frequency of extension service contacts, the amount of milk produced each day, and the availability of market information were found to have an impact on smallholders' involvement in the milk market. Numerous obstacles also limited the amount of milk produced and marketed. The poll claims that general health issues, sickness, predators, and a lack of veterinary care are plaguing farmers. In order to address the issue of milk perishability, the researchers recommended the host community and organization to construct an agro milk processor, renovate the dairy cooperative in the study region, and restructure the current conventional marketing to lower the transaction and cost of milk marketing.
Minds and Machines: Impact of Emotional Intelligence on Investment Decisions ...AI Publications
In the evolving landscape of financial decision-making, this study delves into the intricate relationships among Emotional Intelligence (EI), Artificial Intelligence (AI), and Investment Decisions (ID). By scrutinizing the direct influence of human emotional intelligence on investment choices and elucidating the mediating role of AI in this process, our research seeks to unravel the complex interplay between minds and machines. Through empirical analysis, we reveal that EI not only directly impacts ID but also exerts its influence indirectly through AI-mediated pathways. The findings underscore the pivotal role of emotional awareness in investor decision-making, augmented by the technological capabilities of AI. It suggests that most investors are influenced by the identified emotional intelligence when making investment decisions. Furthermore, AI substantially impacts investors' decision-making process when it comes to investing; nevertheless, AI partially mediates the relationship between emotional intelligence and investment decisions. This nuanced understanding provides valuable insights for financial practitioners, policymakers, and researchers, emphasizing the need for holistic strategies that integrate emotional and technological dimensions in navigating the intricacies of modern investment landscapes. As the synergy between human intuition and artificial intelligence becomes increasingly integral to financial decision-making, this study contributes to the ongoing discourse on the symbiotic relationship between minds and machines in investments.0
Bronchopulmonary cancers are common cancers with a poor prognosis. It is the leading cause of death by cancer in Algeria and in the world. Behind this unfavorable prognosis hides numerous disparities according to age, sex, and exposure to risk factors, ranking 4th among incident cancers and developing countries including Algeria, all sexes combined. It ranks 2nd cancers in men and 3rd among women. Whatever the age observed, the incidence of this cancer is higher in men than in women, however the gap is narrowing to the detriment of the latter. The results of scientific research agree to relate trends in incidence and mortality rates to tobacco consumption, including passive smoking. Furthermore, other risk factors are mentioned such as exposure to asbestos in the workplace or to radon for the general population, or even genetic predisposition. However, the weight of these etiological and/or predisposing factors is in no way comparable to that of tobacco in the genesis of lung cancer and the resulting mortality. We provide a literature review in our article on the descriptive and analytical epidemiology of lung cancer.
Further analysis on Organic agriculture and organic farming in case of Thaila...AI Publications
The objective of this paper is to present Further analysis on Organic agriculture and organic farming in case of Thailand agriculture and enhancing farmer productivity. In view of the demand for organic fertilizers, efforts should also be made to enhance and to develop more effective of compost, bio-fertilizer, and bio-pesticides currently used by farmers. Likewise, emphasis should also be laid on the cultivation of legumes and other crops that can enhance the fertility of the soil, as practiced by farmers in many developing countries to fertilize their lands. On the other hand, most of the farmers who practice this farm system found that they are adopting a number of SLMs and interested in joining the meeting or training to gain more and more knowledge.
Current Changes in the Role of Agriculture and Agri-Farming Structures in Tha...AI Publications
The objective os this study is to present Current Changes in the Role of Agriculture and Agri-Farming Structures in Thailand and Vietnam with SLM practices. Farmer’s adoption and investment in SLM is a key for controlling land degradation, enhancing the well-being of society, and ensuring the optimal use of land resources for the benefit of present and future generations (World Bank, 2006; FAO, 2018). And agriculture remains an essential element of lives of many farmers in term of the strong cultural and symbolic values that attach current working generation to do and to spend time for it but not intern of income generating.
Growth, Yield and Economic Advantage of Onion (Allium cepa L.) Varieties in R...AI Publications
Haphazard and low soil fertility, low yielding verities and poor agronomic practices are among the major factors constraining onion production in the central rift valley of Ethiopia. Therefore, a field experiment was conducted in East Showa Zone of Adami Tulu Jido Combolcha district in central rift valley areas at ziway from October 2021 to April 2022 to identify appropriate rate of NPSB fertilizer and planting pattern of onion varieties. The experiment was laid out in split plot design of factorial arrangement in three replications. The main effect of NPSB blended fertilizer rates and varieties (red coach and red king) significantly (p<0.01) influenced plant height, leaf length, leaf diameter, leaf number and fresh leaf weight, shoot dry matter per plant, and harvest index. Total dry biomass, bulb diameter, neck diameter, average fresh bulb weight, bulb dry matter, marketable bulb yield, and total bulb yield were significantly (p<0.01) influenced only by the main effect of NPSB blended fertilizer rates. In addition, unmarketable bulb yield was statistically significantly affected (p≥0.05) by the blended fertilizer rates and planting pattern. Moreover, days to 90% maturity of onion was affected by the main factor of NPSB fertilizer rate, variety and planting pattern. The non-fertilized plants in the control treatment were inferior in all parameters except unmarketable bulb yield and harvest index. Significantly higher marketable bulb yield (41 t ha-1) and total bulb yield (41.33 t ha-1) was recorded from 300 kg ha-1 NPSB blended fertilizer rate applied. Double row planting method and hybrid red coach onion variety had also gave higher growth and yields. The study revealed that the highest net benefit of Birr, 878,894 with lest cost of Birr 148,006 by the combinations of 150 kg blended NPSB ha-1 with double row planting method (40cm*20cm*7cm) and red coach variety which can be recommendable for higher marketable bulb yield and economic return of hybrid onion for small scale farmers in the study area. Also, for resource full producers (investors), highest net benefit of Birr 1,205,372 with higher cost (159,628 Birr) by application of 300 kg NPSB ha-1 is recommended as a second option. However, the research should be replicated both in season and areas to more verify the recommendations.
Evaluation of In-vitro neuroprotective effect of Ethanolic extract of Canariu...AI Publications
The ethanolic extract of canarium solomonense leaves (ecsl) was studied for its neuroprotective activity. The neuroprotective activity of ECSL was found to have a significant impact on neuronal cell death triggered by hydrogen peroxide (MTT assay) in human SH-SY5Y neuroblastoma cells. Scopolamine, a muscarinic receptor blocker, is frequently used to induce cognitive impairment in laboratory animals. Injections of scopolamine influence multiple cognitive functions, including motor function, short-term memory, and attention. Using the Morris water maze, the Y maze, and the passive avoidance paradigm, memory enhancing activity in scopolamine-induced amnesic rats was evaluated. Using the Morris water maze, the Y maze, and the passive avoidance paradigm, ECSL was found to have a substantial effect on the memory of scopolamine- induced amnesic rats. Our experimental data indicated that ECSL can reverse scopolamine induced amnesia and assist with memory issues.
The goal of neuroprotection is to shield neurons against damage, whether that damage is caused by environmental factors, pathogens, or neurodegenerative illnesses. Inhibiting protein-based deposit buildup, oxidative stress, and neuroinflammation, as well as rectifying abnormalities of neurotransmitters like dopamine and acetylcholine, are some of the ways in which medicinal herbs have neuroprotective effects [1-3]. This review will focus on the ways in which medicinal herbs may protect neurons.
A phytochemical and pharmacological review on canarium solomonenseAI Publications
The genus Canarium L. consists of 75 species of aromatic trees which are found in the rainforests of tropical Asia, Africa and the Pacific. The medicinal uses, botany, chemical constituents and pharmacological activities are now reviewed. Various compounds are tabulated according to their classes their structures are given. Traditionally canarium solomonense have been used to treat a broad array of illnesses. Pharmacological actions for canarium solomonense as discussed in this review include antibacterial, antimicrobial, antioxidant, anti-inflammatory, hepatoprotective and antitumor activity.
Influences of Digital Marketing in the Buying Decisions of College Students i...AI Publications
This research investigates the influence of digital marketing channels on purchasing decisions among college students in Ramanathapuram District. The study highlights that social media marketing, online advertising, and mobile marketing exhibit substantial positive effects on purchase decisions. However, email marketing's impact appears to be more complex. Moreover, the study explores how demographic variables like gender and academic level shape these effects. Notably, freshman students display varying susceptibility to specific digital marketing messages compared to their junior, senior, or graduate counterparts. These findings offer crucial insights for marketers aiming to tailor their strategies effectively to the preferences and behaviors of college students. By understanding the differential impacts of various digital marketing channels and considering demographic nuances, marketers can refine their approaches, optimize engagement, and ultimately enhance the effectiveness of their campaigns in targeting this demographic.
A Study on Performance of the Karnataka State Cooperative Agriculture & Rural...AI Publications
The Karnataka State Co-operative Agriculture and Rural Development Bank Limited is the apex bank of all the primary co-operative agriculture and rural development banks in the state. All the PCARD Banks in the state are affiliated to it. The KSCARD Bank provides financial accommodation to the PCARD Banks for their lending operations. In order to quick sanction and disbursement of loans and supervision over the PCARD Banks the KSCARD Bank has opened district level branches. Bank has established Women Development Cell to promote entrepreneurship among women in 2005. The Bank is identifying women borrowers in the rural areas by assigning suitable projects to motivate their self-confidence to lead independent life. Progress made in financing women entrepreneurs women.
Breast hamartoma is a rare, well-circumscribed, benign lesion made up of a variable quantity of glandular, adipose and fibrous tissue. This is a lesion that can affect women at any age from puberty. With the increasingly frequent use of imaging methods such as mammography and ultrasound as well as breast biopsy, cases of hamartoma diagnosed are increasing. The diagnosis of these lesions is made by mammography. The histological and radiological aspects are variable and depend on its adipose tissue content. The identification of these lesions is important in order to avoid surgical excisions. We report radio-clinical and pathological records of breast hamartoma.
A retrospective study on ovarian cancer with a median follow-up of 36 months ...AI Publications
Ovarian cancer is relatively common but serious and has a poor prognosis. The aim of this study is to highlight the epidemiological, diagnostic, therapeutic and evolutionary aspects of this malignant pathology managed at the Bejaia university hospital center. This is a retrospective and descriptive study over a period of 3 years (2019 - 2022) carried out on 20 patients who developed ovarian cancer. The average age of the patients was 50 years old, 53.23% of whom were over 45 years old. The CA-125 blood test was positive in 18 out of 20 patients. The tumors were discovered on ultrasound in 87.10% of cases and at laparotomy in 12.90%. Total hysterectomy with bilateral adnexectomy was the most performed procedure (64.52%). The early postoperative course was simple. 15 patients underwent second look surgery (16.13%) for locoregional recurrences. Epithelial tumors were the most frequent histological type (93.55%), including 79% in the advanced stage ( IIIc -IV) and 21% in the early stage (Ia- Ib ). Adjuvant chemotherapy was administered in 80% of patients. With a median follow-up of 36 months, 2 patients were lost to follow-up. The evolution was favorable in 27.42% and in 25.81% deaths occurred late postoperatively. Ovarian cancer is not common but serious given the advanced stages and the high rate of late postoperative deaths which were largely observed in patients deprived of adequate neoadjuvant or adjuvant chemotherapy.
More analysis on environment protection and sustainable agriculture - A case ...AI Publications
This study presents a case of tea and coffee crops , esp. environment protection and sustainable agriculture in Son La and Thai Nguyen of Vietnam. Research results show us that The process of having an agricultural product goes through many steps such as planting, planning, harvesting, packing, transporting, storing and distributing. - The State adopts policies to encourage innovation of agricultural production models and methods towards sustainability, adapting to climate change, saving water, and limiting the use of inorganic fertilizers and pesticides. chemicals and products for environmental treatment in agriculture; develop environmentally friendly agricultural models. Our research limitation is that we can expand for other crops, industries and markets as well.
Assessment of Growth and Yield Performance of Twelve Different Rice Varieties...AI Publications
The present investigation entitled “Assessment of growth and yield performance of twelve different rice varieties under north Konkan coastal zone of Maharashtra” was carried out during the kharif season of the year 2021 and 2022 on the field of ASPEE, Agricultural Research and Development Foundation, Tansa Farm, At Nare, Taluka Wada, District Palghar, Maharashtra, India. The experiment was laid out in Randomized Block Design (RBD). The twelve varieties namely Zini, Jaya, Dandi, Rahghudya, Govindbhog, Dangi, Gurjari, VNR-7, VNR-8, VNR-9, Karjat-3, and Karjat-5 were replicated thrice. The plant height (cm), number of tillers per plant, number of panicles per plant, number of panicles (m²), and length of panicle (cm) were noted to the maximum with cv. “VNR-7”. The highest number of seeds per panicle, test weight (gm), grain yield (q/ha), and straw yield (q/ha) were recorded with the cv. “VNR-7”. While the lowest number of days to 50% flowering was also recorded with cv. “VNR-7” during the year 2021 and 2022.
Cultivating Proactive Cybersecurity Culture among IT Professional to Combat E...AI Publications
In the current digital landscape, cybercriminals continually evolve their techniques to execute successful attacks on businesses, thus posing a great challenge to information technology (IT) professionals. While traditional cybersecurity approaches like layered defense and reactive security have helped IT professionals cope with traditional threats, they are ineffective in dealing with evolving cyberattacks. This paper focuses on the need for a proactive cybersecurity culture among IT professionals to enable them combat evolving threats. The paper emphasis that building a proactive security approach and culture can help among IT professionals anticipate, identify, and mitigate latent threats prior to them exploiting existing vulnerabilities. This paper also points out that as IT professionals use reactive security when dealing with traditional attacks, they can use it collaboratively with proactive security to effectively protect their networks, data, and systems and avoid heavy costs of dealing with cyberattack’s aftermaths and business recovery.
The Impacts of Viral Hepatitis on Liver Enzymes and BilrubinAI Publications
Viral hepatitis is an infection that causes liver inflammation and damage. Several different viruses cause hepatitis, including hepatitis A, B, C, D, and E. The hepatitis A and E viruses typically cause acute infections. The hepatitis B, C, and D viruses can cause acute and chronic infections. Hepatitis A causes only acute infection and typically gets better without treatment after a few weeks. The hepatitis A virus spreads through contact with an infected person’s stool. Protection by getting the hepatitis A vaccine. Hepatitis E is typically an acute infection that gets better without treatment after several weeks. Some types of hepatitis E virus are spread by drinking water contaminated by an infected person’s stool. Other types are spread by eating undercooked pork or wild game. Hepatitis B can cause acute or chronic infection. Recommendation for screening for hepatitis B in pregnant women or in those with a high chance of being infected. Protection from hepatitis B by getting the hepatitis B vaccine. Hepatitis C can cause acute or chronic infection. Doctors usually recommend one-time screening of all adults ages 18 to 79 for hepatitis C. Early diagnosis and treatment can prevent liver damage. The hepatitis D virus is unusual because it can only infect those who have a hepatitis B virus infection. A coinfection occurs when both hepatitis D and hepatitis B infections at the same time. A superinfection occurs already have chronic hepatitis B and then become infected with hepatitis D. The aim of this study is to find the effect of each type of viral hepatitis on the bilirubin (TB , DSB) , and liver enzymes; AST, ALT, ALP,GGT among viral hepatitis patients. 200 patients were selected from the viral hepatitis units in the central public health laboratory in Baghdad city, all the chosen cases were confirmed as a positive samples , they are classified into four equal group each with fifty individual and with a single serological viral hepatitis type either; anti-HAV( IgM ) , HBs Ag , anti-HCV ,or anti-HEV(IgM ). All patients were tested for; serum bilirubin ( TB ,D.SB ) , AST , ALT , ALP , GGT. Another fifty quite healthy and normal person was selected as a control group for comparison. . Liver enzymes and bilirubin changes are more pronounced in HAV, HEV than HCV and HBVAST and ALT lack some sensitivity in detecting HCV ,HBV and mild elevations of ALT or AST in asymptomatic patients can be evaluated efficiently by considering ,hepatitis B, hepatitis C. ALT is generally a more sensitive indicator of acute liver cell damage than AST, It is relatively specific for hepatocyte necrosis with a marked elevations in viral hepatitis. Liver enzymes and bilirubin changes are more pronounced in HAV, HEV than HCV and HBV.AST and ALT lack some sensitivity in detecting HCV ,HBV and mild elevations of ALT or AST in asymptomatic patients can be evaluated efficiently by considering ,hepatitis B, hepatitis C. ALT is generally a more sensitive indicator of acute liver
Determinants of Women Empowerment in Bishoftu Town; Oromia Regional State of ...AI Publications
The purpose of this study was to determine the status of women's empowerment and its determinants using women's asset endowment and decision-making potential as indicators. To determine representative sample size, this study used a two-stage sampling technique, and 122 sample respondents were selected at random. To analyze the data in this study, descriptive statistics and a probit model were used. The average women's empowerment index was 0.41, indicating a relatively lower status of women's empowerment in the study area. According to the study's findings, only 40.9% of women were empowered, while the remaining 59.1% were not. The probit model results show that women's access to the media, women's income, and their husbands' education status have a significant and positive impact on the status of women's empowerment, while the family size of households has a negative impact. As a result, it is important to enhance women's access to the media and income, promote family planning and contraception, and improve men's educational status in order to improve the status of women's empowerment.
Mechanisms and Applications of Antiviral Neutralizing Antibodies - Creative B...Creative-Biolabs
Neutralizing antibodies, pivotal in immune defense, specifically bind and inhibit viral pathogens, thereby playing a crucial role in protecting against and mitigating infectious diseases. In this slide, we will introduce what antibodies and neutralizing antibodies are, the production and regulation of neutralizing antibodies, their mechanisms of action, classification and applications, as well as the challenges they face.
JAMES WEBB STUDY THE MASSIVE BLACK HOLE SEEDSSérgio Sacani
The pathway(s) to seeding the massive black holes (MBHs) that exist at the heart of galaxies in the present and distant Universe remains an unsolved problem. Here we categorise, describe and quantitatively discuss the formation pathways of both light and heavy seeds. We emphasise that the most recent computational models suggest that rather than a bimodal-like mass spectrum between light and heavy seeds with light at one end and heavy at the other that instead a continuum exists. Light seeds being more ubiquitous and the heavier seeds becoming less and less abundant due the rarer environmental conditions required for their formation. We therefore examine the different mechanisms that give rise to different seed mass spectrums. We show how and why the mechanisms that produce the heaviest seeds are also among the rarest events in the Universe and are hence extremely unlikely to be the seeds for the vast majority of the MBH population. We quantify, within the limits of the current large uncertainties in the seeding processes, the expected number densities of the seed mass spectrum. We argue that light seeds must be at least 103 to 105 times more numerous than heavy seeds to explain the MBH population as a whole. Based on our current understanding of the seed population this makes heavy seeds (Mseed > 103 M⊙) a significantly more likely pathway given that heavy seeds have an abundance pattern than is close to and likely in excess of 10−4 compared to light seeds. Finally, we examine the current state-of-the-art in numerical calculations and recent observations and plot a path forward for near-future advances in both domains.
Candidate young stellar objects in the S-cluster: Kinematic analysis of a sub...Sérgio Sacani
Context. The observation of several L-band emission sources in the S cluster has led to a rich discussion of their nature. However, a definitive answer to the classification of the dusty objects requires an explanation for the detection of compact Doppler-shifted Brγ emission. The ionized hydrogen in combination with the observation of mid-infrared L-band continuum emission suggests that most of these sources are embedded in a dusty envelope. These embedded sources are part of the S-cluster, and their relationship to the S-stars is still under debate. To date, the question of the origin of these two populations has been vague, although all explanations favor migration processes for the individual cluster members. Aims. This work revisits the S-cluster and its dusty members orbiting the supermassive black hole SgrA* on bound Keplerian orbits from a kinematic perspective. The aim is to explore the Keplerian parameters for patterns that might imply a nonrandom distribution of the sample. Additionally, various analytical aspects are considered to address the nature of the dusty sources. Methods. Based on the photometric analysis, we estimated the individual H−K and K−L colors for the source sample and compared the results to known cluster members. The classification revealed a noticeable contrast between the S-stars and the dusty sources. To fit the flux-density distribution, we utilized the radiative transfer code HYPERION and implemented a young stellar object Class I model. We obtained the position angle from the Keplerian fit results; additionally, we analyzed the distribution of the inclinations and the longitudes of the ascending node. Results. The colors of the dusty sources suggest a stellar nature consistent with the spectral energy distribution in the near and midinfrared domains. Furthermore, the evaporation timescales of dusty and gaseous clumps in the vicinity of SgrA* are much shorter ( 2yr) than the epochs covered by the observations (≈15yr). In addition to the strong evidence for the stellar classification of the D-sources, we also find a clear disk-like pattern following the arrangements of S-stars proposed in the literature. Furthermore, we find a global intrinsic inclination for all dusty sources of 60 ± 20◦, implying a common formation process. Conclusions. The pattern of the dusty sources manifested in the distribution of the position angles, inclinations, and longitudes of the ascending node strongly suggests two different scenarios: the main-sequence stars and the dusty stellar S-cluster sources share a common formation history or migrated with a similar formation channel in the vicinity of SgrA*. Alternatively, the gravitational influence of SgrA* in combination with a massive perturber, such as a putative intermediate mass black hole in the IRS 13 cluster, forces the dusty objects and S-stars to follow a particular orbital arrangement. Key words. stars: black holes– stars: formation– Galaxy: center– galaxies: star formation
PPT on Alternate Wetting and Drying presented at the three-day 'Training and Validation Workshop on Modules of Climate Smart Agriculture (CSA) Technologies in South Asia' workshop on April 22, 2024.
Evidence of Jet Activity from the Secondary Black Hole in the OJ 287 Binary S...Sérgio Sacani
Wereport the study of a huge optical intraday flare on 2021 November 12 at 2 a.m. UT in the blazar OJ287. In the binary black hole model, it is associated with an impact of the secondary black hole on the accretion disk of the primary. Our multifrequency observing campaign was set up to search for such a signature of the impact based on a prediction made 8 yr earlier. The first I-band results of the flare have already been reported by Kishore et al. (2024). Here we combine these data with our monitoring in the R-band. There is a big change in the R–I spectral index by 1.0 ±0.1 between the normal background and the flare, suggesting a new component of radiation. The polarization variation during the rise of the flare suggests the same. The limits on the source size place it most reasonably in the jet of the secondary BH. We then ask why we have not seen this phenomenon before. We show that OJ287 was never before observed with sufficient sensitivity on the night when the flare should have happened according to the binary model. We also study the probability that this flare is just an oversized example of intraday variability using the Krakow data set of intense monitoring between 2015 and 2023. We find that the occurrence of a flare of this size and rapidity is unlikely. In machine-readable Tables 1 and 2, we give the full orbit-linked historical light curve of OJ287 as well as the dense monitoring sample of Krakow.
Discovery of An Apparent Red, High-Velocity Type Ia Supernova at 𝐳 = 2.9 wi...Sérgio Sacani
We present the JWST discovery of SN 2023adsy, a transient object located in a host galaxy JADES-GS
+
53.13485
−
27.82088
with a host spectroscopic redshift of
2.903
±
0.007
. The transient was identified in deep James Webb Space Telescope (JWST)/NIRCam imaging from the JWST Advanced Deep Extragalactic Survey (JADES) program. Photometric and spectroscopic followup with NIRCam and NIRSpec, respectively, confirm the redshift and yield UV-NIR light-curve, NIR color, and spectroscopic information all consistent with a Type Ia classification. Despite its classification as a likely SN Ia, SN 2023adsy is both fairly red (
�
(
�
−
�
)
∼
0.9
) despite a host galaxy with low-extinction and has a high Ca II velocity (
19
,
000
±
2
,
000
km/s) compared to the general population of SNe Ia. While these characteristics are consistent with some Ca-rich SNe Ia, particularly SN 2016hnk, SN 2023adsy is intrinsically brighter than the low-
�
Ca-rich population. Although such an object is too red for any low-
�
cosmological sample, we apply a fiducial standardization approach to SN 2023adsy and find that the SN 2023adsy luminosity distance measurement is in excellent agreement (
≲
1
�
) with
Λ
CDM. Therefore unlike low-
�
Ca-rich SNe Ia, SN 2023adsy is standardizable and gives no indication that SN Ia standardized luminosities change significantly with redshift. A larger sample of distant SNe Ia is required to determine if SN Ia population characteristics at high-
�
truly diverge from their low-
�
counterparts, and to confirm that standardized luminosities nevertheless remain constant with redshift.
Sexuality - Issues, Attitude and Behaviour - Applied Social Psychology - Psyc...PsychoTech Services
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Spectroscopic Study on the Interaction between Mobic and Lysozyme
1. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
https://dx.doi.org/10.22161/ijcmp.3.3.3 ISSN: 2456-866X
http://www.aipublications.com/ijcmp/ Page | 67
Spectroscopic Study on the Interaction between
Mobic and Lysozyme
Bao-sheng Liu*, Xu Cheng, Hong-cai Zhang
*College of Chemistry &Environmental Science, Key Laboratory of Analytical Science and Technology of Hebei
Province, National Chemistry Experimental Teaching Demonstration Center, Hebei University, Baoding, PR China
E-mail: lbs@hbu.edu.cn.
Abstract— Under simulated physiological conditions
(pH=7.40),the interaction between Mobic and lysozyme was
studied by synchronous fluorescence spectroscopy,
ultraviolet spectroscopy, circular dichroism spectroscopy
and molecular docking simulation technique.The results of
spectroscopy showed that the fluorescence of lysozyme was
statically quenched by Mobic, the number of binding sites
was about 1, and the conformation of lysozyme was
changed.The thermodynamic parameters obtained from the
van't Hoff equation show that the Gibbs free energy ΔG<0
showed that the reaction between them was spontaneous,
and ΔH<0, ΔS>0, indicating that the hydrophobic force
plays an important role in the formation of Mobic-lysozyme
complex.The results of molecular docking showed that the
binding site of Mobic was close to the active site composed
of Asp48 and Glu35 residues, indicating that Mobic could
change the microenvironment of amino acid residues at the
catalytic active center of lysozyme.The results of docking
further showed that there was a hydrogen bond between
Moby and lysozyme, so the interaction between Mobic and
lysozyme was driven by hydrophobic interaction and
hydrogen bond.
Keywords— Mobic; lysozyme; spectroscopy;
conformational; molecular docking.
I. INTRODUCTION
Non-steroidal anti-inflammatory drugs can relieve pain and
edema to play a role in the treatment of inflammation,
however, patients taking non-steroidal anti-inflammatory
drugs often cause gastritis, gastric ulcer, kidney and liver
damage and other adverse symptoms [1].Mobic is one of
the non-steroidal anti-inflammatory drugs [2] and the
structural formula is shown in Figure 1. The toxic and side
effects of Mobic are much less than those of some other
non-steroidal anti-inflammatory drugs (such as dotaline,
ibuprofen, etc.). Therefore, the adverse effect of Mobic on
gastrointestinal function was much smaller [3].This drug is
widely used in daily life and it is a very common drug for
the treatment of rheumatoid arthritis. in addition to the
treatment of inflammatory diseases, Mobic also has a good
effect on relieving physical pain in patients [4].
Fig.1: Chemical structure of Mobic.
The relative molecular weight of lysozyme (LYSO) is
about 14600 [5]. The main fluorescent groups in LYSO are
Trp62 and Trp108 amino acid residues[6].LYSO is widely
found in humans and animals. Such as tears, saliva, blood
and lymphoid tissue all contain LYSO, which is a very
important antibacterial protein in organisms. In addition to
antibacterial activity, LYSO also has the ability to treat
inflammation, regulate the immune ability of the body,
antihistamine and inhibit tumor activity [7]and many other
biological functions. Because of its important physiological
function, LYSO is often studied as an important protein
model.
In recent years, fluorescence spectroscopy has become
2. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
https://dx.doi.org/10.22161/ijcmp.3.3.3 ISSN: 2456-866X
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an important means to study the mechanism of
ligand-protein system. So far, Sourav Das [8] has explored
the relationship between naringin and LYSO by
spectroscopy and molecular docking. Yan Juan [9]has
studied the mechanism of interaction between vitexin and
LYSO by fluorescence spectroscopy. ChenChen[10] has
studied the binding of oxaliplatin to LYSO by fluorescence
spectroscopy.At present, the methods to explore the
mechanism of the reaction between drugs and proteins are
mainly to investigate the fluorescence quenching of proteins
at the excitation wavelengths of 280nmand 295nm with the
change of drug concentration,which is to study the overall
interaction between drugs and proteins[11].And
synchronous fluorescence has both good selectivity, high
sensitivity and it can narrow band and reduce scattering
interference[12]. In the study of the reaction mechanism
between drug and protein, synchronous fluorescence method
is mainly used to investigate the conformational change of
protein by the displacement of synchronous fluorescence
peak [13].At present, there are few reports on the interaction
between drugs and proteins by synchronous fluorescence
spectrometry. In this paper, the interaction between Mobic
and LYSO was studied by synchronous fluorescence
spectroscopy, ultraviolet spectroscopy, circular dichroism
spectroscopy and molecular docking simulation. The
reaction mechanismbetween drug molecules and amino acid
residues can be revealed at a deeper level, which provides a
certain reference for the study of the binding of small
molecular drugs and proteins.
II. EXPERIMENTAL
2.1 Apparatus
RF-5301PC fluorometer (Shimadzu, Japan); UV-3600
UV-vis spectrophotometer (Shimadzu, Japan);
MOS-450/SFM300 circular dichroism (Bio-Logic, France);
SYC-15B super constant temperature water bath (Nanjing
Sanli Electronic equipment Factory); SZ-93 automatic
double Pure Water Distiller (Shanghai Yarong biochemical
instrument Factory).
2.2 Materials
LYSO (purity grade inferior 99%, Sigma), reserve
solution(5.0×10-6 mol/L); Mobic (CAS#,71125-28-7),
reserve solution(4.0×10-4 mol/L).Tris-HCl buffer
solutionwas used to keep the pH of the solution at 7.40, and
NaCl (0.10 mol/L) solution was used to maintain the ionic
strength of the solution.The water used in the experiment
was secondary quartz distilled water, and the above storage
solution was kept away from light at 277 K.The fluorescence
signal measured in the experiment was corrected by the
"internal filter effect" Eq. (1)[14]:
( )/2ex emA A
cor obsF F e
(1)
Where Fcor and Fobs are the corrected and observed
fluorescence signals, respectively, and Aex and Aem are the
absorbance values of Mobic-LYSO systemat excitation and
emission wavelengths, respectively. The fluorescence signal
used in this article was corrected.
2.3 Experiment procedure
2.3.1 Synchronous Fluorescence measurements
At 298K, 310K and 318K, 1.0 mL Tris-HCl buffer
solution, 1.0 mL LYSO solution and different volume of
Mobic solution were added to the 10.0 mL colorimetric tube
at constant volume and constant temperature of 30 min. The
prepared solution was placed in a 1.0 cm quartz colorimetric
dish, and the difference Δλ between the fixed emission
wavelength and the excitation wavelength was set at 5 nm.
The synchronous fluorescence spectra of the scanning
system were 15 nm and 60 nm, respectively, and the
synchronous fluorescence intensity was recorded.
2.3.2 Circular dichroism measurements
At 298K, 1.0 mL Tris-HCl buffer solution, 1.0 mL
LYSO solution and different volume of Mobic solution were
added to the 10.0 mL colorimetric tube at constant volume
and constant temperature of 30 min.Circular dichroism
measurements were performed with a 1.0 cm path length
quartz cuvette. Each spectrum was recorded at wavelengths
between 190 and 300 nm and a scan speed of 1 nm/s.
2.3.3 UV-Vis measurements
At 298 K, 1.0 mL Tris-HCl buffer solution,1.0 mL
LYSO solution and different volume Mobic solution was
added to the 10.0 mL colorimetric tube at constant volume
and constant temperature of 30 min. The absorbance of the
system was determined by using the corresponding
concentration of Mobic solution as the blank reference, and
the UV absorption spectrumof the systemwas drawn.
2.3.4 Molecular docking
The crystal structure (PDB ID: 6LYZ) of LYSO comes
3. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
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from the protein database (Protein Data Bank). The
ChemDraw Pro 14.0 and ChemBio 3D Ultra 14.0 are used to
draw the Mobic structure, and the energy minimization of
the three-dimensional structure is carried out. AutoDock
4.2.6 was used to study the molecular docking of Mobic and
LYSO, and genetic algorithm was used to calculate the
binding conformation of Mobic and LYSO[15].
III. RESULTS AND DISCUSSION
3.1 Synchronous fluorescence studies of Mobic-LYSO system
Fig.2: Synchronous fluorescence spectra of Mobic-LYSO system (T=298 K). (A) Δλ=60 nm; (B) Δλ=15nm
CLYSO=5.0×10-7
mol/L, 1~7 CMobic=(0, 0.5, 1.0, 1.5, 2.0, 3.0, 4.0)×10-5
mol/L
Synchronous fluorescence spectra can show the micro
environmental information of protein fluorescence groups.
When the Δλ value between excitation wavelength and
emission wavelength is stable at 15 nm or 60 nm,
synchronous fluorescence gives the characteristic
information of Tyr residue or Trp residue, respectively
[16].As shown in Figure 2, the fluorescence ofTyr residue or
Trp residue is quenched by the addition of Mobic, and the
quenching degree is furtherstrengthened with the increase of
drug concentration, which indicates that Mobic interacts
with LYSO to form a stable complex.It can be seen fromthe
synchronous fluorescence spectra that the fluorescence
peaks of Trp residues and Tyr residues in LYSO have shifted
very weakly. This means that the binding of Mobic to LYSO
changes the microenvironment of amino acid residues in
small molecular proteins such as LYSO, which reduces its
hydrophobicity and increases the extension of peptide chain
[17].
Table.1: Quenching reactive parameters of Mobic-LYSO system at different temperatures
Δλ
(nm)
T/(K) kq(L/mol·s) Ksv(L/mol) r1 Ka(L/mol) n r2
60
298 1.95×1012 1.95×104 0.9946 2.13×104 1.04 0.9907
310 1.43×1012 1.43×104 0.9980 1.58×104 1.05 0.9952
318 1.23×1012 1.23×104 0.9936 1.21×104 1.03 0.9955
15
298 1.48×1012 1.48×104 0.9939 1.51×104 1.06 0.9951
310 1.16×1012 1.16×104 0.9943 1.13×104 1.09 0.9956
318 0.91×1012 0.91×104 0.9926 0.84×104 1.07 0.9966
r1 is the linear relative coefficient of F0/F∼[L]; r2 is the linear relative coefficient of lg[(F0-F)/]~lg{[L]-n[Bt](F0-F)/F0}
The Stern-Volmer [18] equation was shown below, through which the quenching constant Ksv and the quenching
4. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
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rate constant kq can be calculated by using the fluorescence
signal data obtained from the experiment:
0 0/ 1 [ ] 1 [ ]q SVF F k L K L (2)
Where F0 and F represent the fluorescence signals in
the absence and presence of quencher, respectively. τ0 is the
average lifetime of fluorescence without quencher, which is
about 10-8 s. Ksv is the Stern-Volmer quenching constant. kq
is the bimolecular quenching constant, and [L] is the
concentration of Mobic.According to the calculation of Eq.
(2), the values of Ksv and kqwere listed in Table 1. The results
showed that the kq values at different temperatures are larger
than the maximum diffusion collision quenching constant of
2×1010L/mol·s[19] for biomolecules by various quenching
agents. At the same time, it could be seen from the data in
Table 1 that with the increase of temperature, kq of
Mobic-LYSO system and Ksv's are decreased. The results
showed that the quenching mode of Mobic-LYSO system
was static quenching.
For static quenching, the Eq. (3)was generally used to
calculate the binding constant Ka and the number of binding
sites n:
0 0
0
lg lg lga t
F F F F
n K n L n B
F F
(3)
[Bt] represents the concentration of LYSO, and the
results were shown in Table 1.From Table 1, n≈1 at the
experimental temperature indicates that there is only one
high affinity binding site[20] for Mobic to bind to LYSO,
that is, Mobic formed a 1:1 complex with LYSO.The
binding constant Ka of Mobic to LYSO decreases with the
increased of temperature, which further proved that the
fluorescence quenching type of Mobic-LYSO system was
static quenching.From the data in the table, it could be
further seen that the Ka value at Δλ=15 nm was obviously
smaller than that at Δλ=60 nm, which indicated that the
reaction between Mobic and Trp residues is stronger.
3.2 Circular dichroism spectra studies of Mobic-LYSO
system
As one of the well-known biophysical techniques,
circular dichroism spectrum (CD) is usually used to clarify
the secondary structure of proteins. In the CD spectrum, the
far ultraviolet region (180 nm) mainly shows the α-helix,
β-fold and irregular crimping of the protein[21].The peaks
at the left and right sides of the 208 nm and 222 nm are
characteristic peaks of α-helix. The change of α-helix
content can be obtained by using the following equation
(4)[22]:
100
400033000
4000
(%)
MRE
Helix
N
K (4)
The NMRE is the molar ellipticity at 200 nm; the
number 4000 is the NMRE value of β-fold and randomcurl at
200 nm; and the number 33000 is the NMRE value of pure
α-helix at 200 nm.
nlC
I
N
P
CD
MRE
10
(5)
As shown in Eq. (5), ICD is the signal of CD at 208 nm,
Cp is the concentration of protein, n is the number of amino
acid residues and l is the path length (cm). The circular
dichroism spectroscopy of Mobic-LYSO system was shown
inFigure 3. When the molar ratio of LYSO to Mobic were
1:0, 1: 5 and 1: 10, the content of α-helix structure of LYSO
molecules decreased from 22.76% to 10.79%. The intensity
of the negative peaks decreases gradually, without obvious
change in position and shape of the peaks. It could be
concluded that the interaction between Mobic and LYSO
made the α-helix structure of LYSO loose and changed the
protein secondary structure, leading to quenching of the
LYSO fluorescence. But α-helical structure was still
dominant.
Fig.3: The circular dichroism spectra of Mobic-LYSO
system (T=298 K)
CLYSO= 2.0×10-6
mol/L;CMobic= (0, 1.0, 2.0) ×10-5
mol/L
5. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
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3.3 UV-vis absorption spectra studies of Mobic-LYSO
system
Fig.4: Absorption spectrum of Mobic-LYSO system (T=298
K)
CLYSO=2.0×10-6
mol/L, 1~6: CMobic=(0, 0.2, 0.5, 1.0, 1.5,
2.0)×10-5
mol/L
UV-vis absorption spectra can be used to explore the
structural changes of proteins and to study the formation of
protein-ligand complexes[23]. Figure4was an absorption
spectrum of the Mobic-LYSO system. From the figure, it
can be seen that LYSO has two absorption peaks, and its
strong absorption peak near 208 nm reflects the frame
conformation of the protein. The weak absorption peak at
about 280 nm is due to aromatic amino acids (Trp,Tyr and
Phe)[24]. With the increases of Mobicconcentration,
Figure4 showed that the intensity of the absorption peak at
208nm decreased with the blue shift, and the absorption
peak at 280nm also decreased slightly. This result indicated
that the interaction between Mobic and LYSO led to the
formation of new complexes, and the LYSO molecule
tended to fold, the hydrophobicity of LYSO
microenvironment was enhanced.The UV-Vis absorption
spectrum of the system shifted, indicating that the
fluorescence quenching of LYSO by Mobic, a new complex
formed by the reaction, should belong to the static
quenching process [25], which was consistent with the
conclusion of synchronous fluorescence experiment.
3.4 Type of interaction force of Mobic-LYSO system
The thermodynamic parameters of Mobic-LYSO
systemwere calculated according to van't Hoff equation[26],
and the calculated results were shown in Table 2.
ln /R K S H T (6)
lnG RT K H T S (7)
Table 2.The thermodynamic parameters of Mobic-LYSO at different temperatures
System T/(K) Ka/(L/mol) ΔH/(kJ/mol) ΔS/(J/mol·K) ΔG/(kJ/mol)
Δλ=
60 nm
298 2.13×104
-21.98
9.09 -23.69
310 1.58×104 9.47 -24.92
318 1.21×104 9.03 -24.85
Δλ=
15 nm
298 1.51×104 3.90 -23.84
310 1.13×104 -22.68 4.43 -24.05
318 0.84×104 3.81 -23.89
Where R is a gas constant (ΔH and ΔS with a value of
about 8.314). Mobic and LYSO could be calculated by a
linear relationship between the natural logarithm (lnKa) of
the binding constant and the reciprocal (1/T) of the
temperature. The results were shown in Table 2.It could be
seen from Table 2 that ΔG<0 indicated that the binding
reaction between Mobic and LYSOwas spontaneous, and
ΔH<0 indicated that the formation of Mobic-LYSO complex
was exothermic.The arrangement of water molecules created
a more randomconfiguration around drugs and proteins in a
more orderly manner. Therefore, ΔS>0 was usually used as
evidence of hydrophobic interaction between drug
molecules and protein molecules[27]. Based on this, the
hydrophobic interaction between Mobic and LYSO could be
judged.
Ross and Subramanian [28]believed that when ΔH≈0,
ΔS>0, there was electrostatic attraction between drug
molecules and biomolecules, but now some reports thought
that when ΔH<0, ΔS>0 could directly judge that the main
type of force between the binding systems was electrostatic
6. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
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interaction [29]. In order to further verify whether the main
force between Mobic and LYSOwas electrostatic force, the
effect of ionic strength on Mobic-LYSO interaction was
discussed in this paper.
The concentrations of Mobic and LYSO were fixed,
and different concentrations of NaCl were added, and F/F0
was plotted against CNaCl and the results were shown in
Figure5. The experimental results showed that when the
concentration of NaCl increases, the ratio of F/F0 did not
change significantly. The results showed that the binding of
Mobic to LYSOwas not affected by ionic strength, that was,
the electrostatic interaction of Mobic-LYSO system was not
obvious. If the electrostatic interaction played a leading role
in the binding of protein to ligands, as the increasing of the
salt concentration, the interaction intensity between protein
and ligand decreases gradually[30]. This also indicated that
when ΔH<0, ΔS>0 could not directly judge the main force
between Mobic-LYSO system was electrostatic force.
Fig.5: Synchronous fluorescence intensity of Mobic-LYSO
system as a function of NaCl concentration (T=298 K)
CLYSO=5.0×10-7
mol/L, CMobic= 1.0×10-5
mol/L, CNacl= (0,
0.1, 0.2, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0) ×10-1
mol/L
3.5 Molecular docking
Molecular docking plays an important role in
exploring the interaction between ligands and receptors. In
order to further determine the binding position of
Mobic-LYSO system and the effect of Mobic binding to
LYSO on ligands and receptors. In this paper, the binding
model of Mobic and LYSOwas established by molecular
docking method. By this method, the type of force and the
lowest binding energy of Mobic and LYSO binding system
could be obtained.Figure6(A) showed the optimal binding
position of Mobic to LYSO, where the Trp62 residue and
the Trp63 residue formed two hydrogen bonds with Mobic,
respectively, with bond lengths of 2.105 Å and 1.809 Å,
respectively. This result showed that hydrogen bond played
an important role in the binding of Mobic to LYSO.
Figure6(B) showed a plurality of hydrophobic amino acid
residues such asAla95,Ala107, Val99 and Val109around
Mobic, further indicating that there was hydrophobic force
in the binding process between Mobic and LYSO.The
amino acid residues such as Tyr53, Trp62andTrp63 were
relatively close to the binding position of Mobic and LYSO,
which led to the binding could effectively quench the
endogenous fluorescence of LYSO, which was consistent
with the conclusion of fluorescence quenching experiment.
Glu and Aspare the key residues of the catalytic active
center of LYSO[31]. The results of molecular docking also
showed that the binding of Mobic and LYSO could change
the microenvironment of the catalytic active center of
LYSO.In other words, the binding of the system might
affect the catalytic activity of LYSO.
Fig.6: Molecular docking of the Interaction between Mobic and LYSO.
(A) Mobic located within the hydrophobic pocket in LYSO(B) Detailed illustration of the amino acid residues lining the
binding site in theMobic and LYSO cavity
7. International journal of Chemistry, Mathematics and Physics (IJCMP) [Vol-3, Issue-3, May-Jun, 2019]
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The binding energy obtained from molecular docking
for Mobic and LYSO interaction was -26.81kJ/mol. At
310K, it is close to the synchronous fluorescence
experiment that ΔG (Trp)=24.92 kJ/mol, ΔG (Tyr) =24.05
kJ/mol.This difference may be due to exclusion of the
solvent in docking simulations or rigidity of the receptor
other than Trp and Tyr residues[32]. The energy data
obtained by docking the molecules were list in Table 3.
From Table 3, it could be also seen that the electrostatic
energy was very much lower than the sumof van der Waals
energy, hydrogen bonding energy and desolvation free
energy in the binding process of Mobic with LYSO,
indicating that the main interaction mode between Mobic
and LYSOwas not electrostatic binding mode.Combined
with the data of fluorescence experiments and the results of
theoretical modeling, it could be seen that hydrophobic
interaction and hydrogen bond were the main forces driving
the combination of Mobic molecules with LYSO molecules,
which led to the static quenching of LYSO.
Table 3. Docking energy of Mobic-LYSO system (unit: kJ/mol)
Protein PDB ID ΔG0 ΔE1 ΔE2 ΔE3
6LYZ -26.81 -30.53 -30.32 -0.21
ΔG0 is the binding energy in the binding process.
ΔE1 denotes intermolecular interaction energy, which is a sum of van der Waals energy, hydrogen bonding energy,
desolvation free energy and electrostatic energy.
ΔE2 is the sum of van der Waals energy, hydrogen bonding energy and desolvation free energy.
ΔE3 is the electrostatic energy.
IV. CONCLUSION
Under simulated physiological conditions, a variety of
spectroscopy and molecular docking techniques were used
to explore the interaction between Mobic and LYSO, which
is of positive significance for the study of pharmacokinetics,
pharmacodynamics and toxicology of Mobic.At present, the
use of spectroscopy to study the interaction between proteins
and ligands is more and more popular and favored by
researchers. Compared with other research methods such as
chromatography, this research method has the advantages of
low experimental cost and short measurement period.
Therefore, this study provides an important reference for the
efficient and rapid study of the interaction between proteins
and ligands.
ACKNOWLEDGMENTS
The authors gratefully acknowledge the financial support of
National Natural Science Foundation of China (No.
21375032)
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