Quantum Mechanical Study of the Structure and Spectroscopic (FTIR, FT-Raman, ...iosrjce
In this study, geometrical optimization, spectroscopic analysis, electronic structure and nuclear
magnetic resonance studies of 2-[(methylamino)methyl]pyridine (abbreviated as 2MAMP) were investigated by
utilizing DFT/B3LYP with 6-31G (d,p) as basis set. The FTIR and FT-Raman spectra of 2-
[(methylamino)methyl]pyridine (2MAMP) have been recorded in the region 4000-400 cm-1
and 4000-50 cm-1
respectively. Complete vibrational assignments, analysis and correlation of the fundamental modes for the title
compound were carried out. The harmonic vibrational frequencies were calculated and scaled values have been
compared with experimental FTIR and FT-Raman spectra. The observed and calculated frequencies are found
to be in good agreement. The theoretical UV-Visible spectrum of the compound was performed by Time
Dependent DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of
2MAMP were calculated using the GIAO method by applying B3LYP method. The dipole moment, polarizability
and first order hyperpolarizability and mullikken charges of the molecule were calculated using DFT
calculations. The polarizability and first hyperpolarizability of the studied molecule indicate that the compound
is a good candidate of nonlinear optical materials. The Chemical reactivity and Thermodynamic properties of
2MAMP at different temperatures were also calculated. In addition, molecular electrostatic potential (MEP),
frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. The calculated
HOMO and LUMO energies show that charge transfer occurs within the molecule.
Deep Behavioral Phenotyping in Systems Neuroscience for Functional Atlasing a...Ana Luísa Pinho
Functional Magnetic Resonance Imaging (fMRI) provides means to characterize brain activations in response to behavior. However, cognitive neuroscience has been limited to group-level effects referring to the performance of specific tasks. To obtain the functional profile of elementary cognitive mechanisms, the combination of brain responses to many tasks is required. Yet, to date, both structural atlases and parcellation-based activations do not fully account for cognitive function and still present several limitations. Further, they do not adapt overall to individual characteristics. In this talk, I will give an account of deep-behavioral phenotyping strategies, namely data-driven methods in large task-fMRI datasets, to optimize functional brain-data collection and improve inference of effects-of-interest related to mental processes. Key to this approach is the employment of fast multi-functional paradigms rich on features that can be well parametrized and, consequently, facilitate the creation of psycho-physiological constructs to be modelled with imaging data. Particular emphasis will be given to music stimuli when studying high-order cognitive mechanisms, due to their ecological nature and quality to enable complex behavior compounded by discrete entities. I will also discuss how deep-behavioral phenotyping and individualized models applied to neuroimaging data can better account for the subject-specific organization of domain-general cognitive systems in the human brain. Finally, the accumulation of functional brain signatures brings the possibility to clarify relationships among tasks and create a univocal link between brain systems and mental functions through: (1) the development of ontologies proposing an organization of cognitive processes; and (2) brain-network taxonomies describing functional specialization. To this end, tools to improve commensurability in cognitive science are necessary, such as public repositories, ontology-based platforms and automated meta-analysis tools. I will thus discuss some brain-atlasing resources currently under development, and their applicability in cognitive as well as clinical neuroscience.
Nutraceutical market, scope and growth: Herbal drug technologyLokesh Patil
As consumer awareness of health and wellness rises, the nutraceutical market—which includes goods like functional meals, drinks, and dietary supplements that provide health advantages beyond basic nutrition—is growing significantly. As healthcare expenses rise, the population ages, and people want natural and preventative health solutions more and more, this industry is increasing quickly. Further driving market expansion are product formulation innovations and the use of cutting-edge technology for customized nutrition. With its worldwide reach, the nutraceutical industry is expected to keep growing and provide significant chances for research and investment in a number of categories, including vitamins, minerals, probiotics, and herbal supplements.
Quantum Mechanical Study of the Structure and Spectroscopic (FTIR, FT-Raman, ...iosrjce
In this study, geometrical optimization, spectroscopic analysis, electronic structure and nuclear
magnetic resonance studies of 2-[(methylamino)methyl]pyridine (abbreviated as 2MAMP) were investigated by
utilizing DFT/B3LYP with 6-31G (d,p) as basis set. The FTIR and FT-Raman spectra of 2-
[(methylamino)methyl]pyridine (2MAMP) have been recorded in the region 4000-400 cm-1
and 4000-50 cm-1
respectively. Complete vibrational assignments, analysis and correlation of the fundamental modes for the title
compound were carried out. The harmonic vibrational frequencies were calculated and scaled values have been
compared with experimental FTIR and FT-Raman spectra. The observed and calculated frequencies are found
to be in good agreement. The theoretical UV-Visible spectrum of the compound was performed by Time
Dependent DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of
2MAMP were calculated using the GIAO method by applying B3LYP method. The dipole moment, polarizability
and first order hyperpolarizability and mullikken charges of the molecule were calculated using DFT
calculations. The polarizability and first hyperpolarizability of the studied molecule indicate that the compound
is a good candidate of nonlinear optical materials. The Chemical reactivity and Thermodynamic properties of
2MAMP at different temperatures were also calculated. In addition, molecular electrostatic potential (MEP),
frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. The calculated
HOMO and LUMO energies show that charge transfer occurs within the molecule.
Deep Behavioral Phenotyping in Systems Neuroscience for Functional Atlasing a...Ana Luísa Pinho
Functional Magnetic Resonance Imaging (fMRI) provides means to characterize brain activations in response to behavior. However, cognitive neuroscience has been limited to group-level effects referring to the performance of specific tasks. To obtain the functional profile of elementary cognitive mechanisms, the combination of brain responses to many tasks is required. Yet, to date, both structural atlases and parcellation-based activations do not fully account for cognitive function and still present several limitations. Further, they do not adapt overall to individual characteristics. In this talk, I will give an account of deep-behavioral phenotyping strategies, namely data-driven methods in large task-fMRI datasets, to optimize functional brain-data collection and improve inference of effects-of-interest related to mental processes. Key to this approach is the employment of fast multi-functional paradigms rich on features that can be well parametrized and, consequently, facilitate the creation of psycho-physiological constructs to be modelled with imaging data. Particular emphasis will be given to music stimuli when studying high-order cognitive mechanisms, due to their ecological nature and quality to enable complex behavior compounded by discrete entities. I will also discuss how deep-behavioral phenotyping and individualized models applied to neuroimaging data can better account for the subject-specific organization of domain-general cognitive systems in the human brain. Finally, the accumulation of functional brain signatures brings the possibility to clarify relationships among tasks and create a univocal link between brain systems and mental functions through: (1) the development of ontologies proposing an organization of cognitive processes; and (2) brain-network taxonomies describing functional specialization. To this end, tools to improve commensurability in cognitive science are necessary, such as public repositories, ontology-based platforms and automated meta-analysis tools. I will thus discuss some brain-atlasing resources currently under development, and their applicability in cognitive as well as clinical neuroscience.
Nutraceutical market, scope and growth: Herbal drug technologyLokesh Patil
As consumer awareness of health and wellness rises, the nutraceutical market—which includes goods like functional meals, drinks, and dietary supplements that provide health advantages beyond basic nutrition—is growing significantly. As healthcare expenses rise, the population ages, and people want natural and preventative health solutions more and more, this industry is increasing quickly. Further driving market expansion are product formulation innovations and the use of cutting-edge technology for customized nutrition. With its worldwide reach, the nutraceutical industry is expected to keep growing and provide significant chances for research and investment in a number of categories, including vitamins, minerals, probiotics, and herbal supplements.
Richard's entangled aventures in wonderlandRichard Gill
Since the loophole-free Bell experiments of 2020 and the Nobel prizes in physics of 2022, critics of Bell's work have retreated to the fortress of super-determinism. Now, super-determinism is a derogatory word - it just means "determinism". Palmer, Hance and Hossenfelder argue that quantum mechanics and determinism are not incompatible, using a sophisticated mathematical construction based on a subtle thinning of allowed states and measurements in quantum mechanics, such that what is left appears to make Bell's argument fail, without altering the empirical predictions of quantum mechanics. I think however that it is a smoke screen, and the slogan "lost in math" comes to my mind. I will discuss some other recent disproofs of Bell's theorem using the language of causality based on causal graphs. Causal thinking is also central to law and justice. I will mention surprising connections to my work on serial killer nurse cases, in particular the Dutch case of Lucia de Berk and the current UK case of Lucy Letby.
This presentation explores a brief idea about the structural and functional attributes of nucleotides, the structure and function of genetic materials along with the impact of UV rays and pH upon them.
Comparing Evolved Extractive Text Summary Scores of Bidirectional Encoder Rep...University of Maribor
Slides from:
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Track: Artificial Intelligence
https://www.etran.rs/2024/en/home-english/
Earliest Galaxies in the JADES Origins Field: Luminosity Function and Cosmic ...Sérgio Sacani
We characterize the earliest galaxy population in the JADES Origins Field (JOF), the deepest
imaging field observed with JWST. We make use of the ancillary Hubble optical images (5 filters
spanning 0.4−0.9µm) and novel JWST images with 14 filters spanning 0.8−5µm, including 7 mediumband filters, and reaching total exposure times of up to 46 hours per filter. We combine all our data
at > 2.3µm to construct an ultradeep image, reaching as deep as ≈ 31.4 AB mag in the stack and
30.3-31.0 AB mag (5σ, r = 0.1” circular aperture) in individual filters. We measure photometric
redshifts and use robust selection criteria to identify a sample of eight galaxy candidates at redshifts
z = 11.5 − 15. These objects show compact half-light radii of R1/2 ∼ 50 − 200pc, stellar masses of
M⋆ ∼ 107−108M⊙, and star-formation rates of SFR ∼ 0.1−1 M⊙ yr−1
. Our search finds no candidates
at 15 < z < 20, placing upper limits at these redshifts. We develop a forward modeling approach to
infer the properties of the evolving luminosity function without binning in redshift or luminosity that
marginalizes over the photometric redshift uncertainty of our candidate galaxies and incorporates the
impact of non-detections. We find a z = 12 luminosity function in good agreement with prior results,
and that the luminosity function normalization and UV luminosity density decline by a factor of ∼ 2.5
from z = 12 to z = 14. We discuss the possible implications of our results in the context of theoretical
models for evolution of the dark matter halo mass function.
What is greenhouse gasses and how many gasses are there to affect the Earth.moosaasad1975
What are greenhouse gasses how they affect the earth and its environment what is the future of the environment and earth how the weather and the climate effects.
Richard's aventures in two entangled wonderlandsRichard Gill
Since the loophole-free Bell experiments of 2020 and the Nobel prizes in physics of 2022, critics of Bell's work have retreated to the fortress of super-determinism. Now, super-determinism is a derogatory word - it just means "determinism". Palmer, Hance and Hossenfelder argue that quantum mechanics and determinism are not incompatible, using a sophisticated mathematical construction based on a subtle thinning of allowed states and measurements in quantum mechanics, such that what is left appears to make Bell's argument fail, without altering the empirical predictions of quantum mechanics. I think however that it is a smoke screen, and the slogan "lost in math" comes to my mind. I will discuss some other recent disproofs of Bell's theorem using the language of causality based on causal graphs. Causal thinking is also central to law and justice. I will mention surprising connections to my work on serial killer nurse cases, in particular the Dutch case of Lucia de Berk and the current UK case of Lucy Letby.
Professional air quality monitoring systems provide immediate, on-site data for analysis, compliance, and decision-making.
Monitor common gases, weather parameters, particulates.
A physiological role of cyclicelectron transport aroundphoto-system I in sustainingphotosynthesis under fluctuating light in rice
1. A PHYSIOLOGICAL ROLE OF CYCLIC
ELECTRON TRANSPORT AROUND
PHOTO-SYSTEM I IN SUSTAINING
PHOTOSYNTHESIS UNDER FLUCTUATING
LIGHT IN RICE
Submitted to
Pak Zeily
3. Plants need a highly responsive regulatory
system to keep photosynthetic light reactions
in balance with the needs and restrictions of
the downstream metabolism
3
4. MATERIAL AND METHODS
Analysis of Gas exchange, Chlorophyll
fluorescence and P- 700 measurements.
Measurement with GFS-3000, Dual-PAM-100 system
Calculation of quantum yield
For photosystem I
Y(1)=1-Y(ND)-Y(NA)
• For photosystem II
Y(II)=(Fm′ –F′ )/Fm′
4
12. Effect of PGR5 knockdown or crr6 defect on alleviation of
photo-inhibition under fluctuating light conditions
12
13. Role of PGR5 and NDH dependent cyclic electron
transport in plant growth under fluctuating light
13
14. Role of PGR5 dependent and NDH dependent CEF-PSI
from photo-damage under fluctuating light
14
15. REFERENCE
Yamori, W., Makino, A., & Shikanai, T. (2016). A physiological
role of cyclic electron transport around photosystem I in
sustaining photosynthesis under fluctuating light in
rice. Scientific Reports, 6, 20147.
15