Austin Journal of Computational Biology and Bioinformatics is an open access, peer reviewed, scholarly journal dedicated to publish articles in all areas of research in Computational Biology and Bioinformatics.
The journal aims to promote research communications and provide a forum for researchers and other healthcare professionals to find most recent advances in the areas of Computational Biology and Bioinformatics.
Austin Journal of Computational Biology and Bioinformatics accepts original research articles, review articles, case reports and rapid communication on all the aspects of Computational Biology and Bioinformatics.
Bis-perfluorocycloalkenyl (PFCA) aryl ether monomers towards a versatile clas...aaaa zzzz
A unique class of perfluorocycloalkenyl (PFCA) aryl ether monomers was synthesized from commercially available perfluorocycloalkenes (PFCAs) and bisphenols in good yields. This facile one pot reaction of per- fluorocycloalkenes, namely, octafluorocyclopentene (OFCP), and decafluorocyclohexene (DFCH), with bisphenols occurs at room temperature via an addition–elimination reaction in the presence of a base. The synthesis of PFCA monomers and their condensation with bisphenols lead to perfluorocycloalkenyl (PFCA) aryl ether homopolymers and copolymers with random and/or alternating polymer architectures.
Published by Elsevier Ltd.
Bis-perfluorocycloalkenyl (PFCA) aryl ether monomers towards a versatile clas...aaaa zzzz
A unique class of perfluorocycloalkenyl (PFCA) aryl ether monomers was synthesized from commercially available perfluorocycloalkenes (PFCAs) and bisphenols in good yields. This facile one pot reaction of per- fluorocycloalkenes, namely, octafluorocyclopentene (OFCP), and decafluorocyclohexene (DFCH), with bisphenols occurs at room temperature via an addition–elimination reaction in the presence of a base. The synthesis of PFCA monomers and their condensation with bisphenols lead to perfluorocycloalkenyl (PFCA) aryl ether homopolymers and copolymers with random and/or alternating polymer architectures.
Published by Elsevier Ltd.
NOMENCLATURE OF ORGANIC COMPOUNDS BY -- KHUSH AHUJAKhushAhuja
In chemical nomenclature, the IUPAC nomenclature of organic chemistry is a method of naming organic chemical compounds as recommended[1] by the International Union of Pure and Applied Chemistry (IUPAC). It is published in the Nomenclature of Organic Chemistry (informally called the Blue Book). Ideally, every possible organic compound should have a name from which an unambiguous structural formula can be created. There is also an IUPAC nomenclature of inorganic chemistry.
To avoid long and tedious names in normal communication, the official IUPAC naming recommendations are not always followed in practice, except when it is necessary to give an unambiguous and absolute definition to a compound. IUPAC names can sometimes be simpler than older names, as with ethanol, instead of ethyl alcohol. For relatively simple molecules they can be more easily understood than non-systematic names, which must be learnt or looked over. However, the common or trivial name is often substantially shorter and clearer, and so preferred. These non-systematic names are often derived from an original source of the compound. In addition, very long names may be less clear than structural formula.
International Journal of Engineering and Science Invention (IJESI)inventionjournals
International Journal of Engineering and Science Invention (IJESI) is an international journal intended for professionals and researchers in all fields of computer science and electronics. IJESI publishes research articles and reviews within the whole field Engineering Science and Technology, new teaching methods, assessment, validation and the impact of new technologies and it will continue to provide information on the latest trends and developments in this ever-expanding subject. The publications of papers are selected through double peer reviewed to ensure originality, relevance, and readability. The articles published in our journal can be accessed online.
NOMENCLATURE OF ORGANIC COMPOUNDS BY -- KHUSH AHUJAKhushAhuja
In chemical nomenclature, the IUPAC nomenclature of organic chemistry is a method of naming organic chemical compounds as recommended[1] by the International Union of Pure and Applied Chemistry (IUPAC). It is published in the Nomenclature of Organic Chemistry (informally called the Blue Book). Ideally, every possible organic compound should have a name from which an unambiguous structural formula can be created. There is also an IUPAC nomenclature of inorganic chemistry.
To avoid long and tedious names in normal communication, the official IUPAC naming recommendations are not always followed in practice, except when it is necessary to give an unambiguous and absolute definition to a compound. IUPAC names can sometimes be simpler than older names, as with ethanol, instead of ethyl alcohol. For relatively simple molecules they can be more easily understood than non-systematic names, which must be learnt or looked over. However, the common or trivial name is often substantially shorter and clearer, and so preferred. These non-systematic names are often derived from an original source of the compound. In addition, very long names may be less clear than structural formula.
International Journal of Engineering and Science Invention (IJESI)inventionjournals
International Journal of Engineering and Science Invention (IJESI) is an international journal intended for professionals and researchers in all fields of computer science and electronics. IJESI publishes research articles and reviews within the whole field Engineering Science and Technology, new teaching methods, assessment, validation and the impact of new technologies and it will continue to provide information on the latest trends and developments in this ever-expanding subject. The publications of papers are selected through double peer reviewed to ensure originality, relevance, and readability. The articles published in our journal can be accessed online.
Research Inventy : International Journal of Engineering and Scienceresearchinventy
Research Inventy : International Journal of Engineering and Science is published by the group of young academic and industrial researchers with 12 Issues per year. It is an online as well as print version open access journal that provides rapid publication (monthly) of articles in all areas of the subject such as: civil, mechanical, chemical, electronic and computer engineering as well as production and information technology. The Journal welcomes the submission of manuscripts that meet the general criteria of significance and scientific excellence. Papers will be published by rapid process within 20 days after acceptance and peer review process takes only 7 days. All articles published in Research Inventy will be peer-reviewed.
AMINO ACID INTERACTION NETWORK PREDICTION USING MULTI-OBJECTIVE OPTIMIZATIONcscpconf
Protein can be represented by amino acid interaction network. This network is a graph whose
vertices are the proteins amino acids and whose edges are the interactions between them. This
interaction network is the first step of proteins three-dimensional structure prediction. In this
paper we present a multi-objective evolutionary algorithm for interaction prediction and ant
colony probabilistic optimization algorithm is used to confirm the interaction.
A Frequency Domain Approach to Protein Sequence Similarity Analysis and Funct...sipij
A new computational approach for protein sequence similarity analysis and functional classification which is fast and easier compared to the conventional method is described. This technique uses Discrete Wavelet Transform decomposition followed by sequence correlation analysis. The technique can also be used for identifying the functional class of a newly obtained protein sequence. The classification was done using a sample set of 270 protein sequences obtained from organisms of diverse origins and functional classes, which gave a classification accuracy of 94.81%. Accuracy and reliability of the technique is verified by comparing the results with that obtained from NCBI.
Protein can be represented by amino acid interaction network. This network is a graph whose vertices are
the proteins amino acids and whose edges are the interactions between them. In this paper we have
formalized amino acid interaction network prediction as a multi-objective evolutionary optimization
problem. This formalism is biologically plausible because interactions among amino acids do not depend
only on a single factor like atomic distance but also other factors like torsion angle, hydrophobicity and
hydrophilicity etc. This problem is then solved and implemented using multi-objective genetic algorithm
and subsequently optimized using ant colony optimization technique. The result shows that our algorithm
performs better than recent amino acid interaction network prediction algorithms that are based on single
factor
Wu J.C., Gardner D.P., Ozer S., Gutell R.R. and Ren P. (2009).
Correlation of RNA Secondary Structure Statistics with Thermodynamic Stability and Applications to Folding.
Journal of Molecular Biology, 391(4):769-783.
Amino acid interaction network prediction using multi objective optimizationcsandit
Protein can be represented by amino acid interaction network. This network is a graph whose
vertices are the proteins amino acids and whose edges are the interactions between them. This
interaction network is the first step of proteins three-dimensional structure prediction. In this
paper we present a multi-objective evolutionary algorithm for interaction prediction and ant
colony probabilistic optimization algorithm is used to confirm the interaction.
The immobilization of enzymes on atomic force microscope tip (AFM tip) surface is a crucial step in thedevelopment of nanobiosensors to be used in detection process. In this work, an atomistic modeling ofthe attachment of the acetyl coenzyme A carboxylase (ACC enzyme) on a functionalized AFM tip surface isproposed. Using electrostatic considerations, suitable enzyme–surface orientations with the active sitesof the ACC enzyme available for interactions with bulk molecules were found. A 50 ns molecular dynamicstrajectory in aqueous solution was obtained and surface contact area, hydrogen bonding and proteinstability were analyzed. The enzyme–surface model proposed here with minor adjustment can be appliedto study antigen–antibody interactions as well as enzyme immobilization on silica for chromatographyapplications.
Xia Z., Gardner D.P., Gutell R.R., and Ren P. (2010).
Coarse-Grained Model for Simulation of RNA Three-Dimensional Structures.
The Journal of Physical Chemistry B, 114(42):13497-13506.
Austin Journal of Robotics & Automation is an international scholarly, peer review, Open Access journal, initiated with an aim to promote the research in Robotics & Automation, which deals with design, construction, operation, and application of robots.
Austin Journal of Robotics & Automation is a comprehensive Open Access peer reviewed scientific journal that covers multidisciplinary fields. We provide limitless access towards accessing our literature hub with colossal range of articles. The journal aims to publish high quality varied article types such as Research, Review, Short Communications, Case Reports, Perspectives (Editorials).
Austin Journal of Robotics & Automation supports the scientific modernization and enrichment in Robotics & Automation research community by magnifying access to peer reviewed scientific literary works. Austin Publishing Group also brings universally peer reviewed member journals under one roof thereby promoting knowledge sharing, collaborative and promotion of multidisciplinary technology.
Austin Journal of Multiple Sclerosis & Neuroimmunology is an open access, peer review Journal publishing original research & review articles on aetiology, epidemiology, and pathogenesis of inflammatory demyelinating diseases of the central nervous system. Austin Journal of Multiple Sclerosis & Neuroimmunology is aimed to provide a strong platform for challenging cases that includes but not excludes the damage of insulating covers of both central nervous system and spine. It is a grounding platform for all neurologists, neuroimmunologists, neurovirologists, researchers, medical doctors, health professionals, scientists, and scholars to publish their research work & update the latest research information.
Topics include but not limited to Clinical Neurology, Biomarkers, Glial, Myelin Chemistry, Neuroimaging, Neuropathology, Neuroepidemiology, Therapeutics, Genetics/Transcriptomics, Experimental Models, Pathobiology, Neuroimmunology, Neuropsychology, Neurorehabilitation, Pathobiology of the Brain, Psychology, Measurement Scales, Teaching, and Neuroethics.
Austin Journal of Multiple Sclerosis & Neuroimmunology supports the scientific transformation and fortification in Medical and Clinical research community by magnifying access to peer reviewed scientific literary works. Austin also brings universally peer reviewed member journals under one roof thereby promoting knowledge sharing, collaborative and promotion of multidisciplinary science.
Austin Leukemia is an open access, peer reviewed, scholarly journal dedicated to publish articles covering all areas of Leukemia.
The journal aims to promote research communications and provide a forum for doctors, researchers, physicians and healthcare professionals to find most recent advances in all areas of Leukemia. Austin Leukemia accepts original research articles, reviews, mini reviews, case reports and rapid communication covering all aspects of Leukemia.
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Autism & Related Disabilities is a developmental disorder that affects the brain's normal development of social and communication skills. It is also known as a complex developmental disability. Austin Journal of Autism & Related Disabilities is an open access, peer reviewed scholarly journal committed to publication of unique contributions concerned with Autism & Related Disabilities.
Austin Journal of Autism & Related Disabilities accepts original research articles, review articles, case reports, clinical images and rapid communication on all the aspects of Autism & Related Disabilities.
Austin Journal of Asthma: Open Access is an open access, peer reviewed, scholarly journal dedicated to publish articles covering all areas of Asthma.
The journal aims to promote latest information and provide a forum for doctors, researchers, physicians, and healthcare professionals to find most recent advances in the areas of Asthma. Austin Journal of Asthma: Open Access accepts research articles, reviews, mini reviews, case reports and rapid communication covering all aspects of Asthma.
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Austin Journal of Anesthesia and Analgesia is an open access, peer reviewed, scholarly journal dedicated to publish articles in all areas of anesthesiology and pain management.
The aim of the journal is to provide a forum for anesthesiologists, researchers, physicians, and other health professionals to find most recent advances in the areas of anesthesiology. Austin Journal of Anesthesia and Analgesia accepts original research articles, review articles, case reports and rapid communication on all the aspects of anesthesiology and pain management.
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Austin Journal of Accounting, Audit and Finance Management is a peer reviewed open access journal in publishes manuscripts from all the areas of accounting, accountancy, finance, auditing.
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Austin Virology and Retrovirology is an international scholarly peer reviewed Open Access journal, aims to promote the research in the field of Virology.
Austin Virology and Retrovirology is a comprehensive Open Access peer reviewed scientific Journal that covers multidisciplinary fields. We provide limitless access towards accessing our literature hub with colossal range of articles. The journal aims to publish high quality varied article types such as Research, Review, Case Reports, Short Communications, Perspectives (Editorials), Clinical Images
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Austin Journal of Urology is an open access, peer reviewed, scholarly journal dedicated to publish articles in all areas of Urology.
The aim of the journal is to provide a forum for urologists, nephrologists, research scholars, physicians, and other healthcare professionals to find most recent advances in the field of Urology.
Austin Journal of Urology accepts original research articles, review articles, case reports and short communication on all the aspects of Urology and relevant basic science issues.
Annals of Thyroid Research is a peer-reviewed, open access journal published by Austin Publishers. It provides easy access to high quality Manuscripts in all related aspects of thyroid hormones and thyroid diseases and their interaction with the cardiovascular system, pulmonary system, gastroenteron system, metabolic and nervous systems. The journal also focuses upon all the thyroid disease symptoms and treatments, including hyperthyroid and hypothyroid, plus a range of other thyroid problems including thyroid cancer.
Austin Publishing Group is a successful host of more than hundred peer reviewed, open access journals in various fields of science and medicine with intent to bridge the gap between academia and research access.
Annals of Thyroid Research accepts original research articles, review articles, case reports, mini reviews, rapid communication, opinions and editorials on all related aspects of all related aspects of thyroid hormones and thyroid diseases.
Austin Journal of Robotics & Automation is an international scholarly, peer review, Open Access journal, initiated with an aim to promote the research in Robotics & Automation, which deals with design, construction, operation, and application of robots.
Austin Journal of Robotics & Automation is a comprehensive Open Access peer reviewed scientific journal that covers multidisciplinary fields. We provide limitless access towards accessing our literature hub with colossal range of articles. The journal aims to publish high quality varied article types such as Research, Review, Short Communications, Case Reports, Perspectives (Editorials).
Austin Journal of Robotics & Automation supports the scientific modernization and enrichment in Robotics & Automation research community by magnifying access to peer reviewed scientific literary works. Austin Publishing Group also brings universally peer reviewed member journals under one roof thereby promoting knowledge sharing, collaborative and promotion of multidisciplinary technology.
Austin Journal of Orthopedics & Rheumatology is an open access, peer reviewed, scholarly journal dedicated to publish articles in all areas of Orthopedics.
The aim of the journal is to provide a forum for orthopedicians, researchers, physicians, and other health professionals to find most recent advances in the areas of Orthopedics.
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Austin Pediatrics is an open access, peer reviewed, scholarly journal committed to publish articles in all areas of science and practice of Pediatrics.
The aspire of the journal is to present a platform for scientists and academicians all over the world to encourage, distribute, and discuss various new issues and developments in different areas of Pediatrics and to promote responsible and balanced debate on controversial issues that influence child health, including non-clinical areas such as ethics, law, surroundings and economics.
Austin Pediatrics accepts innovative research articles, review articles, case reports and rapid communication on all the aspects of Pediatrics.
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Austin Otolaryngology is an open access, peer review journal publishing original research & review articles in all the fields of Otolaryngology. Otolaryngology deals with the study of ear, nose and throat. Austin Otolaryngology provides a new platform for students to publish their research work & update the latest research information in Otolaryngology.
Austin Otolaryngology is a comprehensive Open Access peer reviewed scientific Journal that covers multidisciplinary fields. We provide limitless access towards accessing our literature hub with colossal range of articles. The journal aims to publish high quality varied article types such as Research, Review, Short Communications, Case Reports, Perspectives (Editorials), Clinical Images.
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Clinics in Oncology Research is an open access, peer reviewed, scholarly journal dedicated to publish articles covering all areas of oncology.
The journal aims to promote latest information and provide a forum for oncologists, doctors, researchers, physicians, and healthcare professionals to find most recent advances in the areas of oncology. Clinics in Oncology Research accepts research articles, reviews, mini reviews, case reports and rapid communication covering all aspects of oncology.
Clinics in Oncology Research strongly support the scientific up gradation and fortification in related scientific research community by enhancing access to peer reviewed scientific literary works. Austin Publishing Group also brings universally peer reviewed journals under one roof thereby promoting knowledge sharing.
Austin Journal of Obesity & Metabolic Syndrome is an international scholarly peer reviewed Open Access journal, aims to promote the research in all the related fields of Metabolic Syndrome.
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Austin Journal of Nutrition and Food sciences is an open access, peer reviewed, scholarly journal dedicated to publish articles in all areas of nutrition and food sciences
The aim of the journal is to provide a forum for dietitians, researchers, physicians, and other health professionals to find most recent advances in the areas of clinical nutrition and nutritional disorders.
Austin Journal of Nutrition and Food sciences accepts original research articles, review articles, case reports and rapid communication on all the aspects of internal medicine.
Austin Journal of Clinical Neurology is an open access, peer reviewed, scholarly journal dedicated to publish articles in all areas of neurology, neurophysiology and stroke.
The aim of the journal is to provide a forum for neurologists, researchers, physicians, and other health professionals to find most recent advances in the areas of clinical and experimental neurology. Austin Journal of Clinical Neurology accepts original research articles, review articles, case reports, clinical images and rapid communication on all the aspects of clinical neurology and nervous system diseases.
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Austin Journal of Musculoskeletal Disorders is a peer-reviewed, open access journal published by Austin Publishers. It provides easy access to high quality Manuscripts in all related aspects of diseases and disorders that may adversely affect the function and overall effectiveness of the musculoskeletal system. The Journal focuses upon all the related aspects of musculoskeletal system disorders and the new advancements in the related treatments including Complex issues and injuries involving the musculoskeletal system and surgeries.
Austin Publishing Group is a successful host of more than hundred peer reviewed, open access journals in various fields of science and technology with intent to bridge the gap between academia and research access.
Austin Journal of Musculoskeletal Disorders accepts original research articles, review articles, case reports, mini reviews, rapid communication, opinions and editorials on all related aspects of diseases and disorders that may adversely affect the function and overall effectiveness of the musculoskeletal system.
Austin Hypertension is an open access, peer reviewed, scholarly journal dedicated to publish articles covering all areas of Hypertension.
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The dimensions of healthcare quality refer to various attributes or aspects that define the standard of healthcare services. These dimensions are used to evaluate, measure, and improve the quality of care provided to patients. A comprehensive understanding of these dimensions ensures that healthcare systems can address various aspects of patient care effectively and holistically. Dimensions of Healthcare Quality and Performance of care include the following; Appropriateness, Availability, Competence, Continuity, Effectiveness, Efficiency, Efficacy, Prevention, Respect and Care, Safety as well as Timeliness.
COVID-19 PCR tests remain a critical component of safe and responsible travel in 2024. They ensure compliance with international travel regulations, help detect and control the spread of new variants, protect vulnerable populations, and provide peace of mind. As we continue to navigate the complexities of global travel during the pandemic, PCR testing stands as a key measure to keep everyone safe and healthy. Whether you are planning a business trip, a family vacation, or an international adventure, incorporating PCR testing into your travel plans is a prudent and necessary step. Visit us at https://www.globaltravelclinics.com/
Veterinary Diagnostics Market PPT 2024: Size, Growth, Demand and Forecast til...IMARC Group
The global veterinary diagnostics market size reached US$ 6.6 Billion in 2023. Looking forward, IMARC Group expects the market to reach US$ 12.6 Billion by 2032, exhibiting a growth rate (CAGR) of 7.3% during 2024-2032.
More Info:- https://www.imarcgroup.com/veterinary-diagnostics-market
LGBTQ+ Adults: Unique Opportunities and Inclusive Approaches to CareVITASAuthor
This webinar helps clinicians understand the unique healthcare needs of the LGBTQ+ community, primarily in relation to end-of-life care. Topics include social and cultural background and challenges, healthcare disparities, advanced care planning, and strategies for reaching the community and improving quality of care.
Trauma Outpatient Center is a comprehensive facility dedicated to addressing mental health challenges and providing medication-assisted treatment. We offer a diverse range of services aimed at assisting individuals in overcoming addiction, mental health disorders, and related obstacles. Our team consists of seasoned professionals who are both experienced and compassionate, committed to delivering the highest standard of care to our clients. By utilizing evidence-based treatment methods, we strive to help our clients achieve their goals and lead healthier, more fulfilling lives.
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PET CT beginners Guide covers some of the underrepresented topics in PET CTMiadAlsulami
This lecture briefly covers some of the underrepresented topics in Molecular imaging with cases , such as:
- Primary pleural tumors and pleural metastases.
- Distinguishing between MPM and Talc Pleurodesis.
- Urological tumors.
- The role of FDG PET in NET.
Stem Cell Solutions: Dr. David Greene's Path to Non-Surgical Cardiac CareDr. David Greene Arizona
Explore the groundbreaking work of Dr. David Greene, a pioneer in regenerative medicine, who is revolutionizing the field of cardiology through stem cell therapy in Arizona. This ppt delves into how Dr. Greene's innovative approach is providing non-surgical, effective treatments for heart disease, using the body's own cells to repair heart damage and improve patient outcomes. Learn about the science behind stem cell therapy, its benefits over traditional cardiac surgeries, and the promising future it holds for modern medicine. Join us as we uncover how Dr. Greene's commitment to stem cell research and therapy is setting new standards in healthcare and offering new hope to cardiac patients.
International Cancer Survivors Day is celebrated during June, placing the spotlight not only on cancer survivors, but also their caregivers.
CANSA has compiled a list of tips and guidelines of support:
https://cansa.org.za/who-cares-for-cancer-patients-caregivers/
Feeding plate for a newborn with Cleft Palate.pptxSatvikaPrasad
A feeding plate is a prosthetic device used for newborns with a cleft palate to assist in feeding and improve nutrition intake. From a prosthodontic perspective, this plate acts as a barrier between the oral and nasal cavities, facilitating effective sucking and swallowing by providing a more normal anatomical structure. It helps to prevent milk from entering the nasal passage, thereby reducing the risk of aspiration and enhancing the infant's ability to feed efficiently. The feeding plate also aids in the development of the oral muscles and can contribute to better growth and weight gain. Its custom fabrication and proper fitting by a prosthodontist are crucial for ensuring comfort and functionality, as well as for minimizing potential complications. Early intervention with a feeding plate can significantly improve the quality of life for both the infant and the parents.
2. Austin J Comput Biol Bioinform 3(1): id1014 (2016) - Page - 02
Kereselidze J Austin Publishing Group
Submit your Manuscript | www.austinpublishinggroup.com
of glycine. As is known, in the activation stage the peptide bond
formation between two amino acids, the C-O bond of first amino
acid and the N-H bond of the second amino acid is broken and with
release of the water molecules and the C-N bond is formed (Figure
1). It has been suggested that, besides ribosome catalysis, the break
these bonds is initiated by means of water molecules also [15]. With
the aim of quantitative description of peptide bond formation by
the quantum-chemical method DFT the bond orders of carbonyl
and amino groups (PCO, PNH) and lengths of corresponding bond
(RCO, RNH), difference values of charge between C and N atoms
(∆q), as well as the activation energy (∆E#) and the reaction energy
(∆E) have been calculated. In addition, the exothermic nature of this
process (∆E<0) it was considered. The increase in bond lengths RCO
and RNH, as well as the difference of charges between carbon atom
of carbonyl group and nitrogen atom the amino group (∆q) causes
an increase in the value of the parameter of the propensity of amino
acids of peptide bond formation. This parameter we mark as Kp.
These values in the formula Kp in the numerator are placed (Table 2).
On the other hand, the decrease of bond orders PCO and the PNH, as
well as the activation energy ∆E# causes an increase in the parameter
Kp. Hence, these values in the formula in denominator are located.
Kp
= ∆q. RCO
. RNH
/ ∆E#
. PCO
. PCO
, ∆E<0
Among the 20 tables of 20 series, we present a table for series of
alanine as example.
As the table shows the highest value of the Kp (8.3) observed for
the ala-ser pair. This is in full accord with the conditions, according to
which the formula of the parameter Kp was built. Besides the serine-
alanine pair in the series of serine is quite often meet [16]. It is known
that the pairing of amino acids in proteins is encoded by sequence of
nucleotide bases of the RNA. On other hand, the formation of peptide
bonds is much dependent on the influence of inductive and steric
effects of R-groups.
Waiting correlation between morphological data and the
properties of R-groups seems hopeless, because under of their
basis lie different concepts of natural science. The search of the
correlations sometimes is thankless affair - better search the reasons
of their absence. This may be the association of the R-groups with
the ribosomal macromolecules or with water molecules. It should be
noted that the energetically (∆E#
, ∆E), electronic (qN
, qC
and ∆q; PCO
and PNH
) and geometrically (RCO
and RNH
) characteristics contained
in the table, has completely reasonable values, from the viewpoint of
chemical notions.
All 20 series are shown in the list view that contain the amino acid
pairs, for which Kp > 1, and they are located on symbating dependent
curves Kp ~ Sij (Figure 2) and Kp ~ %, (Figure 3) where Sij frequency
distribution of dipeptide [17] and % - calculated frequency of amino
acids) [18]. Many of this pairs of amino acid cited in the Senger’s
earlier works [19-21] and in [22] also. These amino acid pairs are
boldered. As seen from (Figure 2) for 11 pairs from alanine series
S No 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
1 GG AG SG CG VG PG TG LG AG AG GG TG TG GG AG HG MG LG IG PG
2 GA AA SA CA VA PA TA LA AA AA GA TA TA GA AA HA MA LA IA PA
3 GS AS SS CS VS PS TS LS AS AS GS TS TS GS AS HS MS LS IS PS
4 GC AC SC CC VC PC TC LC AC AC GC TC TC GC AC HC MC LC IC PC
5 GV AV SV CV VV PV TV LV AV AV GV TV TV GV AV HV MV LV IV PV
6 GP AP SP CP VP PP TP LP AP AP GP TP TP GP AP HP MP LP IP PP
7 GT AT ST CT VT PT TT LT AT AT GT TT TT GT AT HT MT LT IT PT
8 GL AL SL C L VL PL TL LL AL AL GL TL TL GL AL HL ML LL IL PL
9 GA AA SA CA VA PA TA LA AA AA GA TA TA GA AA HA MA LA IA PA
10 GA AA SA CA VA PA TA LA AA AA GA TA TA GA AA HA MA LA IA PA
11 GG AG SG CG VG PG TG LG AG AG GG TG TG GG AG HG MG LG IG PG
12 GT AT ST CT VT PT TT LT AT AT GT TT TT GT AT HT MT LT IT PT
13 GT AT ST CT VT PT TT LT AT AT GT TT TT GT AT HT MT LT IT PT
14 GG AG SG CG VG PG TG LG AG AG GG TG TG GG AL HL ML LL IL PL
15 GA AA SA CA VA PA TA LA AA AA GA TA TA GA AA HA MA LA IA PA
16 GH AH SH CH VH PH TH LH AH AH GH TH TH GH AH HH MH LH IH PH
17 GM AM SM CM VM PM TM LM AM AM GM TM TM GM AM HM MM LM IM PM
18 GL AL SL CL VL PL TL LL AL AL GL TL TL GL AL HL ML LL IL PL
19 GI AI SI CI VI PI TI LI AI AI GI TI TI GI AI HI MI LI II PI
20 GP AP SP CP VP PP TP LP AP AP GP TP TP GP AP HP MP LP IP PP
Table 1: All possible variants of pairing of amino acids.
C
N
C
O
O
H
H
H
C
N
C
O
H
H
H
.
O
H
O
N
H
H
O
O
H
N
H
H
H
H O
H
R
1 R
. . . .
2
2
C C
R
CC
R
1
2
Figure 1: Scheme of the peptide bond formation resulting from the interaction
of different amino acid.
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Kp symbatically depends from Sij. Hence, it can be assumed that
our proposed the Kp parameter adequately describes the ability of
the some (11) the amino acid pairs of a peptide bond formation. A
similar relationship (Figure 3) from the calculated value of the amino
acid sequency (%) is observed. Absence of complete adequacy of the
parameter Kp can be explained by the different influence of reaction
environment around the individual amino acids. However, must
hope that proposed by us a quantum-chemical formula of parameter
Kp can make a significant contribution of selection of the amino acid
pairs for peptide bond formation.
The list contains pairs of amino acids 20 series, for which KP >1
and in earlier works Senger [19-21] and [22] are found also.
Given these conditions all amino acid pairs were distributed into
three groups: low (1,1,2,2,3,3,3); middle (4,4,5,5,5,5,5) and the highest
(6,6,7,7,8,8), where the numbers indicate the number of amino acid
pairs in these series. From the suggested classification can draw some
general conclusions. In particular the pairs of amino acids from series
of tyrosine, leucine, lysine, glutamine, tryptophan and methionine
should meet more often. Relatively less high frequency observed for
the series of alanine, serine, aspartic acid, phenylalanine and glycine.
Low frequency is characteristic for a series of isoleucine, asparagine,
proline, tsisteyna, histidine, and threonine. From the individual
S No Amino acid pairs ∆E#
, kJ/mol ∆E, kJ/mol qN
qC
∆q PCO
PNH
RCO
, Å RNH
, Å KP
.
102
1 Ala-lya 52.5 -4.2 -0.135 0.175 0.31 0.94 0.76 1.45 1.1 1.32
2 Ala-Ala 65.6 17.6 -0.152 0.178 0.331 0.96 0.8 1.4 1.05 0.95
3 Ala-Ser 6.3 -44.6 -0.122 0.172 0.294 0.77 0.59 1.6 1.25 8.3
4 Ala-Cys 88.9 36.7 -0.165 0.171 0.336 0.89 0.8 1.4 1.05 0.79
5 Ala-Val 68.2 0.7 -0.14 0.181 0.321 0.93 0.77 1.45 1.1 1.06
6 Ala-Phe 55.1 3.4 -0.137 0.174 0.311 0.92 0.76 1.45 1.1 1.33
7 Ala-Thr 76.1 26.2 -0.162 0.178 0.34 0.95 0.81 1.4 1.05 0.85
8 Ala-Lys 78.7 26.1 -0.151 0.177 0.328 0.91 0.81 1.4 1.05 0.75
9 Ala-Asn 65.6 15.7 -0.139 0.177 0.316 0.92 0.76 1.45 1.1 1.07
10 Ala-Asp 56.4 2.1 -0.145 0.174 0.319 0.93 0.82 1.4 1.05 1.09
11 Ala-Gln 36.7 15.7 -0.136 0.179 0.315 0.92 0.76 1.45 1.1 1.52
12 Ala-Trp 57.8 3.9 -0.138 0.173 0.311 0.93 0.75 1.45 1.1 1.22
13 Ala-Tyr 82.2 28.9 -0.153 0.177 0.33 0.91 0.88 1.4 1.05 0.78
14 Ala-Glu 92.9 5.2 -0.129 0.172 0.301 0.86 0.77 1.45 1.1 0.79
15 Ala-Arg 76.1 14.2 -0.157 0.176 0.333 0.94 0.81 1.4 1.05 0.83
16 Ala-His 70.9 22.3 -0.148 0.176 0.324 0.97 0.81 1.4 1.05 0.84
17 Ala-Met 73.5 24.1 -0.143 0.178 0.321 0.97 0.81 1.4 1.05 0.81
18 Ala-Leu 52 1.3 -0.133 0.174 0.307 0.9 0.76 1.45 1.1 1.25
19 Ala-Ile 57.7 2.3 -0.135 0.174 0.309 0.92 0.76 1.45 1.1 1.22
20 Ala-Pro 60.4 7.9 -0.079 0.17 0.249 0.89 0.76 1.45 1.1 0.97
Table 2: Quantum-chemical characteristics for the alanine series.
Figure 2: Dependency of the parameter of propensity of amino acids of
peptide bond formation (KP
) from the normalized frequency distribution matrix
(SIJ
) [9]. 1: ala-gly; 2: ala-gln; 3: ala-leu; 4: ala-asn; 5: ala-val; 6: ala-pro; 7:
ala-arg; 8: ala-ile; 9: ala-thr; 10: ala-tyr; 11: ala-lys.
Figure 3: Dependency of the parameter of propensity of amino acids of
peptide bond formation (KP
) from the calculated frequency (%) [18]. 1: arg-
arg; 2: glu-ser; 3: pro-pro; 4: gln-gln; 5: glu-pro; 6: asn-asn; 7: his-pro; 8:
his-glu; 9: ile-met; 10: his-sis.
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amino acids the high frequency is characterized alanine (7), serine
(9), glycine (10), lysine (11) and [23].
1. seria (ala): ala-gly; ala-leu; ala-asn; ala-val. (4)
2. seria (cys): cys-thr; cys-his. (2)
3. seria (asp): asp-leu; asp-asp; asp-glu; asp-phe; asp-trp. (5)
4. seria (glu): glu-ser; glu-cys; glu-gly; glu-val; glu-leu; glu-
asp; glu-trp. (7)
5. seria (phe): phe-asp; phe-ser; phe-gly; phe-lys; phe-ile. (5)
6. seria (gly): gly-glu; gly-leu; gly-val; gly-cys; gly-met. (5)
7. seria (his): his-phe; his-his; his-asn. (3)
8. seria (ile): ile-cys. (1)
9. seria (lys): lys-his; lys-tyr; lys-gly; lys-ala; lys-ser; lys-leu;
lys-pro. (7)
10. seria (leu): leu-ile; leu-arg; leu-phe; leu-val; leu-ala; leu-
leu; leu-gly; leu-trp. (8)
11. seria (met):met-his; met-tyr; met-pro; met-trp; met-ser;
met-gln. (6)
12. seria (asn): asn-lys. (1)
13. seria (pro): pro-pro; pro-val. (2)
14. seria (gln): gln-cys; gln-lys; gln-phe; gln-val; gln-gln. (5)
15. seria (arg): arg-phe; arg-gln; arg-leu; arg-val; arg-gly. (5)
16. seria (ser): ser-trp; ser-ser; ser-his; ser-ala. (4)
17. seria (thr): thr-leu; thr-val; thr-pro. (3)
18. seria (val): val-gln; val-trp; val-leu. (3)
19. seria (trp): trp-ile; trp-met; trp-leu; trp-asn; trp-ser; trp-
thr. (6)
20. seria (tyr): tyr-tyr; tyr-ser; tyr-pro; tyr-ile; tyr-met; tyr-
asn; tyr-gly; tyr-lys. (8) (Figure 1).
The symbatic dependence of the Kp from Sij is observed for only
11 pairs of amino acids from the series of alanine. Such selection of
the amino acids pairs probably is caused by different direction of
influence of inductive and steric effect of R-groups with respect to
formation of peptide bonds. In other words, one R-group can promote
other - prevent the formation of peptide bond. The dependence of
Kp from the calculated frequency (%) [18] for the ten pairs of amino
acids from different series is also a symbiotic (Figure 3). The similar
situation can be expected from the remaining 19 series of amino acid
pairs. From Figure 4 can be seen that the calculated frequency (%)
of the nine amino acids symbatically depends on the charge of the
carbon atom (qC
) of the carboxy group. This relationship is consistent
with the known phenomenon that in the step of initiating a amino
acids aminoacyl adenylic acid on this carbon atom is acts. The higher
the value qC
the more the calculated frequency (%) [9].
Conclusion
The proposed quantum-chemical formula, which includes the
calculated values of energetic, electronic and structural characteristics
of amino acids can be applied for quantitative description of the
propensity of amino acids for the peptide bond formation as these
values quantitatively describe inductive and steric influence of
R-groups of amino acids on the reaction center during the peptide
bond formation. These factors together with the coding by means
nucleotide bases can have an important role in the study of the amino
acid sequences in proteins. According to Atkins the orderliness can
turn into chaos, and in certain conditions, from chaos it is possible
the formation of the orderliness also [23].
Acknowledgment
This work was supported by the European Commission FP7,
Progect High-perfomance Computing Infrastructure for South East
Europe’s Research Communities, Grant No: 261499.
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Figure 4: The dependency of the calculated frequency of amino acids (%) [9]
from the charge of carbon atom of carboxy group (qc
). 1-Met; 2-Cys; 3- Asn;
4-Phe; 5- Asp; 6-Glu; 7-Val; 8-Ser; 9-Ala.