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Wyszukujesz frazę ""Hydrogen Bonding"" wg kryterium: Temat


Tytuł:
Effect of electronegative atoms on π - π stacking and hydrogen bonding behavior in simple aromatic molecules - An Ab initio MD study.
Autorzy:
Banerjee S; School of Chemical Sciences, National Institute of Science Education & Research, An OCC of Homi Bhabha National Institute, P.O.: Jatni, Khurda, Odisha 752050, India.
Bhargava BL; School of Chemical Sciences, National Institute of Science Education & Research, An OCC of Homi Bhabha National Institute, P.O.: Jatni, Khurda, Odisha 752050, India. Electronic address: .
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Źródło:
Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Mar; Vol. 127, pp. 108693. Date of Electronic Publication: 2023 Dec 07.
Typ publikacji:
Journal Article
MeSH Terms:
Fluorine*
Fluorobenzenes*
Hydrogen Bonding ; Phenol/chemistry ; Aniline Compounds ; Oxygen ; Nitrogen
Czasopismo naukowe
Tytuł:
Engineering Sizable and Broad-Spectrum Antibacterial Fabrics through Hydrogen Bonding Interaction and Electrostatic Interaction.
Autorzy:
Wang Y; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Zhao WB; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Li FK; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Chang SL; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Cao Q; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Guo R; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Song SY; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
Liu KK; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.; Institute of Quantum Materials and Physics, Henan Academy of Sciences, Zhengzhou 450046, China.
Shan CX; Henan Key Laboratory of Diamond Optoelectronic Materials and Devices, Key Laboratory of Material Physics, Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China.
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Źródło:
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Feb 21; Vol. 16 (7), pp. 8321-8332. Date of Electronic Publication: 2024 Feb 08.
Typ publikacji:
Journal Article
MeSH Terms:
Escherichia coli*
Zinc Oxide*/pharmacology
Staphylococcus aureus ; Hydrogen Bonding ; Static Electricity ; Anti-Bacterial Agents/pharmacology
Czasopismo naukowe
Tytuł:
Ab initio Modeling of Hydrogen Bonding of Remdesivir and Adenosine with Uridine.
Autorzy:
Vishwakarma K; School of Advance Science and Languages, VIT Bhopal University, Kothrikalan, Sehore, Madhya, Pradesh, 466114, India.
Ravi S; School of Advance Science and Languages, VIT Bhopal University, Kothrikalan, Sehore, Madhya, Pradesh, 466114, India.
Mittal S; School of Advance Science and Languages, VIT Bhopal University, Kothrikalan, Sehore, Madhya, Pradesh, 466114, India.
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Źródło:
Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2024 Feb 01; Vol. 25 (3), pp. e202300552. Date of Electronic Publication: 2023 Dec 13.
Typ publikacji:
Journal Article
MeSH Terms:
Adenosine*
Quantum Theory*
Alanine/*analogs & derivatives
Hydrogen Bonding ; Uridine ; Adenosine Monophosphate/pharmacology
Czasopismo naukowe
Tytuł:
Screening of Organic Small Molecule Excipients on Ternary Solid Dispersions Based on Miscibility and Hydrogen Bonding Analysis: Experiments and Molecular Simulation.
Autorzy:
Zhang S; State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, People's Republic of China.
Wang H; State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, People's Republic of China.
Zhao X; State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, People's Republic of China.
Xu H; Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing, 100005, People's Republic of China. .
Wu S; State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, People's Republic of China. .
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Źródło:
AAPS PharmSciTech [AAPS PharmSciTech] 2024 Jan 24; Vol. 25 (1), pp. 21. Date of Electronic Publication: 2024 Jan 24.
Typ publikacji:
Journal Article
MeSH Terms:
Excipients*
Molecular Dynamics Simulation*
Hydrogen Bonding ; Carbamazepine ; Drug Delivery Systems ; Polymers
Czasopismo naukowe
Tytuł:
Hydrogen-Bonding Interactions from Nucleobase-Decorated Supramolecular Polymer: Synthesis, Self-Assembly and Biomedical Applications.
Autorzy:
Ilhami FB; Department of Natural Science, Faculty of Mathematics and Natural Science, Universitas Negeri Surabaya, Surabaya 60231, Indonesia.
Birhan YS; Department of Chemistry, College of Natural and Computational Sciences, Debre Markos University, P.O. Box 269, Debre Markos 00000, Ethiopia.
Cheng CC; Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, Taipei 10607, Taiwan.
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Źródło:
ACS biomaterials science & engineering [ACS Biomater Sci Eng] 2024 Jan 08; Vol. 10 (1), pp. 234-254. Date of Electronic Publication: 2023 Dec 16.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Biocompatible Materials*
Nanostructures*
Hydrogen Bonding ; Polymers/chemistry ; Hydrogen
Czasopismo naukowe
Tytuł:
Enhancement of intermolecular aggregation on solvent-influenced strong hydrogen-bonded single crystal.
Autorzy:
Rajakumar K; South Ural State University National Research University, Chelyabinsk, Russia.
Nekorysnova NS; South Ural State University National Research University, Chelyabinsk, Russia.
Dorovatovskii PV; Department of Synchrotron Experimental Stations, National Research Center Kurchatov Institute, Moscow, Russia.
Osipov AA; South Ural State University National Research University, Chelyabinsk, Russia.
Nayfert SA; South Ural State University National Research University, Chelyabinsk, Russia.
Efremov AN; South Ural State University National Research University, Chelyabinsk, Russia.
Santhanaraj D; Department of Chemistry, Loyola College, Chennai, India.
Ramkumar V; School of Chemical Engineering, Yeungnam University, Gyeongsan, Republic of Korea.
Tolstoguzov DS; South Ural State University National Research University, Chelyabinsk, Russia.
Zherebtsov DA; South Ural State University National Research University, Chelyabinsk, Russia.
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Źródło:
Luminescence : the journal of biological and chemical luminescence [Luminescence] 2024 Jan; Vol. 39 (1), pp. e4678.
Typ publikacji:
Journal Article
MeSH Terms:
Dimethyl Sulfoxide*/chemistry
Solvents/chemistry ; Crystallography, X-Ray ; Hydrogen Bonding
Czasopismo naukowe
Tytuł:
Conformational changes in a Photosystem II hydrogen bond network stabilize the oxygen-evolving complex.
Autorzy:
Russell BP; Department of Biological Sciences, Louisiana State University, 202 Life Sciences Building, Baton Rouge, LA 70803, United States of America.
Vinyard DJ; Department of Biological Sciences, Louisiana State University, 202 Life Sciences Building, Baton Rouge, LA 70803, United States of America. Electronic address: .
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Źródło:
Biochimica et biophysica acta. Bioenergetics [Biochim Biophys Acta Bioenerg] 2024 Jan 01; Vol. 1865 (1), pp. 149020. Date of Electronic Publication: 2023 Nov 11.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Photosystem II Protein Complex*/metabolism
Synechocystis*/metabolism
Protons ; Hydrogen Bonding ; Oxygen/metabolism
Czasopismo naukowe
Tytuł:
Hybrid 2D Supramolecular Organic Frameworks (SOFs) Assembled by the Cooperative Action of Hydrogen and Halogen Bonding and π⋯π Stacking Interactions.
Autorzy:
Baykov, Sergey V. (AUTHOR)
Semenov, Artem V. (AUTHOR)
Presnukhina, Sofia I. (AUTHOR)
Tarasenko, Marina V. (AUTHOR)
Shetnev, Anton A. (AUTHOR)
Frontera, Antonio (AUTHOR)
Boyarskiy, Vadim P. (AUTHOR)
Kukushkin, Vadim Yu. (AUTHOR)
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Źródło:
International Journal of Molecular Sciences. Feb2024, Vol. 25 Issue 4, p2062. 13p.
Czasopismo naukowe
Tytuł:
Does Inter-Residue Hydrogen Bonding in β-(1→4)-Linked Disaccharides Influence Linkage Conformation in Aqueous Solution?
Autorzy:
Zhang W; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Meredith RJ; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Wang X; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
Woods RJ; Complex Carbohydrate Research Center, University of Georgia, Athens, Georgia 30602, United States.
Carmichael I; Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Serianni AS; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
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Źródło:
The journal of physical chemistry. B [J Phys Chem B] 2024 Mar 14; Vol. 128 (10), pp. 2317-2325. Date of Electronic Publication: 2024 Feb 28.
Typ publikacji:
Journal Article
MeSH Terms:
Disaccharides*/chemistry
Glycosides*/chemistry
Hydrogen Bonding ; Molecular Conformation ; Computer Simulation ; Water ; Carbohydrate Conformation
Czasopismo naukowe
Tytuł:
Submillisecond Atomistic Molecular Dynamics Simulations Reveal Hydrogen Bond-Driven Diffusion of a Guest Peptide in Protein-RNA Condensate.
Autorzy:
Unarta IC; Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.; Theoretical Chemistry Institute, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Cao S; Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.; Theoretical Chemistry Institute, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Goonetilleke EC; Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.; Theoretical Chemistry Institute, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Niu J; Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Gellman SH; Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Huang X; Department of Chemistry, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.; Theoretical Chemistry Institute, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
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Źródło:
The journal of physical chemistry. B [J Phys Chem B] 2024 Mar 14; Vol. 128 (10), pp. 2347-2359. Date of Electronic Publication: 2024 Feb 28.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Dynamics Simulation*
RNA*
Hydrogen Bonding ; Peptides/chemistry ; Proteins ; Arginine/chemistry ; Lysine/chemistry ; Cations
Czasopismo naukowe
Tytuł:
Molecular Dynamics Simulations of Polyelectrolyte Complexes.
Autorzy:
Rajpersaud T; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States.
Tabandeh S; Department of Materials Science and Engineering, University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816, United States.
Leon L; Department of Materials Science and Engineering, University of Central Florida, 4000 Central Florida Boulevard, Orlando, FL 32816, United States.
Loverde SM; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States.; Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, NY 10314, United States.; Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, New York, NY 10016, United States.; Ph.D. Program in Physics, The Graduate Center of the City University of New York, New York, NY 10016, United States.
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Źródło:
Biomacromolecules [Biomacromolecules] 2024 Mar 11; Vol. 25 (3), pp. 1468-1480. Date of Electronic Publication: 2024 Feb 17.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Dynamics Simulation*
Peptides*/chemistry
Polyelectrolytes/chemistry ; Amino Acid Sequence ; Protein Structure, Secondary ; Hydrogen Bonding
Czasopismo naukowe
Tytuł:
Wearable Sensor Based on a Tough Conductive Gel for Real-Time and Remote Human Motion Monitoring.
Autorzy:
Yang Y; School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng West Road, Hengyang, Hunan 421001, P. R. China.
Yao C; School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng West Road, Hengyang, Hunan 421001, P. R. China.
Huang WY; School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng West Road, Hengyang, Hunan 421001, P. R. China.
Liu CL; School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng West Road, Hengyang, Hunan 421001, P. R. China.
Zhang Y; School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng West Road, Hengyang, Hunan 421001, P. R. China.
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Źródło:
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Mar 06; Vol. 16 (9), pp. 11957-11972. Date of Electronic Publication: 2024 Feb 23.
Typ publikacji:
Journal Article
MeSH Terms:
Hydrogels*
Humans ; Clay ; Electric Conductivity ; Hydrogen Bonding ; Motion ; Solvents
Czasopismo naukowe
Tytuł:
Elucidating the influence of electrostatic force on the re-arrangement of H-bonds of protein polymers in the presence of salts.
Autorzy:
Basu T; Department of Chemical Engineering, Indian Institute of Technology Hyderabad, Telangana, 502285, India. .
Das S; Department of Chemical Engineering, Indian Institute of Technology Hyderabad, Telangana, 502285, India. .
Majumdar S; Department of Chemical Engineering, Indian Institute of Technology Hyderabad, Telangana, 502285, India. .
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Źródło:
Soft matter [Soft Matter] 2024 Mar 06; Vol. 20 (10), pp. 2361-2373. Date of Electronic Publication: 2024 Mar 06.
Typ publikacji:
Journal Article
MeSH Terms:
Salts*/chemistry
Proteins*
Hydrogen Bonding ; Static Electricity ; Sodium Chloride ; Protein Structure, Secondary ; Ions
Czasopismo naukowe
Tytuł:
Asparagine-85 Stabilizes a Structural Active Site Water Network in CYP121A1 of Mycobacterium tuberculosis .
Autorzy:
Campomizzi CS; Department of Biochemistry, Jacobs School of Medicine and Biomedical Science, University at Buffalo, Buffalo, New York 14203, United States.
Uttamrao PP; Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India.
Stallone JJ; Department of Biochemistry, Jacobs School of Medicine and Biomedical Science, University at Buffalo, Buffalo, New York 14203, United States.
Rathinavelan T; Department of Biotechnology, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India.
Estrada DF; Department of Biochemistry, Jacobs School of Medicine and Biomedical Science, University at Buffalo, Buffalo, New York 14203, United States.
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Źródło:
Biochemistry [Biochemistry] 2024 Mar 05; Vol. 63 (5), pp. 711-722. Date of Electronic Publication: 2024 Feb 21.
Typ publikacji:
Journal Article
MeSH Terms:
Mycobacterium tuberculosis*
Catalytic Domain ; Asparagine ; Water ; Cytochrome P-450 Enzyme System/metabolism ; Carbon ; Hydrogen Bonding
Czasopismo naukowe

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