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Wyświetlanie 1-20 z 308708

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Tytuł:
Rapid determination of the relative configuration of diverse 8,4'-oxyneolignans by NMR analysis: Retrospective studies, improvement and structural revision.
Autorzy:
Zhao P; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Lou LL; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Xin BS; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Li ZY; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Guo R; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Zhou WY; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Lv TM; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China.
Huang XX; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China. Electronic address: .
Song SJ; Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, China; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province, China; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang, China; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China. Electronic address: .
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Źródło:
Phytochemistry [Phytochemistry] 2023 Oct; Vol. 214, pp. 113801. Date of Electronic Publication: 2023 Jul 26.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Structure*
Retrospective Studies ; 1-(5-Isoquinolinesulfonyl)-2-Methylpiperazine ; Magnetic Resonance Spectroscopy/methods ; Molecular Conformation
Czasopismo naukowe
Szczegóły
Tytuł:
Mechanical Way To Study Molecular Structure of Pericellular Layer.
Autorzy:
Makarova N; Department of Mechanical Engineering, Tufts University, Medford, Massachusetts 02155, United States.
Lekka M; Department of Biophysical Microstructures, Institute of Nuclear Physics PAN, PL-31342 Kraków, Poland.
Gnanachandran K; Department of Biophysical Microstructures, Institute of Nuclear Physics PAN, PL-31342 Kraków, Poland.
Sokolov I; Department of Mechanical Engineering, Tufts University, Medford, Massachusetts 02155, United States.; Department of Physics, Tufts University, Medford, Massachusetts 02155, United States.
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Źródło:
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Aug 02; Vol. 15 (30), pp. 35962-35972. Date of Electronic Publication: 2023 Jul 25.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Structure*
Elastic Modulus ; Microscopy, Atomic Force/methods
Czasopismo naukowe
Szczegóły
Tytuł:
Chemical similarity of molecules with physiological response.
Autorzy:
Redžepović I; Department of Chemistry, Faculty of Science, University of Kragujevac, P. O. Box 60, 34000, Kragujevac, Serbia. .
Furtula B; Department of Chemistry, Faculty of Science, University of Kragujevac, P. O. Box 60, 34000, Kragujevac, Serbia.
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Źródło:
Molecular diversity [Mol Divers] 2023 Aug; Vol. 27 (4), pp. 1603-1612. Date of Electronic Publication: 2022 Aug 17.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Structure*
Czasopismo naukowe
Szczegóły
Tytuł:
Michael R. Green (1954-2023).
Autorzy:
Roeder RG; The Rockefeller University, New York, NY, USA. Electronic address: .
Deibler SK; UMass Chan Medical School, Worcester, MA, USA.
Jacobson A; UMass Chan Medical School, Worcester, MA, USA.
Lillie JW; MapLight Therapeutics, Inc, Palo Alto, CA, USA.
Rosbash M; Howard Hughes Medical Institute, Brandeis University, Waltham, MA, USA.
Singer RH; Albert Einstein College of Medicine, Bronx, NY, USA.
Wajapeyee N; University of Alabama at Birmingham, Birmingham, AL, USA.
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Źródło:
Molecular cell [Mol Cell] 2023 Jul 06; Vol. 83 (13), pp. 2152-2154.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Structure*
Catalysis
Czasopismo naukowe
Szczegóły
Tytuł:
Recent Developments in Intermolecular Cross-Rauhut-Currier Reactions.
Autorzy:
Biswas S; Department of Chemistry, Indian Institute of Technology Guwahati, Assam, India, 781039.
Bania N; Department of Chemistry, Indian Institute of Technology Guwahati, Assam, India, 781039.
Chandra Pan S; Department of Chemistry, Indian Institute of Technology Guwahati, Assam, India, 781039.
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Źródło:
Chemical record (New York, N.Y.) [Chem Rec] 2023 Jul; Vol. 23 (7), pp. e202200257. Date of Electronic Publication: 2023 Jan 26.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Molecular Structure*
Stereoisomerism ; Catalysis
Czasopismo naukowe
Szczegóły
Tytuł:
Gram-Scale Total Synthesis of (±)-Ibogamine.
Autorzy:
Hughes AJ; Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
Townsend SD; Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States.
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Źródło:
Organic letters [Org Lett] 2023 Jun 23; Vol. 25 (24), pp. 4567-4570. Date of Electronic Publication: 2023 Jun 13.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Structure*
Alkylation ; Cyclization
Czasopismo naukowe
Szczegóły
Tytuł:
CsPbBr 3 Perovskite Photocatalyst in Chemodivergent Functionalization of N -Methylalkanamides Using CBr 4 .
Autorzy:
Pal B; School of Chemical Sciences, National Institute of Science Education and Research (NISER), An OCC of Homi Bhabha National Institute, Jatni, Bhubaneswar, District Khurda, Odisha 752050, India.
Mathuri A; School of Chemical Sciences, National Institute of Science Education and Research (NISER), An OCC of Homi Bhabha National Institute, Jatni, Bhubaneswar, District Khurda, Odisha 752050, India.
Manna A; School of Chemical Sciences, National Institute of Science Education and Research (NISER), An OCC of Homi Bhabha National Institute, Jatni, Bhubaneswar, District Khurda, Odisha 752050, India.
Mal P; School of Chemical Sciences, National Institute of Science Education and Research (NISER), An OCC of Homi Bhabha National Institute, Jatni, Bhubaneswar, District Khurda, Odisha 752050, India.
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Źródło:
Organic letters [Org Lett] 2023 Jun 09; Vol. 25 (22), pp. 4075-4079. Date of Electronic Publication: 2023 May 26.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Structure*
Czasopismo naukowe
Szczegóły
Tytuł:
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study.
Autorzy:
Kumar YB; Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, Assam, India.; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India.
Pandey A; Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, Assam, India.
Kumar N; Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, Assam, India.
Sastry GN; Advanced Computation and Data Sciences Division, CSIR-North East Institute of Science and Technology, Jorhat, Assam, India.; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, Uttar Pradesh, India.
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Źródło:
Journal of computational chemistry [J Comput Chem] 2023 Jan 30; Vol. 44 (3), pp. 432-441. Date of Electronic Publication: 2022 Aug 15.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Structure*
Cations
Czasopismo naukowe
Szczegóły
Tytuł:
Synthesis and Studies of Fused Benzo-Benzisapphyrins.
Autorzy:
Yadav B; Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
Isar P; Institute for Experimental Molecular Imaging, University Clinic, RWTH Aachen University, Forckenbeckstraβe 55, 52074 Aachen, Germany.
Ravikanth M; Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
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Źródło:
The Journal of organic chemistry [J Org Chem] 2023 Jan 06; Vol. 88 (1), pp. 395-402. Date of Electronic Publication: 2022 Dec 16.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Structure*
Oxidation-Reduction ; Mass Spectrometry ; Magnetic Resonance Spectroscopy
Czasopismo naukowe
Szczegóły
Tytuł:
Crystal structures and molecular dynamics simulations of a humanised antibody fragment at acidic to basic pH.
Autorzy:
Tang, Jiazhi (AUTHOR)
Zhang, Cheng (AUTHOR)
Castillo, Nuria Codina (AUTHOR)
Lalaurie, Christophe J. (AUTHOR)
Gao, Xin (AUTHOR)
Dalby, Paul A. (AUTHOR)
Kozielski, Frank (AUTHOR)
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Źródło:
Scientific Reports. 11/20/2023, Vol. 13 Issue 1, p1-14. 14p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers.
Autorzy:
El-Demerdash, Safinaz H. (AUTHOR)
Halim, Shimaa Abdel (AUTHOR)
El-Nahas, Ahmed M. (AUTHOR)
El-Meligy, Asmaa B. (AUTHOR)
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Źródło:
Scientific Reports. 11/20/2023, Vol. 13 Issue 1, p1-17. 17p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Computational design of novel Cas9 PAM-interacting domains using evolution-based modelling and structural quality assessment.
Autorzy:
Malbranke, Cyril (AUTHOR)
Rostain, William (AUTHOR)
Depardieu, Florence (AUTHOR)
Cocco, Simona (AUTHOR)
Monasson, Rémi (AUTHOR)
Bikard, David (AUTHOR)
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Źródło:
PLoS Computational Biology. 11/17/2023, Vol. 19 Issue 11, p1-25. 25p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data.
Autorzy:
Kim, Hyun Woo (AUTHOR)
Zhang, Chen (AUTHOR)
Reher, Raphael (AUTHOR)
Wang, Mingxun (AUTHOR)
Alexander, Kelsey L. (AUTHOR)
Nothias, Louis-Félix (AUTHOR)
Han, Yoo Kyong (AUTHOR)
Shin, Hyeji (AUTHOR)
Lee, Ki Yong (AUTHOR)
Lee, Kyu Hyeong (AUTHOR)
Kim, Myeong Ji (AUTHOR)
Dorrestein, Pieter C. (AUTHOR)
Gerwick, William H. (AUTHOR)
Cottrell, Garrison W. (AUTHOR)
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Źródło:
Journal of Cheminformatics. 11/18/2023, Vol. 15 Issue 1, p1-12. 12p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
In silico investigation on interaction of small Ag6 nano-particle cluster with tyramine neurotransmitter.
Autorzy:
Chakroborty, Subhendu (AUTHOR)
Shakerzadeh, E. (AUTHOR)
Yadav, T. (AUTHOR)
Mishra, Nilima Priyadarsini (AUTHOR)
Barik, Arundhati (AUTHOR)
Upadhyay, Versha (AUTHOR)
Abhilasha (AUTHOR)
Soren, Siba (AUTHOR)
Malviya, Jitendra (AUTHOR)
Panda, Amiya Ranjan (AUTHOR)
Uniyal, Kartik (AUTHOR)
Kumar, Narendra (AUTHOR)
Wagadre, Shradha (AUTHOR)
Pandey, F. P. (AUTHOR)
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Źródło:
Scientific Reports. 11/18/2023, Vol. 13 Issue 1, p1-9. 9p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Applying Bayesian inference and deterministic anisotropy to retrieve the molecular structure ∣Ψ(R)∣ distribution from gas-phase diffraction experiments.
Autorzy:
Hegazy, Kareem (AUTHOR)
Makhija, Varun (AUTHOR)
Bucksbaum, Phil (AUTHOR)
Corbett, Jeff (AUTHOR)
Cryan, James (AUTHOR)
Hartmann, Nick (AUTHOR)
Ilchen, Markus (AUTHOR)
Jobe, Keith (AUTHOR)
Li, Renkai (AUTHOR)
Makasyuk, Igor (AUTHOR)
Shen, Xiaozhe (AUTHOR)
Wang, Xijie (AUTHOR)
Weathersby, Stephen (AUTHOR)
Yang, Jie (AUTHOR)
Coffee, Ryan (AUTHOR)
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Źródło:
Communications Physics. 11/13/2023, Vol. 6 Issue 1, p1-17. 17p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Wyświetlanie 1-20 z 308708

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