A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods
Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2023 Organic compounds like 2,2’-Bithiophene (with a synonym. 2,2'-bithienyl, 2,2'-dithienyl)-containing bis(dioxaborin) have drawn significant concern in the area of materials science because of their electron affinity and luminescent properties.
Feride Pınar Özturan +3 more
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A Karplus Equation for the Conformational Analysis of Organic Molecular Crystals [PDF]
, 2019 In the liquid state, vicinal J couplings (3J) have been extensively used for conformational analysis of organic compounds, peptides and proteins through the use of empirical Karplus equations.
Pierre, Thureau +4 more
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Fluorescence-based methods to study rapid dynamics and conformational flexibility in peptides [PDF]
, 2004 Intramolecular collision of polypeptides is the primary step in protein folding, the dynamics of which is of importance for understanding this fascinating topic.
Huang, Fang
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Conformations of 2-phenyl-3-pyridylpropenoic acid (alpha-phenyl pyridylcinnamic acid) dimers – A computational study [PDF]
, 2005 Motivation. Cinnamic acid analogs are not only important parts of the shikimic acid metabolic pathway of higher plants but it is possible to assemble, particularly from those containing oxygen or nitrogen heteroatoms, various patterned structures kept ...
Pálinkó István, Pálinkó, István
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Comprehensive Investigation of Polymorphic Stability and Phase Transformation Kinetics in Tegoprazan
PharmaceuticsBackground/Objectives: Tegoprazan (TPZ) is a potassium-competitive acid blocker (P-CAB) used to treat conditions such as gastroesophageal reflux disease, peptic ulcer, and Helicobacter pylori infection.
Joo Ho Lee +6 more
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Synthesis and Conformational Analysis of Naphthoxazine-Fused Phenanthrene Derivatives
Molecules, 2020 The synthesis of new phenanthr[9,10-e][1,3]oxazines was achieved by the direct coupling of 9-phenanthrol with cyclic imines in the modified aza-Friedel–Crafts reaction followed by the ring closure of the resulting bifunctional aminophenanthrols with ...
Khadija Belasri +6 more
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Synthetic explorations of the briarane jungle: progress in developing a synthetic route to a common family of diterpenoid natural products [PDF]
Royal Society Open Science, 2018 The briarane diterpenoids are a large family of marine natural products that have been primarily isolated from gorgonian octocorals around the world.
Nicholas G. Moon, Andrew M. Harned
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Emerging conformational-analysis protocols from the RTCONF-16K reaction thermochemistry conformational benchmark set [PDF]
Here, we provide a new, realistic reactive conformational analysis benchmark set (RTCONF-16) based on state-of-the-art and cost-efficient methods to assess different protocols.
Bence Balázs, Mészáros +3 more
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Life, 2023 The present work continues our recent series of articles that aim to elucidate the ligand–receptor binding mechanism of short cationic peptides to the NaV1.8 channel in the nociceptive neuron.
Arina D. Kalinina +9 more
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Dimerization and ligand binding in tyrosylprotein sulfotransferase-2 are influenced by molecular motions [PDF]
, 2016 Tyrosylprotein sulfotransferase-2 catalyses important, but a less explored posttranslational modification of proteins. The crystallographic structure of the full complex, containing the enzyme, PAPS cofactor and the peptide substrate (WTFC) revealed ...
Karabencheva-Christova, T. G. +10 more
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