Characterization of the Conformational Properties of Soluble and Insoluble Proteins by Fourier Transform Infrared Spectroscopy.
Sign Up to like & getrecommendations! Published in 2022 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1859-2_26
Abstract: The FTIR (micro-)spectroscopy method applied to the study of the structural properties of different soluble and insoluble proteins will be illustrated. In particular, we will discuss the procedure to analyze proteins in form of hydrated… read more here.
Keywords: conformational properties; spectroscopy; insoluble proteins; characterization conformational ... See more keywords
Tautomeric and conformational properties of dipivaloylmethane
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.09.003
Abstract: Abstract The tautomeric and structural properties of 5-hydroxy-2,2,6,6-tetramethyl-3-heptanone, (dipivaloylmethane, C(CH3)3C(O)CH2C(O)C(CH3)3) have been studied by means of gas-phase electron diffraction (GED) and quantum chemical calculations (B3LYP and MP2 approximation with different basis sets up to aug-cc-pVTZ).… read more here.
Keywords: tautomeric conformational; chemistry; group; properties dipivaloylmethane ... See more keywords
Conformational properties and spectroscopic characterization of m-chlorosulfinylaniline
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.11.024
Abstract: Abstract In the present work we report a combined experimental and theoretical study on the molecular structure and vibrational spectra of m- chlorosulfinylaniline. The substance was characterized by 1 H and 13 C NMR and… read more here.
Keywords: spectroscopic characterization; chlorosulfinylaniline; conformational properties; properties spectroscopic ... See more keywords
Study of the structural and conformational properties of fluoro-substituted thioacetanilide derivatives
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128768
Abstract: Abstract The assessment of the influence of a halogen atom in the structural, vibrational and conformational properties of o-, m- and p-fluorothioacetanilide derivatives was achieved through different methodologies. For all compounds infrared (FTIR) and nuclear… read more here.
Keywords: substituted thioacetanilide; fluoro substituted; conformational properties; properties fluoro ... See more keywords
Analysis of the effects of trifluoromethyl group on the conformational properties of meta substituted thioacetanilide
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.130259
Abstract: Abstract Derivatives of thioacetanilide show a conformational equilibrium of the anti and syn forms, anti or syn with respect to the N H and C = S bonds, respectively, which vary with the different experimental conditions of… read more here.
Keywords: conformational properties; effects trifluoromethyl; trifluoromethyl group; group conformational ... See more keywords
Conformational Properties of End-Grafted Bottlebrush Polymers
Sign Up to like & getrecommendations! Published in 2021 at "Macromolecules"
DOI: 10.1021/acs.macromol.0c01586
Abstract: Scaling analysis combined with free-energy calculations and molecular dynamics simulations of a coarse-grained bead-spring model have been used to study the structural properties of planar brushes ... read more here.
Keywords: properties end; bottlebrush polymers; conformational properties; grafted bottlebrush ... See more keywords
Sequence-Dependent Conformational Properties of PGGG Motif in Tau Repeats: Insights from Molecular Dynamics Simulations of Narrow Pick Filament.
Sign Up to like & getrecommendations! Published in 2022 at "ACS chemical neuroscience"
DOI: 10.1021/acschemneuro.2c00602
Abstract: Tauopathies are a class of neurodegenerative diseases correlated with the presence of pathological Tau fibrils as a diagnostic marker. The microtubule-binding repeat region of Tau protein, which includes R1, R2, R3, and R4 repeats, constitutes… read more here.
Keywords: narrow pick; tau; molecular dynamics; sequence ... See more keywords
Conformational Properties of a Peptidic Catalyst: Insights from NMR Spectroscopic Studies.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.8b05459
Abstract: Peptides have become valuable as catalysts for a variety of different reactions, but little is known about the conformational properties of peptidic catalysts. We investigated the conformation of the peptide H-dPro-Pro-Glu-NH2, a highly reactive and… read more here.
Keywords: peptidic catalyst; properties peptidic; conformational properties; catalyst insights ... See more keywords
The Importance of the Pauli Exchange-Type Repulsions and Hyperconjugative Interactions on the Conformational Properties of Halocarbonyl Isocyanates and Halocarbonyl Azides
Sign Up to like & getrecommendations! Published in 2017 at "Australian Journal of Chemistry"
DOI: 10.1071/ch16227
Abstract: To gain further insight into the origin of the anomeric relationships in planar open-chain (acyclic) compounds, we examined the effects of the hyperconjugative generalized anomeric effect (HC-GAE), Pauli exchange-type repulsion (PETR), the electrostatic model associated… read more here.
Keywords: properties halocarbonyl; exchange type; hyperconjugative interactions; conformational properties ... See more keywords
Effect of side chain on conformational properties of comb-like polycarboxylate in salt solutions
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Dispersion Science and Technology"
DOI: 10.1080/01932691.2019.1704773
Abstract: Abstract To investigate the effect of side-chain structure of comb-like polycarboxylates (PCE) on conformational properties in salt solutions, PCE with polyethyleneoxide (PEO) of different lengths were synthesized using methallyl polyethylene glycol (MPEG, Mw = 1200, 2400,… read more here.
Keywords: comb like; effect side; side chain; conformational properties ... See more keywords
Conformational properties of hybrid star-shaped polymers comprised of linear and ring arms.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.105.034502
Abstract: We study the influence of arm architecture on the conformational properties of hybrid star-shaped macromolecules called rosette polymers containing linear and ring grafts connected to a central branching point in a good solvent regime. We… read more here.
Keywords: star shaped; linear ring; hybrid star; properties hybrid ... See more keywords