Results 31 to 40 of about 74,468,422 (128)

Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis

open access: yesChemistryOpen, Volume 14, Issue 12, December 2025.
A regioselective synthesis of fused thiazoles was achieved via aza‐Michael cyclization of thiazolidinone derivatives with hydrazines or heteroaryl amines. Density functional theory, local reactivity indices, and molecular electrostatic potential mapping are used to explain selectivity.
Ghaferah H. Al‐Hazmi   +8 more
wiley   +1 more source

The Concise Guide to PHARMACOLOGY 2025/26: Enzymes

open access: yesBritish Journal of Pharmacology, Volume 182, Issue S1, Page S307-S403, December 2025.
The Concise Guide to Pharmacology 2025/26 marks the seventh edition in this series of biennial publications in the British Journal of Pharmacology. Presented in landscape format, the guide provides a comparative overview of the pharmacology of drug target families. The concise nature of the Concise Guide refers to the style of presentation, being clear,
Stephen P. H. Alexander   +31 more
wiley   +1 more source

Relative Strengths of NH··O and CH··O Hydrogen Bonds between Polypeptide Chain Segments

open access: yes, 2005
Correlated ab initio calculations are used to compare the energetics when the CH and NH groups of the model dipeptide CHONHCH2CONH2 are each allowed to form a H-bond with the proton acceptor O of a peptide group.
Scheiner, Steve
core   +1 more source

Movement Mechanisms Harness Lévy Flight for Energy‐Efficient Wastewater Treatment in Microalgae–Bacteria Systems

open access: yesAdvanced Science, Volume 12, Issue 44, November 27, 2025.
Here, our novel model that integrates metabolism with motility dynamics reveals that microalgae shift bacterial movement toward Lévy flight patterns, enhancing encounter rates and self‐aggregation. This microecological manipulation reduces energy costs, strengthens functions such as pollutant removal and system stability.
Luyu Zhang   +7 more
wiley   +1 more source

Adiabatic and Diabatic Energy Data for the Ground and First Excited Singlet States of CH₃NH₂

open access: yes, 2018
This data set includes adiabatic energies from XMS-CASPT2/6-31++G(d,p) calculations and diabatic energies and couplings calculated using the dipole-quadrupole diabatization method for the ground and first excited singlet states of methylamine (CH₃NH₂) at
Parker, Kelsey A, Truhlar, Donald G
core   +1 more source

Abstracts

open access: yesMolecular Oncology, Volume 20, Issue S1, Page 1-692, August 2026.
Abstracts submitted to the ‘EACR 2026 Congress: Innovative Cancer Science’, from 08–11 June 2026 and accepted by the Congress Organising Committee are published in this Supplement of Molecular Oncology, an affiliated journal of the European Association for Cancer Research (EACR).
wiley   +1 more source

Liver molecular networks associated with drinking behavior in nonhuman primates

open access: yesAlcohol, Clinical and Experimental Research, Volume 49, Issue 11, Page 2470-2484, November 2025.
We identified hepatic molecular networks that differed between light drinkers (LD) and very heavy drinkers (VHD) before they were exposed to alcohol, as well as epigenetic differences between LD and VHD in response to the same amount of alcohol.
Laura A. Cox   +11 more
wiley   +1 more source

The formation of the stable radicals (.)CH(2)CN, CH(3)(.)CHCN and (.)CH(2)CH(2)CN from the anions (-)CH(2)CN, CH(3)(-)CHCN and (-)CH(2)CH(2)CN in the gas phase. A joint experimental and theoretical study

open access: yes, 2006
Copyright © Royal Society of Chemistry 2006 Reproduced by permission of The Royal Society of ChemistryFranck–Condon one-electron oxidation of the stable anions ⁻CH₂CN, CH₃⁻CHCN and ⁻CH₂CH₂CN (in the collision cell of a reverse-sector mass spectrometer ...
Bowie, J., Andreazza, H., Fitzgerald, M.
core   +1 more source

Laser-induced fluorescence determination of temperatures in low pressure flames [PDF]

open access: yes, 1989
Rensberger KJ, Jeffries JB, Copeland RA, Kohse-Höinghaus K, Wise ML, Crosley DR. Laser-induced fluorescence determination of temperatures in low pressure flames. Applied Optics.
Jeffries, Jay B.   +5 more
core  

Chiral molecule formation in interstellar ice analogs: alpha-aminoethanol NH 2 CH(CH 3 )OH

open access: yes, 2010
International audienceAims. Aminoalcohol molecules such as alpha-aminoethanol NH 2 CH(CH 3)OH may be aminoacid precursors. We attempt to charac-terize and detect this kind of molecules which is important to establish a possible link between interstellar ...
Duvernay, F   +17 more
core   +1 more source

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