Results 191 to 200 of about 114,417 (310)

Structure and Interactions in 1:2 K⁺-Crown Ether Complexes via Gas-Phase Cold UV and IR Spectroscopy. [PDF]

J Phys Chem Lett
Inokuchi Y, Rizzo TR.
europepmc   +1 more source

Dihedral Angle Adherence: Evaluating Protein Structure Predictions in the Absence of Experimental Data [PDF]

Musa Azeem, Homayoun Valafar
openalex   +1 more source

Acoustic properties of partially molten media studied on a simple binary system with a controllable dihedral angle [PDF]

, 2000
Yasuko Takei
openalex   +1 more source

A lipid droplet‐selective fluorescent probe for real‐time imaging and polarity sensing

Bulletin of the Korean Chemical Society, EarlyView.
In this study, we present a fluorescent probe 1 with lipid droplets‐targeting and solvent‐dependent emission properties. Its photophysical behavior and selectivity were analyzed using density functional theory (DFT), time‐dependent DFT, and confocal laser scanning microscopy.
Yerim Lee, Bokyeong Hwang, Bingqing Sun, Hai Xu, Lei Liu, Juyoung Yoon   +5 more
wiley   +1 more source

FakeRotLib: Expedient Noncanonical Amino Acid Parametrization in Rosetta. [PDF]

J Chem Inf Model
Bell EW, Brown BP, Meiler J.
europepmc   +1 more source

Regulation of Dihedral Angle on Molecular Engineering for Enhancing Triboelectric Performance [PDF]

Siqian Zhou, Xinglin Tao, Zhaoqi Liu, Han Wu, Zhengxin Guan, Liqiang Liu, Jun Li, Xiangyu Chen, Wei Ou‐Yang   +8 more
openalex   +1 more source

An interesting dihedral angle expansion in a series of monophosphoramides of (R)-(+)-1,1′-binaphthyl-2-2′-diamine [PDF]

, 2001
Min Shi, Wen‐Sheng Sui, A.S.C. Chan
openalex   +1 more source

Probing the Inhibitory Potential of Halogenated Symmetrical Formamidine Against MAO‐A and MAO‐B: Structural Elucidation, Molecular Dynamic Simulation and DFT Computational Studies

Chemistry &Biodiversity, EarlyView.
ABSTRACT A halogenated symmetrical formamidine, N,N′‐bis(3‐chloro‐4‐fluorophenyl)formamidine (FCF) was synthesized by the condensation reaction between triethyl orthoformate and 3‐chloro‐4‐fluoroaniline in 1:2 ratio. The compound FCF was characterized by FT‐IR, mass, NMR (1H and 13C) spectroscopic techniques and the purity was confirmed by elemental ...
Segun D. Oladipo, Robert C. Luckay, Samuel O. Olalekan, Abosede A. Badeji, Tunde L. Yusuf, Adesola A. Adeleke, Nonkosi Matinise   +6 more
wiley   +1 more source

Synthesis, Characterization, Biological Evaluation, DFT Calculations, and Molecular Docking Study of Transition Metal Complexes Derived From a Schiff Base Ligand

Chemistry &Biodiversity, EarlyView.
ABSTRACT The escalating global challenge of antibiotic resistance amid rising oxidative stress emphasizes the critical necessity for innovative antimicrobial strategies. This study, reported synthesis of Schiff base ligand, (Z)‐2‐[(4‐nitrobenzylidene)amino]phenol (HL), derived from condensation between 2‐aminophenol and 4‐nitrobenzaldehyde, and it Co ...
Ibrahim Waziri, Olaide O. Wahab, Grema A. Mala, Musa B. Ismaila, Usman Umaru, Mostafa S. Abd El‐Maksoud, Ibrahim M. Wakil, Tunde L. Yusuf   +7 more
wiley   +1 more source

A versatile route towards 6-arylpipecolic acids. [PDF]

Beilstein J Org Chem
Gebel E, Göcke C, Gruner C, Sewald N.
europepmc   +1 more source