Results 101 to 110 of about 29,837 (275)

A Computational Study of a [2]Rotaxane Molecular Shuttle with All‐Atoms Molecular Dynamics and Density Functional Theory Simulations in Solution

open access: yesChemPhysChem, EarlyView.
A H‐shaped [2]rotaxane is investigated in CH2Cl2 with all‐atoms molecular dynamics simulations combining quantum theory of atoms in molecules (QTAIM) descriptors with density functional theory (DFT) algorithms. Also, the nature of the chemical interactions modulating the formation of a square planar complex following the coordination of a PtCl2 moiety ...
Costantino Zazza   +3 more
wiley   +1 more source

N-Phenyl-substituted poly(benzimidazole imide)s with high glass transition temperature and low coefficient of thermal expansion

open access: gold, 2022
Dandan Li   +7 more
openalex   +2 more sources

Rational Modulation of Excited‐State Intramolecular Proton Transfer, Aggregation‐Induced Emission, and Intramolecular Motion on Polysubstituted Imidazoles

open access: yesChemPhotoChem, EarlyView.
Precise modulation of the excited‐state intramolecular proton transfer (ESIPT) process was achieved using a newly synthesized family of N‐substituted imidazoles. Combined experimental and theoretical approaches reveal how N‐alkyl and 2‐(methoxy)phenyl modulate enol‐keto equilibrium, molecular conformation, and emission behavior.
Ángel D. Álvarez‐Castillo   +7 more
wiley   +1 more source

Benzimidazole Resistance: An Overview [PDF]

open access: diamond, 2018
D.B. Bhinsara   +6 more
openalex   +1 more source

Highly efficient deep‐blue organic light‐emitting diodes with high color‐purity enabled by triptycene‐enhanced rigid Pt(II) complexes

open access: yesFlexMat, EarlyView.
Novel enhanced‐rigid tetradentate Pt(II) emitters were developed via the first strategic merging of a pyramidal triptycene unit into the 2,3‐positions of the carbazole moiety. PtJY2‐based bottom‐emitting PhOLED represents one of the best‐balanced performances, including excellent EQEs, low roll‐off, and high color purity, among the reported non ...
Jiaoying Lin   +4 more
wiley   +1 more source

PCR-RFLP screening of polymorphisms associated with benzimidazole resistance in Necator americanus and Ascaris lumbricoides from different geographical regions in Brazil

open access: gold, 2018
Luciana W. Zuccherato   +4 more
openalex   +2 more sources

Design, Synthesis, and Development of Pyrazolo[1,5-a]pyrimidine Derivatives as a Novel Series of Selective PI3Kδ Inhibitors: Part II—Benzimidazole Derivatives [PDF]

open access: gold, 2022
Mariola Stypik   +22 more
openalex   +1 more source

Multimode Immunochromatography Assay Based on Portable Instruments for Sensitive and Rapid Detection of Carbendazim in Real Samples

open access: yesFood Safety and Health, EarlyView.
The widespread use of carbendazim in agriculture has led to its residues in food, necessitating a rapid, sensitive, and field‐deployable detection platform. This study developed a multimode immunochromatography assay based on portable instruments for sensitive and rapid detection of carbendazim.
Junqi Shen   +12 more
wiley   +1 more source

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