Results 21 to 30 of about 3,172,708 (264)
Characterizing and contrasting structural proton transport mechanisms in azole hydrogen bond networks using ab initio molecular dynamics [PDF]
J. Phys. Chem. Lett. 2021, 12, 36, 8749-8756, 2021 Imidazole and 1,2,3-triazole are promising hydrogen-bonded heterocycles that conduct protons via a structural mechanism and whose derivatives are present in systems ranging from biological proton channels to proton exchange membrane fuel cells. Here, we leverage multiple time-stepping to perform ab initio molecular dynamics of imidazole and 1,2,3 ...
arxiv +1 more source
Bacterial virulence factors: a target for heterocyclic compounds to combat bacterial resistance
RSC Advances, 2021 Antibiotic resistance is one of the most important challenges of the 21st century. However, the growing understanding of bacterial pathogenesis and cell-to-cell communication has revealed many potential strategies for the discovery of drugs that can be ...
Rehab H. Abd El-Aleam +3 more
semanticscholar +1 more source
Scientific Reports, 2021 A new multifunctional dendritic nanocatalyst containing boric acid and 1,3,5-tris(2-hydroxyethyl)isocyanurate covalently attached to core–shell silica-coated magnetite (Fe3O4@SiO2@PTS-THEIC-(CH2)3OB(OH)2) was designed and properly characterized by ...
Mahsa Sam +2 more
doaj +1 more source
Synthesis of Carboxymethyl Chitosan and Its Derivatives Using KI and/or Ultrasonication
Chemistry Proceedings, 2022 Chitosan is a natural polysaccharide that is mainly obtained from the shell of marine crustaceans including crabs, lobsters, shrimps, etc. Chitosan has been widely used in biomedicine due to its special characteristics of low toxicity, biocompatibility ...
Mahsa Rajabi +2 more
doaj +1 more source
Scientific Reports, 2021 MOFs compounds with open metal sites, particularly Cu-BTC, have great potential for adsorption and catalysis applications. However, the powdery morphology limits their applications. One of the almost new ways to overcome this problem is to trap them in a
Nuhaa Shaheed +4 more
doaj +1 more source
SynOpen, 2019 This Short Review provides an analysis of the state-of-the-art in catalytic enantioselective oxa-Pictet–Spengler cyclizations. Also discussed are other catalytic reactions providing access to enantioenriched isochromans and tetrahydropyrano[3,4-b ...
Zhengbo Zhu +3 more
doaj +1 more source
Scientific Reports, 2020 In this study, preparation and characterization of a new magnetic propylsulfonic acid-anchored isocyanurate bridging periodic mesoporous organosilica (Iron oxide@PMO-ICS-PrSO3H) is described. The iron oxide@PMO-ICS-PrSO3H nanomaterials were characterized
Arezoo Akbari +3 more
doaj +1 more source
Performance Analysis of Novel Propellant Oxidizers using Molecular Modelling and Nozzle Flow Simulations [PDF]
, 2022 The primary target of this paper is to present novel compounds in view of their possible use as oxidizers in propulsion applications using molecular modeling calculations and supersonic flow simulations. Carbon-based heterocyclic compounds tend to have strained molecular structures leading to high heats of formation and energetic behavior.
arxiv +1 more source
Synthesis of New 1,3,5-Triazine-Based 2-Pyrazolines as Potential Anticancer Agents
Molecules, 2018 A new series of 1,3,5-triazine-containing 2-pyrazoline derivatives (8–11)a–g was synthesized by cyclocondensation reactions of [(4,6-bis((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amine]chalcones 7a–g with hydrazine hydrate and ...
Leydi M. Moreno +4 more
doaj +1 more source
Scientific Reports, 2023 This article describes supramolecular Fe3O4/SiO2 decorated trimesic acid-melamine (Fe3O4/SiO2-TMA-Me) nanocomposite that can be prepared with features that combine properties of different materials to fabricate a structurally unique hybrid material.
Babak Fattahi, Mohammad G. Dekamin
doaj +1 more source