Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?
Several fully π-conjugated macrocycles with puckered or cage-type structures were recently
found to exhibit aromatic character according to both experiments and computations. We …
found to exhibit aromatic character according to both experiments and computations. We …
“From shadows to shores”-quantitative analysis of CuO nanoparticle-induced apoptosis and DNA damage in fish erythrocytes: A multimodal approach combining …
The usage of copper (II) oxide nanoparticles (CuO NPs) has significantly expanded across
industries and biomedical fields. However, the potential toxic effects on non-target …
industries and biomedical fields. However, the potential toxic effects on non-target …
In silico design of 2D and 3D covalent organic frameworks for methane storage applications
Here, we present a database of 69 840 largely novel covalent organic frameworks
assembled in silico from 666 distinct organic linkers and four established synthetic routes …
assembled in silico from 666 distinct organic linkers and four established synthetic routes …
Genotoxic and cytotoxic effects of pethoxamid herbicide on Allium cepa cells and its molecular docking studies to unravel genotoxicity mechanism
Pethoxamid is chloroacetamide herbicide. Pethoxamid is commonly used to kill different
weeds in various crops. Pethoxamid can leach in the water and soil and can cause toxic …
weeds in various crops. Pethoxamid can leach in the water and soil and can cause toxic …
Investigating the electronic properties of edge glycine/biopolymer/graphene quantum dots
This study systematically investigated four types of graphene quantum dots (GQDs) AHEX,
ZTRI, ZHEX, and ATRI, and their interactions with glycine to form GQD-glycine complexes …
ZTRI, ZHEX, and ATRI, and their interactions with glycine to form GQD-glycine complexes …
Catalytic production of δ-valerolactone (DVL) from biobased 2-hydroxytetrahydropyran (HTHP)–Combined experimental and modeling study
Abstract δ-Valerolactone (DVL) is a five-carbon (C5) cyclic ester that can undergo ring-
opening polymerization to yield high-performance, biocompatible polyesters. But current …
opening polymerization to yield high-performance, biocompatible polyesters. But current …
Carbon dots derived from human hair for ppb level chloroform sensing in water
Chlorination is a widely adopted disinfection method in water and wastewater treatment for
the protection of public health, as it greatly reduces pathogen risks and associated incidence …
the protection of public health, as it greatly reduces pathogen risks and associated incidence …
Bioinformatics and computational studies of chabamide F and chabamide G for breast cancer and their probable mechanisms of action
Globally, the prevalence of breast cancer (BC) is increasing at an alarming level, despite
early detection and technological improvements. Alkaloids are diverse chemical groups, and …
early detection and technological improvements. Alkaloids are diverse chemical groups, and …
Carbon dioxide-in-oil emulsions stabilized with silicone-alkyl surfactants for waterless hydraulic fracturing
S Alzobaidi, J Lee, S Jiries, C Da, J Harris… - Journal of colloid and …, 2018 - Elsevier
The design of surfactants for CO 2/oil emulsions has been elusive given the low CO 2-oil
interfacial tension, and consequently, low driving force for surfactant adsorption. Our …
interfacial tension, and consequently, low driving force for surfactant adsorption. Our …
CHARMM force-field parameters for morphine, heroin, and oliceridine, and conformational dynamics of opioid drugs
Opioid drug binding to specialized G protein-coupled receptors (GPCRs) can lead to
analgesia upon activation via downstream Gi protein signaling and to severe side effects via …
analgesia upon activation via downstream Gi protein signaling and to severe side effects via …