Results 121 to 130 of about 1,195,244 (259)

DPPH‐based Antioxidant Screening and Cellulase‐assisted Hydrodistillation of Matourea azurea: Improved Essential Oil Yield and Density Functional Theory Insights Into a Rare Terpene

Chemistry &Biodiversity, EarlyView.
ABSTRACT Essential oils are rich in bioactive molecules like terpenes and phenolic compounds, but have low yields, making process efficiency crucial. Enzyme‐assisted hydrodistillation is a sustainable alternative, enhancing oil release by degrading the cell wall.
Júlio César Gonçalves de Souza, Leiliane do Socorro Sodré de Souza, Ari de Freitas Hidalgo, Guilherme Teixeira de Azevedo, Giovana Lima de Souza, Caroline Dutra Lacerda, Sergio Duvoisin Junior, Anderson Mathias Pereira   +7 more
wiley   +1 more source

Crystal Structure, Spectral Studies, and Hirshfeld Surfaces Analysis of 5-Methyl-5H-dibenzo[b,f]azepine and 5-(4-Methylbenzyl)-5H-dibenzo[b,f]azepine [PDF]

, 2014
S. Madan Kumar, Basavapattana C. Manjunath, Koravangala S. Vinay Kumar, K.J. Pampa, Maralinganadoddi P. Sadashiva, Neartur Krishnappagowda Lokanath   +5 more
openalex   +1 more source

Mono‐Amination of Methyl‐α‐d‐glucoside via Borrowing Hydrogen with Recyclable Ru/C

ChemCatChem, EarlyView.
Mono‐amination of methyl‐α‐d‐glucoside in the presence of a recyclable Ru based catalyst: effect of the nature of the atmosphere. Abstract This study presents a highly efficient and sustainable method for the mono‐amination of unprotected sugar derivatives using a commercially available Ru/C heterogeneous catalyst under borrowing hydrogen (BH ...
Hana Bensalem, Pierre Roy, Sophie Hameury, Thierry Tassaing, Frédéric Guégan, François Jérôme, Karine De Oliveira Vigier   +6 more
wiley   +1 more source

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

ChemPhysChem, 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, Nico Sanna, Stefano Borocci, Felice Grandinetti   +3 more
wiley   +1 more source

Nickel(Ii) Complex Containing Bidentate Ns S-Benzyl Dithiocarbazate Schiff Base: Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, Homo-Lumo and Molecular Docking Studies

, 2022
Uwaisulqarni M. Osman, Muhamad Fairus Noor Hassim, Nik Nur Syafiqah Zaini Safayi, Mohamed Ibrahim Mohamed Tahir, Karen A. Crouse, Suhana Arshad, Fazira Ilyana Abdul Razak, Suhaila Sapari, Siti Nabilla Aliya Mohd Nizar   +8 more
openalex   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone [PDF]

, 2021
Nazariy T. Pokhodylo, Yurii SLYVKA, Evgeny Goreshnik, Roman Lytvyn, Nazariy T. Pokhodylo, Yurii SLYVKA, Evgeny Goreshnik, Roman Lytvyn   +7 more
openalex   +1 more source

Mercury(II)‐Triggered Oxidase‐Like Activity of CoSe2@Au NPs for Dual‐Mode Detection in Food

Food Frontiers, EarlyView.
ABSTRACT Owing to the strong and selective coordination with Hg2+, the high‐stable gold‐anchored cobalt selenide nanomaterials (CoSe2@Au NPs) were prepared via multi‐step wet chemical synthesis method for the dual‐mode sensing of Hg2+ in food samples. The interplay between the 3d orbital of Co and the 6s orbital of Hg can enhance the binding ability of
Jingkang Wang, Zongda Li, Youning Zhang, Mingping Shen, Xuefeng Yin, Yanfei Yan, Minwei Zhang   +6 more
wiley   +1 more source

Single‐Crystal‐to‐Single‐Crystal Transformation in a Copper(II) Complex: Structural and Spectroscopic Insights into Methanol Elimination and Hydrogen Bond Network Formation

ChemistryOpen, EarlyView.
A methanol‐ligated copper(II) complex undergoes a single‐crystal‐to‐single‐crystal transformation upon solvent loss, retaining crystallinity while reorganizing its coordination geometry and hydrogen‐bonding network. This study investigates the single‐crystal‐to‐single‐crystal (SCSC) transformations of a copper(II) complex, [Cu(L1)2(acac)2]·2CH3OH (1 ...
Babak Mirtamizdoust, Amirhossein Karamad, Faeze Mojtabazade, Hassan Hosseini‐Monfared, Rahman Bikas   +4 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of dichlorido{2,2′-[oxybis(methylidene)]dipyridine}mercury(II) [PDF]

, 2022
Jesse J. Derringer, Deborah C. Bebout
openalex   +1 more source

Spectroscopic, X‐Ray Crystallographic, and Hirshfeld Surface Analyses for the Investigation of Intermolecular Interactions in Carboxamide Hydrazone Hybrids

ChemistryOpen, EarlyView.
Two novel carboxamide hydrazone hybrids are synthesized and characterized. Structural, spectroscopic, and computational analyses reveal dominant hydrogen bonding, π–π stacking, and reactive sites. Compound 2b exhibits potent antibacterial activity against Staphylococcus aureus, highlighting its potential as a cost‐effective therapeutic agent.
Nabila A. Kheder, Mostafa E. Salem, Saied M. Soliman, Ismail A. Elhaty, Naglaa S. Mahmoud, Mohamed Abdel‐Megid, Kamal M. Dawood   +6 more
wiley   +1 more source