Results 141 to 150 of about 1,164,097 (304)

Adsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study

, 2007
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations.
B. Partoens, B. S. González, F. M. Peeters, H. J. Monkhorst, O. Leenaerts   +4 more
core   +1 more source

Exploring quinolinone–chalcones: Synthesis, antioxidant potential and industrial applications in biofuels

Biofuels, Bioproducts and Biorefining, EarlyView.
Abstract Biofuels undergo oxidative degradation, which reduces their storage stability and efficiency, hindering their large‐scale adoption and integration into the global energy matrix. To address this issue, we synthesized and characterized four novel quinolinone–chalcone derivatives (substituted with Br, Cl, OCH3 and OCH2CH3) as potential ...
Vitor S. Duarte, Renata Layse G. de Paula, Leonardo R. Almeida, Giulio D. C. D’Oliveira, Caridad N. Pérez, Jean M. F. Custódio, Valter H. Carvalho‐Silva, Andrea Lombardi, Hamilton B. Napolitano   +8 more
wiley   +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

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

Advances in the Hydroperoxidation of Propylene to Propylene Oxide (HOPO): from Nanoscale to Mesoscale and Macroscale

Chemistry – A European Journal, EarlyView.
This review highlights advancements in HOPO across nanoscale, mesoscale, and macroscale. It explores key aspects such as nanoparticle design, support materials, catalyst preparation methodologies, and reactor engineering. Additionally, the review highlights the impact of bimetallic nanoparticles, reaction mechanisms, and process optimizations that have
Nidhi Kapil, Marc‐Olivier Coppens
wiley   +1 more source

Optimization Of Detergent-Mediated Reconstitution Of Influenza A M2 Protein Into Proteoliposomes [PDF]

, 2018
We report the optimization of detergent-mediated reconstitution of an integral membrane-bound protein, full-length influenza M2 protein, by direct insertion into detergent-saturated liposomes.
Arbuckle, Douglas Stuart, , \u2717, Bost, Margaret H., , \u2717, Crouch, Catherine Hirshfeld, Green, Bryan M., , \u2716, Grossman, Carl H., Howard, Kathleen P., Kim, Tae H., , \u2714   +6 more
core   +2 more sources

Synthesis, structure and Hirshfeld surface analysis of pyridinium derivative crystals

Molecular Crystals and Liquid Crystals
Slow evaporation methods were employed to grow single crystals of 3-acetylpyridinium picrate (I), 4-acetylpyridinium picrate (II), and pyridin-4-ylmethanaminium 2,2-diphenylacetate hydrate (III). Crystal (I) and (III) crystallize triclinic crystal system with a centric (Pī) space group and (II) crystallize in a monoclinic system with a centric (P21/c ...
V. Balasubramanian, L. Guganathan, S. Ignatius Arockiam, C. Balakrishnan   +3 more
openaire   +1 more source

What Makes a Branched Aromatic Compound a Crystallization Chaperone? Insights from a Comparison of Three Organic Scaffolds

Chemistry – A European Journal, EarlyView.
The ability to accommodate guest molecules of many different shapes in crystal lattices has been tested for teraaryl derivatives of porphyrin, spirobifluorene, and adamantane. The latter appears to offer the most favorable properties, which may be at least partially due to low activation barriers for the interconversion of rotamers.
Jan Hartenfels, Tim Berking, Ruben Pereira Rebelo, Katerina Tsimopoulou, Stefanie Schiele, Leon Stark, Wolfgang Frey, Clemens Richert   +7 more
wiley   +1 more source

Investigating the Mechanism of Antimycobacterial and Antiproliferative Activity of (E)‐N’‐Benzylidenepyrazine‐2‐Carbohydrazides and their Derivatives

ChemMedChem, EarlyView.
(E)‐N’‐benzylidenepyrazine‐2‐carbohydrazides with 2‐OH, 2,3‐diOH or 2,4‐diOH substitution exhibit good antimycobacterial or antiproliferative activity, and iron chelation similar to salicylaldehyde isonicotinoyl hydrazone (SIH). A series of 33 (E)‐N’‐benzylidenepyrazine‐2‐carbohydrazides and their derivatives were synthesized and tested for biological ...
Priam‐Amedeo Houngbedji, Daria Elżbieta Nawrot, Ondřej Janďourek, Klára Konečná, Martin Novák, Pavla Paterová, Pavel Bárta, Martina Hrast Rambaher, Eva Novotná, Carlo Castellano, Matteo Mori, Fiorella Meneghetti, Monika Záhorszká, Jana Korduláková, Jan Zitko   +14 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2017
In the title compound, C15H10BrN3O2S, the dihedral angles between the 1,3,4-oxadiazole ring and the 3-pyridinyl and bromobenzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the molecules are linked into [100] chains by way of C—H..
Huma Bano, Shafqat Hussain, Khalid M. Khan, Shahnaz Perveen, Sammer Yousuf   +4 more
doaj   +1 more source