Buchumschlag

Theoretical Study of Electrostatic Embedding and Properties of a Novel Quinolinone‐Chalcone Crystal and a Comparative Analysis with Dihydroquinolinone Analogs

Fuente: Wiley Open Access

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Clodoaldo Valverde, Nathália M. Pires, Antônio N. Borges, Daphne C. Fernandes, Vitor S. Duarte, Giulio D. C. D’Oliveira, Jean M. F. Custodio, Caridad N. Pérez, Francisco A. P. Osório, Hamilton B. Napolitano
Format:	Artículo Open Access
Veröffentlicht:	Wiley 2026
Schlagworte:	ChemistryOpen
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Insights Into Bifenthrin Stereoisomers and Their Regulatory Implications
von: Nayara C. M. Santos, et al.
Veröffentlicht: (2026)

Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis
von: Ghaferah H. Al‐Hazmi, et al.
Veröffentlicht: (2025)

Modifying Antibiotic Activity of Synthetic Thiadiazine Analogs Against MDR Bacteria and ADMET Analysis
von: João Arthur de Oliveira Borges, et al.
Veröffentlicht: (2025)

Enhanced HPLC Method for Boar Taint Quantification
von: R. Pereira‐Pinto, et al.
Veröffentlicht: (2024)

Reactivity of Imidazole‐ and Pyridine‐Carboxaldehydes for Gem ‐Diol and Hemiacetal Generation: Theoretical and Experimental Insights
von: Ayelén F. Crespi, et al.
Veröffentlicht: (2025)

Computational Evaluation of Statin Analogs Targeting HMG‐CoA Reductase for Coronary Artery Disease Treatment
von: Yoshua B. Mtulo, et al.
Veröffentlicht: (2025)

Thermodynamic Insights Into Direct Methane to Methanol Conversion Using O 2 and CO 2 Oxidants
von: Victor I. O. Sumikawa, et al.
Veröffentlicht: (2026)

Site‐Specific Surface Modification via Chemoselective Click Reactions on Cyclobutene‐Functionalized Monolayers
von: Boone W. Evans, et al.
Veröffentlicht: (2026)

Hyperthermic Core‐Shell Silver‐Gold Nanoparticles: Green Synthesis and Adsorption‐Uptake by Macrophages, Fibroblasts and Cancer Cells
von: E. Valdivieso, et al.
Veröffentlicht: (2025)

Ruthenium‐Catalyzed CH Alkenylation of Trypanocidal Naphthoquinones: A Mechanistic Benchmarking Study
von: Esther R. S. Paz, et al.
Veröffentlicht: (2025)

Perspective on Theoretical Modeling of Soft Molecular Machines and Devices: A Fusion of Data‐Driven Approaches with Traditional Computational Chemistry Algorithms
von: Costantino Zazza, et al.
Veröffentlicht: (2025)

Streamlined One‐Pot Synthesis of Fused Pyrroles: A Three‐Component Approach
von: Kateryna I. Marchenko, et al.
Veröffentlicht: (2026)

Construction of a Fluorescence‐Based Logic Gate Seeing the Effect of Perchlorate Ions on Hemicyanine Dye– β ‐Cyclodextrin Complexes to Certify Safe Drinking Water
von: Anusha C. M., et al.
Veröffentlicht: (2025)

Atomic Adsorption Energies Prediction on Bimetallic Transition Metal Surfaces Using an Interpretable Machine Learning‐Accelerated Density Functional Theory Approach
von: Jan Goran T. Tomacruz, et al.
Veröffentlicht: (2025)

Sterically Controlled Interfacial Charge‐Transfer Mechanisms in Unsymmetrical Squaraine Dyes for Suppressed Aggregation and Enhanced Performance in High‐Efficiency Dye‐Sensitized Solar Cells
von: Abdullah N. Alotaibi, et al.
Veröffentlicht: (2026)

Synthesis, X‐Ray Analysis, Anticancer Activity, Computational, and in Silico Studies of New Thiophene Pyrazole Conjugates
von: Abdullatif Bin Muhsinah, et al.
Veröffentlicht: (2026)

Utilization of Pulsed Current‐Electro Fenton Technology for the Treatment of Wastewater from Industrial Processes
von: Perumal Asaithambi, et al.
Veröffentlicht: (2025)

Enzyme‐Substrate Complex Formation and Electron Transfer in Nitrogenase‐Like Dark‐Operative Protochlorophyllide Oxidoreductase (DPOR)
von: Giada Bedendi, et al.
Veröffentlicht: (2025)

RuKY Catalyst‐Packed Permeation Membrane for Quantitative Ammonia and d3‐Ammonia Dehydrogenation to Ultrapure Hydrogen
von: Christopher J. Koch, et al.
Veröffentlicht: (2026)

Evaluating the Hydrogen Evolution Reaction Activity of Colloidally Prepared PtSe2 and PtTe2 Catalysts in an Alkaline Medium
von: Lineo F. Mxakaza, et al.
Veröffentlicht: (2024)

Effective Removal of Fe and Ca From Coal Fly Ash for High‐Purity and High‐Surface‐Area Zeolite X Synthesis: A Comparative Study of Acid Refluxing and Acid Roasting Methods
von: Emmanuel Monkgomotsi Victor Gaolefufa, et al.
Veröffentlicht: (2026)

Using MD Simulations to Understand the Impact of Directed Evolution on Oxygen Affinity in Amine Oxidases
von: Christopher R. Field, et al.
Veröffentlicht: (2026)

Brominated Methanesulfonates: Characterization of K[Br 3 CSO 3 ] ⋅ H 2 O, K 2 [Br 2 C(SO 3 ) 2 ] ⋅ H 2 O and K 3 [BrC(SO 3 ) 3 ] ⋅ H 2 O
von: Katrin Eppers, et al.
Veröffentlicht: (2025)

A Convenient Laboratory‐Scale Synthesis Route Toward the PPARα Agonist Pemafibrate
von: Felien Morlion, et al.
Veröffentlicht: (2026)

Bidentate [C,N] and Tridentate [C,N,S] Palladium Cyclometallated Complexes as Pre‐Catalysts in Cross‐Coupling Reactions
von: Basma al Janabi, et al.
Veröffentlicht: (2024)

Hybrid Modification Strategies of Metal–Organic Frameworks: A Review on Structural Design and Environmental Applications
von: Samar H. Elagamy, et al.
Veröffentlicht: (2026)

Node Modification of Metal‐Organic Frameworks for Catalytic Applications
von: Mario Martos, et al.
Veröffentlicht: (2025)

Eco‐friendly Regioselective Synthesis, Biological Evaluation of Some New 5‐acylfunctionalized 2‐(1H‐pyrazol‐1‐yl)thiazoles as Potential Antimicrobial and Anthelmintic Agents
von: Ranjana Aggarwal, et al.
Veröffentlicht: (2024)

Salen‐Type Copper(II) Complexes: Synthesis, Characterization, Computational Studies, Molecular Docking, Anticancer Potential, and Pharmacokinetic Prediction
von: Abdellatif A. Helaly, et al.
Veröffentlicht: (2025)

Macrocycle Unidirectional Transport Along a Linear Molecule by a Two‐Step Chemical Reaction Sequence
von: Aldo C. Catalán, et al.
Veröffentlicht: (2024)

Oxidation of Cyclohexane to Cyclohexanol/Cyclohexanone Using Sol‐Gel‐Encapsulated Unspecific Peroxygenase from Agrocybe aegerita
von: Yinqi Wu, et al.
Veröffentlicht: (2024)

Large Solvent‐Dependent Rate Enhancement of Autocatalytic Hydrolysis of Alkyl and Aryl Thiosulfates
von: Fatema B. Amin, et al.
Veröffentlicht: (2026)

One‐Pot Four‐Component Synthesis of Novel Amino‐Tetrahydro‐Chromene Derivatives Anchored with Dual Triazole Moieties
von: Saeede Azhari, et al.
Veröffentlicht: (2025)

Influence of Ligands on the Surface Characteristics of CoMo/γ‐Al 2 O 3 and Hydrodesulfurization Catalytic Activity on Dibenzothiophene‐Type Compounds
von: Siphumelele Majodina, et al.
Veröffentlicht: (2025)

Disarming the Hsp70–Bim Alliance: Small‐Molecule and Peptidic Disruptors of a Chaperone‐Apoptotic Switch in Cancer
von: Emadeldin M. Kamel, et al.
Veröffentlicht: (2025)

Structural Variety in Transition Metal Complexes of Tripodal Ligands Containing Mixed Quinolyl and Pyridyl Donors
von: Bronte Carr, et al.
Veröffentlicht: (2024)

Nephroprotective Effects of Fraxinus Hookeri Wenz. Against Renal Toxicity and DNA Oxidative Damages Induced by CCl 4 in Rats
von: Raheela Sarwar, et al.
Veröffentlicht: (2025)

Polylactic‐ Glycolic Acid Microparticles–Encapsulated Prostaglandin E1 as A Novel Strategy In Triple Negative Breast Cancer
von: Concetta Di Natale, et al.
Veröffentlicht: (2025)

An Iridium Complex as Bidentate Halogen Bond‐Based Anion Receptor Featuring an IncreasedOptical Response
von: Robin Kampes, et al.
Veröffentlicht: (2024)

Exploring the Adsorption Features of Furan and 1, n ‐Dioxane as Environmental Toxins on Two‐Dimensional RuC Nanosheet: A DFT Study
von: Amna H. M. Mahmoud, et al.
Veröffentlicht: (2025)