Results 31 to 40 of about 963 (111)

In Silico Screening of the DrugBank Database to Search for Possible Drugs against SARS-CoV-2

Molecules, 2021
Coronavirus desease 2019 (COVID-19) is responsible for more than 1.80 M deaths worldwide. A Quantitative Structure-Activity Relationships (QSAR) model is developed based on experimental pIC50 values reported for a structurally diverse dataset.
Sebastián A. Cuesta, José R. Mora, Edgar A. Márquez   +2 more
doaj   +1 more source

GAS PHASE DECOMPOSITION OF T-BUTYL METHYL ETHER CATALYZED BY DIFFERENT HYDROGEN HALIDES: A DFT STUDY

infoANALITÍCA, 2022
The gas phase decomposition of t-butyl methyl ether catalyzed by hydrogen halides is studied. Four different hydrogen halides (fluorine, chlorine, bromine, and iodine) were evaluated to determine the electronic influence of the halogen in the reaction ...
Sebastian Adolfo Cuesta, Jose Mora, Edgar Márquez   +2 more
doaj   +1 more source

A Cu‐Based Near‐IR Active MOF with an Ion‐Pair Guest Exhibiting Versatile and Selective Gas‐Solid Reactivity

Advanced Materials, EarlyView.
The new Cu‐containing MOF (Me2NH2)(CuICl2)@[Cu4(INA)4Cl2O]·1.5dmf (3) contains a cation and an anion as guests and shows UV‐near‐mid‐IR absorption and near‐IR emission. MOF 3 shows gas‐solid reactivity in the presence of NH3 and HCOOH to yield two new 3D MOF.
Rajat Saha, Alejandro Cortés‐Villena, Silvia Gómez‐Coca, Alberto Fernández‐Alarcón, Joaquín Calbo, Raquel E. Galian, Enrique Ortí, Eliseo Ruiz, Mónica Giménez‐Marqués, Samia Benmansour, Carlos J. Gómez‐García   +10 more
wiley   +1 more source

COFs on MOFs: Layer‐by‐Layer Synthesis of MOF@COF Nanoparticles with Synergistic Adsorption

Advanced Materials, EarlyView.
A layer‐by‐layer strategy enables the growth of crystalline covalent organic framework (COF) shells on metal–organic framework nanoparticles, creating core–shell structures with tunable porosity. Ordered interstitial mesopores are formed during shell growth, which are connected with the COF's intrinsic micropores, thereby enhancing water sorption. This
Ana Guillem‐Navajas, Lucía Torrico‐García‐Viso, Jose Antonio Suárez del Pino, Nekane Aramburu‐Merino, Pilar Segovia, Enrique G. Michel, Josep Puigmartí‐Luis, Enrique Velasco, Pedro Tarazona, Daniel Maspoch, David Rodríguez‐San‐Miguel, Félix Zamora   +11 more
wiley   +1 more source

In Vitro Cytotoxicity of Fluorinated Quaternary Ammonium Salts in Colorectal Cancer Cells and In Silico Pharmacology

Advances in Pharmacological and Pharmaceutical Sciences
Colorectal cancer (CRC) is a multifactorial disease driven by genetic and epigenetic alterations that modulate specific metabolic pathways. Despite the availability of effective treatments like 5-fluorouracil (5-FU), pharmacological therapy for CRC still
Adriana Milena Olarte Aponte, Victoria Ospina, Sergio A. Pulido, Luz Amalia Ríos-Vásquez, Luz Adriana Betancur Jaramillo, Carlos Mario Muñetón Peña, Rogelio Ocampo-Cardona, Sara M. Robledo   +7 more
doaj   +1 more source

A Soft, Flexible Implant for Wireless Photothermal–Pyroelectric Neurostimulation

Advanced Science, EarlyView.
A replication strategy is used to enlarge the exposed surface area of barium titanate within flexible films with embedded carbon nanotubes, enabling efficient photothermal‐pyroelectric stimulation. Polar crystalline nanosheets show superior performance in guiding neural progenitor cells toward neuronal differentiation.
Jiang Wu, Minmin Mao, Beltzane Garcia Cirera, Hao Ye, Xiangzhong Chen, Josep Puigmartí‐Luis, Ni Qin, Salvador Pané   +7 more
wiley   +1 more source

Structural Studies of Sodium Counterion on Naproxen: From Solid State to Stability

Advanced Physics Research
Naproxen (NPX) is a widely used nonsteroidal anti‐inflammatory drug (NSAID) with limited aqueous solubility, commonly formulated as its sodium salt (SNPX) to enhance dissolution and absorption.
Antônio S. N. Aguiar, Pietra Z. Felimberti, Vitor S. Duarte, Leonardo L. Borges, Ademir J. Camargo, Pal Perjesi, Hamilton B. Napolitano   +6 more
doaj   +1 more source

Unsupervised learning techniques for clustering analysis of physicochemical properties in the periodic table elements

Results in Chemistry
The Periodic Table of Elements, a cornerstone of chemical sciences, has traditionally been structured based on the physicochemical properties of its elements.
Sebastián Consuegra-Jiménez, Cesar Tovio-Gracia, Ricardo Vivas-Reyes   +2 more
doaj   +1 more source

Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods [version 2; peer review: 2 approved]

F1000Research, 2020
Background: Heat shock protein (Hsp90KDa) is a molecular chaperone involved in the process of cellular oncogenesis, hence its importance as a therapeutic target.
Ricardo Vivas-Reyes, Alejando Morales-Bayuelo, Carlos Gueto, Juan C. Drosos, Johana Márquez Lázaro, Rosa Baldiris, Maicol Ahumedo, Catalina Vivas-Gomez, Dilia Aparicio   +8 more
doaj   +1 more source

Enhancing Sensitivity across Scales with Highly Sensitive Hall Effect‐Based Auxetic Tactile Sensors

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
Herein, a tactile sensor based on hall‐effect sensors with an auxetic structure, called Hall effect‐based auxetic tactile sensor (HEATS), is proposed. The change in magnetism resulting from the deformation of the auxetic structure is utilized for sensing.
Youngheon Yun, Dongchan Lee, Soyeon Lee, Salvador Pané, Josep Puigmartí‐Luis, Sungwoo Chun, Bumjin Jang   +6 more
wiley   +1 more source