Results 41 to 50 of about 991 (116)

Cytogenotoxic Effects of Fluopyram in Allium cepa Root Cells Involving Microtubule Disruption

Environmental Toxicology, EarlyView.
ABSTRACT Fluopyram is a next‐generation fungicide widely used in agriculture; however, its persistence in soils and mobility toward aquatic systems have raised concerns regarding potential ecotoxicological risks. This study evaluated the cytogenotoxic effects of a commercial fluopyram‐based pesticide formulation on Allium cepa root meristem cells ...
Carlos Filipe Camilo‐Cotrim, Natanael Alves da Silva, Gabriela Gomes Lima, Igor Rodrigues Vasconcelos, Luciana Souza Ondei, Elisa Flávia Luiz Cardoso Bailão, Antônio Sérgio Nakao de Aguiar, Marcelino Benvindo‐Souza, Leonardo Luiz Borges, Virgínia Damin, Luciane Madureira Almeida   +10 more
wiley   +1 more source

Proton transfer from 1,4-pentadiene to superoxide radical anion: a QTAIM analysis

Revista Colombiana de Química, 2014
We studied the bis-allylic proton transferreaction from 1,4-pentadiene to superoxideradical anion (O2·־). Minima andtransition state geometries, as well asthermochemical parameters were computedat the B3LYP/6-311+G(3df,2p)level of theory.
Angela Rodríguez-Serrano, Martha Daza, Markus Doerr, Jose Luis Villaveces   +3 more
doaj  

Antimicrobial Residues in a Key Cerrado River: Distribution, Persistence, and Effects on Zebrafish Embryo‐Larval Development

Environmental Toxicology, EarlyView.
ABSTRACT The current study aimed to quantify the antimicrobials amoxicillin (AMX), cefazolin (CFZ), chloramphenicol (CHL), metronidazole (MTZ), and sulfamethoxazole (SX) in effluents and surface water of an important Cerrado river, calculate their half‐lives, and analyze their ecotoxicity following single and combined exposures.
Náthala Maria Simão, Igor Romeiro dos Santos, Jerônimo Raimundo de Oliveira Neto, Flávio Olimpio Sanches Neto, Felipe Cirqueira Dias, Jéssyca Moreira Morais, Lorranny Pereira de Assis Valadares, Naiara Raica Lopes de Oliveira, Mirelle Garcia Silva Bailão, Luiz Carlos da Cunha, Valter Henrique Carvalho‐Silva, Thiago Lopes Rocha, Elisa Flávia Luiz Cardoso Bailão   +12 more
wiley   +1 more source

Applying a Nonspin-Flip Reaction Scheme to Explain for the Doublet Sulfide Oxides SMO2 Observed for the Reactions of SO2 with V(4F), Nb(6D), and Ta(4F)

Journal of Nanotechnology, 2018
Energy profiles linking the reactants M + SO2 (M = V(4F), Nb(6D;4F), and Ta(4F)) with the products observed for these reactions under matrix-isolation conditions, mainly the oxide complex OV(η2-SO) and the sulfide oxides SVO2, SNbO2, and STaO2, have been
Carlos Velásquez, Ana E. Torres, Jorge M. Seminario, Fernando Colmenares   +3 more
doaj   +1 more source

Energy and Planarity in Boron‐Nitrogen Fulvene Isomers: A Quantum‐Chemical and QSPR Study

International Journal of Quantum Chemistry, Volume 126, Issue 15, August 5, 2026.
Electronic structure quantum‐chemical computations and Quantitative Structure–Property Relationships (QSPR) regression and classification models are used as complementary tools for classifying unknown boron‐nitrogen fulvene isomers with respect to energy order and planarity.
Gustavo E. Massaccesi, Pablo R. Duchowicz, Diego R. Alcoba, Ofelia B. Oña, Luis Lain, Alicia Torre, David L. Cooper, Josep M. Oliva‐Enrich   +7 more
wiley   +1 more source

Soft Colloidal Robots: Magnetically Guided Liquid Crystal Torons for Targeted Micro‐Cargo Delivery

Small, Volume 22, Issue 37, 2 July 2026.
Torons, topological quasiparticles in liquid crystals, can be propelled using electric fields and precisely steered with magnetic alignment, enabling programmable motion without fluid flow. In microfluidic channels, they transport colloidal cargo and exhibit novel dynamic behavior. Their uniformity, softness, and reconfigurability make torons ideal for
Joel Torres‐Andrés, Rodrigo C. V. Coelho, Patrick Oswald, Francesc Sagués, Jordi Ignés‐Mullol   +4 more
wiley   +1 more source

Logros y perspectivas de la Química Teórica

Educación Química, 2018
Se presenta una revisión de los métodos que se han desarrollado dentro de la Quí- mica Teórica para estudiar a la materia en diversas escalas de espacio y tiempo.
Alberto Vela
doaj   +1 more source

Mapping Functionally Relevant Tractable Lysines of Challenging Protein Targets by Covalent Fragment Screening

ChemBioChem, Volume 27, Issue 11, 15 June 2026.
Screening a lysine‐targeting covalent fragment library against challenging protein targets revealed suitable warheads and characterized binding sites for the development of targeted covalent ligands. Covalent fragment screening has become an established strategy for identifying targetable amino acid residues or viable chemical starting points against ...
Noémi Csorba, Péter Ábrányi‐Balogh, Zoltán Orgován, Tibor Viktor Szalai, György G. Ferenczy, Levente Kollár, Nikolett Péczka, Tímea Imre, József Simon, Pál Szabó, Gitta Schlosser, Martina Hrast, Stanislav Gobec, Varbina Ivanova, Carles Galdeano, Aleksandra Kopranovic, Marc Neumann, Franz‐Josef Meyer‐Almes, György Miklós Keserű   +18 more
wiley   +1 more source

Predicting toxicity of triazole fungicide: A molecular-based insight into triadimefon and triadimenol

Results in Chemistry
Background: Triazole fungicides, such as triadimefon (TF) and its stereoisomeric metabolite, triadimenol (TN), remain cornerstone agrochemicals. However, their stereochemistry may affect shape reactivity, intermolecular recognition, and ecotoxicity in ...
Áureo B. Souza, Ronaldo G. Freitas Junior, Ana L.M. Monteiro, Leonardo R. de Almeida, Lucas D. Dias, Lucas B. Ribeiro de Carvalho, Hamilton B. Napolitano, Leonardo L. Borges, Antônio S.N. Aguiar   +8 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 1; peer review: 2 approved]

F1000Research, 2019
Background: Heat shock protein (Hsp90KDa) is a molecular chaperone involved in the process of cellular oncogenesis, hence its importance as a therapeutic target in clinical trials.
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