Results 111 to 120 of about 73,306 (292)

Introduction to Special Issue: Computational Toxicology [PDF]

Chemical Research in Toxicology, 2021
Nicole C. Kleinstreuer, Igor V. Tetko, Weida Tong   +2 more
openaire   +3 more sources

Chemical research projects office: An overview and bibliography, 1975-1980 [PDF]

The activities of the Chemical Research Projects Office at Ames Research Center, Moffett Field, California are reported. The office conducts basic and applied research in the fields of polymer chemistry, computational chemistry, polymer physics, and ...
Heimbuch, A. H., Kourtides, D. A., Parker, J. A.   +2 more
core   +1 more source

Federated Learning in Computational Toxicology: An Industrial Perspective on the Effiris Hackathon. [PDF]

Chem Res Toxicol, 2023
Bassani D, Brigo A, Andrews-Morger A.
europepmc   +1 more source

Boron Neutron Capture Therapy at a Crossroads: Translational Gap and Emerging Delivery Agents

Chemistry – A European Journal, EarlyView.
This review surveys recent advances in boron delivery agents for BNCT, emphasizing the shift from classical small molecules to multifunctional nanocarriers and theranostic systems. By integrating targeting, imaging, and therapy, next‐generation boron compounds aim to bridge the gap between (bio)chemical innovation and clinical translation.
Christoph Selg, Evamarie Hey‐Hawkins
wiley   +1 more source

Per-and polyfluoroalkyl substances and disrupted sleep: mediating roles of proteins

Environmental Advances
Background: Per-and polyfluoroalkyl substances (PFAS) contamination may disrupt sleep through disrupted metabolic and immune functions. The study aims to investigate the association and potential mechanism between PFAS and sleep. Methods: We included 136
Shiwen Li, Jesse A. Goodrich, Jiawen Carmen Chen, Elizabeth Costello, Emily Beglarian, Jiawen Liao, Tanya L. Alderete, Damaskini Valvi, Brittney O. Baumert, Sarah Rock, Sandrah P. Eckel, Rob McConnell, Frank D. Gilliland, Zhanghua Chen, David V. Conti, Lida Chatzi, Max Aung   +16 more
doaj   +1 more source

Chemical engineering as an essential element of industrial biotechnology in Mexico: New aims in research and university education

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract On the centennial of higher education in Chemical Engineering in Mexico, it is pertinent to revisit the key stages that have contributed to its consolidation as a vital discipline for the nation's scientific and technological advancement. Although the initial mission of chemical engineering education was primarily oriented toward the training ...
Agustín López Munguía, Octavio T. Ramírez, Rafael Vazquez‐Duhalt, Eduardo Bárzana   +3 more
wiley   +1 more source

Quantum chemical calculations of nitrosamine activation and deactivation pathways for carcinogenicity risk assessment

Frontiers in Pharmacology
N-nitrosamines and nitrosamine drug substance related impurities (NDSRIs) became a critical topic for the development and safety of small molecule medicines following the withdrawal of various pharmaceutical products from the market.
Andreas H. Göller, Sandra Johanssen, Adam Zalewski, Verena Ziegler   +3 more
doaj   +1 more source

ToxicR: A computational platform in R for computational toxicology and dose-response analyses. [PDF]

Comput Toxicol, 2023
Wheeler MW, Lim S, House J, Shockley K, Bailer AJ, Fostel J, Yang L, Talley D, Raghuraman A, Gift JS, Davis JA, Auerbach SS, Motsinger-Reif AA.   +12 more
europepmc   +1 more source

Modeling Supports Combinatorial Effects Between Pharmacological and Non‐Pharmacological Interventions to Prevent Opioid‐Induced Cardiac Arrest

Clinical Pharmacology &Therapeutics, EarlyView.
Few studies have quantified the effects of non‐pharmacological interventions (e.g., rescue breathing) in the setting of community opioid overdose. We extended a previously validated model for opioid antagonists by incorporating the mechanism of rescue breathing, and quantified combinatorial effects between rescue breathing and various formulations of ...
Bradlee Thrasher, John Mann, Anik Chaturbedi, Shilpa Chakravartula, Hamed Meshkin, Affan Affan, Alexander Galluppi, Ji Young Kim, Nigar Karimli, Yue Han, Zachary Dezman, Jeffry Florian, Zhihua Li   +12 more
wiley   +1 more source

Editorial: Application of computational tools to health and environmental sciences, Volume II

Frontiers in Pharmacology, 2022
Patricia Ruiz, George Loizou
doaj   +1 more source