Results 141 to 150 of about 3,045,461 (301)

Computational Approaches to Developmental and Reproductive Toxicology

, 2019
Guest lecture to University of North Carolina Advanced Toxicology course: Reproductive Toxicology Section April ...
Thomas Knudsen (6632086)
core   +1 more source

Transitioning Formamide Solvothermal Syntheses of MOFs to Less Toxic Solvents

Chemistry – A European Journal, EarlyView.
Metal‐organic Frameworks (MOFs) are commonly synthesized in toxic formamide solvents. This study investigates the synthetic factors required for effective removal of formamides across various classes of MOFs, providing a foundation for designing new sustainable MOF syntheses.
Julia C. Donovan, Evelyn C. Peterson, Adam J. Matzger   +2 more
wiley   +1 more source

Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations

, 2010
Predicting binding affinities for receptor-ligand complexes is still one of the challenging processes in computational structurebased ligand design. Many computational methods have been developed to achieve this goal, such as docking and scoring methods,
Poongavanam, Vasanthanathan, Olsen, Lars, Vermeulen, Nico P E, Jørgensen, Flemming Steen, Vasanthanathan, Poongavanam, Vermeulen, Nico P E; id_orcid, Oostenbrink, Chris   +6 more
core   +1 more source

Mechanochemical Amidation Mediated by 1,1’‐Oxalyldiimidazole for the Synthesis of Agrochemicals

Chemistry – A European Journal, EarlyView.
Mechanochemical amidation using 1,1'‐oxalyldiimidazole (ODI) overcomes limitations of 1,1’‐carbonyl diimidazole (CDI) as coupling agent by enabling the efficient mechanochemical synthesis of three marketed agrochemicals from deactivated carboxylic acids.
Andrea Casagrande, Rubén Solorzano‐Rodriguez, Maria Carta, Francesco Delogu, Joris Vezzani, Allan Niidu, Evelina Colacino   +6 more
wiley   +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

Clinical Validation of a QSP Model for ISB 2001, a Trispecific T Cell Engager to Support Optimal FIH Study Design in RRMM Patients

Clinical Pharmacology &Therapeutics, EarlyView.
ISB 2001 is a trispecific antibody that binds to two tumor‐associated antigens (TAA), CD38 and BCMA, and crosslinks to CD3 on T cells resulting in T cell‐mediated cytotoxicity of tumor cells expressing these TAAs. ISB 2001 is currently being tested in relapsed and/or refractory multiple myeloma (RRMM) patients in the first‐in‐human (FIH) TRIgnite‐1 ...
Vinu Chandralayam Ayyappa Menon, Tomomi Matsuura, Beata Holkova, Girish S. Gudi, Adam Drake, Maria Pihlgren, Piet H. van der Graaf, Sunitha GN, Andrew Garton, Mario Perro, Cyril Konto, Lida Pacaud   +11 more
wiley   +1 more source

A Statistical Exploration of QSAR Models in Cancer Risk Assessment: A Case Study on Pesticide-Active Substances and Metabolites

Toxics
Data generated using new approach methodologies (NAMs), including in silico, in vitro, and in chemico approaches, are increasingly important for the hazard identification of chemicals.
Serena Greco, Cecilia Bossa, Chiara Laura Battistelli, Alessandro Giuliani   +3 more
doaj   +1 more source

Phase I Metabolism of Novel Phencyclidine Derivative 3‐Cl‐PCP: In Vitro Studies With Pooled Human Liver Microsomes and Investigation of a Post‐Mortem Case

Drug Testing and Analysis, EarlyView.
A fatal 3‐chloro‐phencyclidine (3‐Cl‐PCP) intoxication was investigated by analyzing postmortem samples and a pooled human liver microsomes assay. Tentative metabolite identification was performed by liquid chromatography‐quadrupole time‐of‐flight mass spectrometry (LC‐QTOF‐MS). Seven phase I metabolites were identified.
Johannes Kutzler, Tobias Veit, Thomas Keller, Volker Auwärter   +3 more
wiley   +1 more source

Systems biology in toxicology and environmental health

, 2015
Systems Biology in Environmental Health: From the Genome to the Epigenome brings a systems biological perspective to recent findings that link environmental exposures to human disease.
Fry, Rebecca C.
core  

Chapter 12. Computational Approaches for Predicting Nanotoxicity at the Molecular Level

, 2017
The rapid growth in nanomaterials (NMs), enabled by technology, has increased the likelihood of their exposure to humans and the environment. Understanding the toxicity of NMs is crucial for facilitating applications of NMs in biological settings.
Dhawan, Alok, Lokesh Baweja, Baweja, Lokesh, Alok Dhawan   +3 more
core   +1 more source