Results 111 to 120 of about 69,485 (336)

Computational Toxicology—A State of the Science Mini Review [PDF]

, 2007
Robert J. Kavlock, Gerald T. Ankley, Jerry N. Blancato, Michael S. Breen, Rory B. Conolly, David J. Dix, Keith A. Houck, Elaine A. Cohen Hubal, Richard Judson, James R. Rabinowitz, Ann M. Richard, R. Woodrow Setzer, Imran Shah, Daniel L. Villeneuve, E. Weber   +14 more
openalex   +1 more source

Combined Inductive and Dispersion Effects Enhance Bioorthogonal Reactivity of Tetrazines Toward Isonitriles

Angewandte Chemie International Edition, EarlyView.
Bulky, electron‐withdrawing substituents can significantly enhance the reactivity and stability of tetrazines toward isonitriles, addressing a key challenge in bioorthogonal chemistry. This study explores the role of frontier‐orbital interactions, dispersion forces, and molecular conformation in optimizing tetrazine performance, leading to highly ...
Suprakash Biswas, Andreas Löffler, Pushkar Bansal, Randall T. Peterson, Dennis Svatunek, Raphael M. Franzini   +5 more
wiley   +1 more source

Comprehensive computational analysis via Adverse Outcome Pathways and Aggregate Exposure Pathways in exploring synergistic effects from radon and tobacco smoke on lung cancer

Frontiers in Public Health
Lung cancer remains the leading cause of cancer mortality worldwide, with tobacco smoke and radon exposure being the primary risk factors. The interaction between these two factors has been described as sub-multiplicative, but a better understanding is ...
Thomas Jaylet, Vinita Chauhan, Laura Mezquita, Nadia Boroumand, Olivier Laurent, Karine Elihn, Lovisa Lundholm, Olivier Armant, Karine Audouze   +8 more
doaj   +1 more source

In Vitro and Predictive Computational Toxicology Methods for the Neurotoxic Pesticide Amitraz and Its Metabolites. [PDF]

Brain Sci, 2023
Giorgini M, Taroncher M, Ruiz MJ, Rodríguez-Carrasco Y, Tolosa J.   +4 more
europepmc   +1 more source

Exploring Multi‐Organ Crosstalk via the TissUse HUMIMIC Chip System: Lessons Learnt So Far

Biotechnology and Bioengineering, EarlyView.
ABSTRACT Three‐dimensional (3D) in vitro cell culture models have revolutionized biomedical research by mimicking the complex 3D in vivo environment in the human body. Different types of 3D models have been established, including heterotypic systems such as, organ‐on‐a‐chips which have been further developed into multiorgan‐on‐chip systems that ...
Filsan Ahmed Abokor, Safiya Al Yazeedi, Janaeya Zuri Baher, Chung Cheung, Don D. Sin, Emmanuel Twumasi Osei   +5 more
wiley   +1 more source

A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents

Toxics
Skin sensitization is a significant concern for chemical safety assessments. Traditional animal assays often fail to predict human responses accurately, and ethical constraints limit the collection of human data, necessitating a need for reliable in ...
Ricardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin, James Wellnitz, Miguel Canamary Otoch, Marielle Rath, Alexander Tropsha, Eugene N. Muratov, Nicole Kleinstreuer   +8 more
doaj   +1 more source

In silico toxicology models and databases as FDA Critical Path Initiative toolkits

Human Genomics, 2011
In silico toxicology methods are practical, evidence-based and high throughput, with varying accuracy. In silico approaches are of keen interest, not only to scientists in the private sector and to academic researchers worldwide, but also to the public ...
Valerio Luis G
doaj   +1 more source

Creating A Course Based Undergraduate Research Experience (CURE) Genetics Yeast Laboratory Course at Xavier University of Louisiana

Biochemistry and Molecular Biology Education, EarlyView.
ABSTRACT Course‐based undergraduate research experiences (CUREs) are important for providing undergraduates with authentic research experiences. At Xavier University of Louisiana, a Genetics Laboratory CURE course was developed and implemented. The goals of developing this Genetics CURE laboratory course were: (1) to provide a large number of students ...
Joanna E. Haye‐Bertolozzi, Cecily B. DeFreece, Christopher Bolden, Kalila Daveron, Hector Biliran   +4 more
wiley   +1 more source

Chemical Reactivity and Skin Sensitization Studies on a Series of Chloro- and FluoropyrrolesA Computational Approach

ACS Omega, 2021
Jaganathan Padmanabhan, Zeeshan Arif, Prakrity Singh, Ramakrishnan Parthasarathi   +3 more
doaj   +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