Results 61 to 70 of about 21,882 (246)

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Utilizing Multiple Behavioral Endpoints to Identify Negative Control Chemicals in a Larval Zebrafish Behavior Assay

Toxics
Identifying reliable negative control compounds is essential for determining the sensitivity and specificity of screening assays. However, well-characterized negative controls for developmental neurotoxicity behavioral assays in larval zebrafish (Danio ...
Bridget R. Knapp, Deborah L. Hunter, Jeanene K. Olin, Stephanie Padilla, Kimberly A. Jarema   +4 more
doaj   +1 more source

Implantation‐On‐Chip: An AI‐Based Platform for Monitoring the Embryo Trophoblast–Endometrial Stroma Cross Talk With Xenobiotics Interference

Advanced Intelligent Systems, EarlyView.
We present a novel AI‐integrated implantation‐on‐chip platform that enables mimicking and monitoring the maternal–fetal interactions at the early phases of human embryo implantation with high spatiotemporal resolution. The complexity of the trophoblast invasion process was addressed by conducting the analysis at global (rate of invasion) and local ...
Joanna Filippi, Valentina Lacconi, Arianna Mencattini, Micol Massimiani, Dolores Lobresca, Gaia Posanzini, Alessia Riccardi, Paola Casti, Michele D’Orazio, Gianni Antonelli, Giorgia Curci, Luisa Campagnolo, Eugenio Martinelli   +12 more
wiley   +1 more source

Von In‐Silico bis In‐Cerebro – Entwicklung des Orexinrezeptor Antagonisten „Photorexant“ zur Photomodulation In Vitro und im Gehirn der Maus

Angewandte Chemie, EarlyView.
Durch einen strukturbasierten Designansatz wurden photoschaltbare Derivate des von der FDA zugelassenen Arzneistoffes Suvorexant entwickelt, gedockt, synthetisiert und pharmakologisch an den Orexin‐1‐ und 2‐Rezeptoren (OX1R und OX2R) charakterisiert.
Marcus Angermann, Marie H. Deventer, Vicente Ledesma‐Martin, Nuno Martinho, Alix Flake, Silvia Mori, Angel Nuñez, Jaime Pignatelli, Rita C. Guedes, Christophe P. Stove, Michael Decker   +10 more
wiley   +1 more source

In Silico to In Cerebro—Development of the Orexin Receptor Antagonist “Photorexant” for Photomodulation In Vitro and in Mouse Brains

Angewandte Chemie International Edition, EarlyView.
Following a structure‐based design approach, photoswitchable derivatives of the FDA‐approved drug suvorexant were designed, docked, synthesized, and characterized pharmacologically at the orexin 1 and 2 receptors (OX1R and OX2R). Optimized “photorexant” showed up to an 11‐fold difference in IC50 between photoisomers, enabled dynamic and reversible ...
Marcus Angermann, Marie H. Deventer, Vicente Ledesma‐Martin, Nuno Martinho, Alix Flake, Silvia Mori, Angel Nuñez, Jaime Pignatelli, Rita C. Guedes, Christophe P. Stove, Michael Decker   +10 more
wiley   +1 more source

Predicting toxicity of chemicals: software beats animal testing

EFSA Journal, 2019
We created earlier a large machine‐readable database of 10,000 chemicals and 800,000 associated studies by natural language processing of the public parts of Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) registrations until
Thomas Hartung
doaj   +1 more source

Analysis of biomarker utility using a PBPK/PD model for carbaryl

Frontiers in Pharmacology, 2014
There are many types of biomarkers; the two common ones are biomarkers of exposure and biomarkers of effect. The utility of a biomarker for estimating exposures or predicting risks depends on the strength of the correlation between biomarker ...
Martin Blake Phillips, Miyoung eYoon, Bruce eYoung, Yu-Mei eTan   +3 more
doaj   +1 more source

Spectroscopic and In Silico Determination of the Structural and Antioxidant Properties of Essential Oils From Lavandula Species Cultivated in the Silivri Region of Istanbul

Journal of the American Oil Chemists' Society, EarlyView.
ABSTRACT Plants are important sources of bioactive compounds that contribute to nutrition, health maintenance, and disease prevention. In this study, the chemical composition and antioxidant potential of essential oils obtained from Lavandula angustifolia “Sevtopolis” and Lavandula × intermedia cultivated in the Silivri region of Istanbul were ...
Bilge Bicak, Beray Kizilkaya, Serda Kecel Gunduz, Aliye Demet Demirag, Sabriye Percin Ozkorucuklu   +4 more
wiley   +1 more source

A new approach methodology to identify tumorigenic chemicals using short-term exposures and transcript profiling

Frontiers in Toxicology
Current methods for cancer risk assessment are resource-intensive and not feasible for most of the thousands of untested chemicals. In earlier studies, we developed a new approach methodology (NAM) to identify liver tumorigens using gene expression ...
Victoria Ledbetter, Victoria Ledbetter, Scott Auerbach, Logan J. Everett, Beena Vallanat, Anna Lowit, Gregory Akerman, William Gwinn, Leah C. Wehmas, Michael F. Hughes, Michael Devito, J. Christopher Corton   +11 more
doaj   +1 more source

Design Considerations for Polymer–Deep Eutectic Solvent Hybrid Systems for Transdermal Drug Delivery

Journal of Applied Polymer Science, EarlyView.
Deep eutectic solvents (DESs) act as tunable, green excipients that modulate polymer structure–property relationships to enhance drug solubility, skin permeation, stability, and controlled release. Through hydrogen‐bond interactions, DES–polymer hybrid systems enable improved transdermal performance, offering a rational, design‐driven platform for ...
Madhavi Kailas Kapale, Madhur Kulkarni, Pranav J. Shah, Furqan A. Maulvi   +3 more
wiley   +1 more source