Results 21 to 30 of about 69,991 (228)

Synthesis and structures of O-anthrylmethyl-substituted hexahomotrioxacalix[3]arenes [PDF]

, 2016
O-Alkylation of 7,15,23-tri-tert-butyl-25,26,27-trihydroxy-2,3,10,11,18,19-hexahomo-3,11,19-trioxacalix[3]arene (1H₃) with 9-chloromethylanthracene 5 was carried out under different reaction conditions.
Ikejiri, Yusuke, Jiang, Xue-Kai, Ni, Xi-Long, Redshaw, Carl, Yamato, Takehiko, Zeng, Xi   +5 more
core   +1 more source

Genotoxicity assessment of piperitenone oxide: an in vitro and in silico evaluation [PDF]

, 2017
Piperitenone oxide, a natural flavouring agent also known as rotundifolone, has been studied for the genotoxicity assessment by an integrated in vitro and in silico experimental approach, including the bacterial reverse mutation assay, the micronucleus ...
Abete, Lorena, Barile, Fabio, Bozovic, Mijat, DI GIACOMO, Silvia, DI SOTTO, Antonella, Izzo, Angelo A, Mazzanti, Gabriela, Parisi, Olga A, Ragno, Rino, Vitalone, Annabella   +9 more
core   +1 more source

Counterfeit medicines in Peru: a retrospective review (1997–2014)

BMJ Open, 2016
Objective To consolidate and assess information on counterfeit medicines subject to pharmaceutical alerts issued by the Peruvian Medicines Regulatory Authority over 18 years (1997–2014) of health monitoring and enforcement.Design A retrospective review ...
Edwin Medina, Elvira Bel, Josep María Suñé   +2 more
doaj   +1 more source

checkCIF validation ALERTS: what they mean and how to respond

Acta Crystallographica Section E: Crystallographic Communications, 2020
Authors of a paper that includes a new crystal-structure determination are expected to not only report the structural results of interest and their interpretation, but are also expected to archive in computer-readable CIF format the experimental data on ...
Anthony L. Spek
doaj   +1 more source

Prediction and mechanistic analysis of drug-induced liver injury (DILI) based on chemical structure

Biology Direct, 2021
Background Drug-induced liver injury (DILI) is a major safety concern characterized by a complex and diverse pathogenesis. In order to identify DILI early in drug development, a better understanding of the injury and models with better predictivity are ...
Anika Liu, Moritz Walter, Peter Wright, Aleksandra Bartosik, Daniela Dolciami, Abdurrahman Elbasir, Hongbin Yang, Andreas Bender   +7 more
doaj   +1 more source

Tracking advanced persistent threats in critical infrastructures through opinion dynamics [PDF]

, 2018
Advanced persistent threats pose a serious issue for modern industrial environments, due to their targeted and complex attack vectors that are difficult to detect.
A Lemay, C-T Lin, DJ Watts, EM Hutchins, GA Pagani, J Kneis, JE Rubio, L Cazorla, P Chen, R Hegselmann, TW Haynes   +10 more
core   +1 more source

Predicting non-chemotherapy drug-induced agranulocytosis toxicity through ensemble machine learning approaches

Frontiers in Pharmacology
Agranulocytosis, induced by non-chemotherapy drugs, is a serious medical condition that presents a formidable challenge in predictive toxicology due to its idiosyncratic nature and complex mechanisms.
Xiaojie Huang, Xiaochun Xie, Shaokai Huang, Shanshan Wu, Lina Huang   +4 more
doaj   +1 more source

Modeling and insights into the structural characteristics of endocrine-disrupting chemicals

Ecotoxicology and Environmental Safety, 2023
Endocrine-disrupting chemicals (EDCs) can cause serious harm to human health and the environment; therefore, it is important to rapidly and correctly identify EDCs.
Ruiqiu Zhang, Bailun Wang, Ling Li, Shengjie Li, Huizhu Guo, Pei Zhang, Yuqing Hua, Xueyan Cui, Yan Li, Yan Mu, Xin Huang, Xiao Li   +11 more
doaj   +1 more source

Topological structural alerts modulations of mammalian cell mutagenicity for halogenated derivatives [PDF]

, 2013
Genotoxicity is a key toxicity endpoint for current regulatory requirements regarding new and existing chemicals. However, genotoxicity testing is time-consuming and costly, and involves the use of laboratory animals. This has motivated the development
Borges, F., Combes, R. D., Gil Izquierdo, Francisco, Morales Helguera, Aliuska, Pérez Garrido, Alfonso   +4 more
core   +2 more sources

A new structure-activity relationship (SAR) model for predicting drug-induced liver injury, based on statistical and expert-basedstructural alerts.

Frontiers in Pharmacology, 2016
The prompt identification of chemical molecules with potential effects on liver may help in drug discovery and in raising the levels of protection for human health.
Fabiola Pizzo, Anna Lombardo, Alberto Manganaro, Emilio Benfenati   +3 more
doaj   +1 more source