By exploiting data from the Toxic Release Inventory of the United States, we have established that the toxicological footprint (TF) increased by 3.3% (88.4 Mt) between 1998 and 1999 and decreased by 39% (1088.5 Mt) between 1999 and 2013. From 1999 to 2006, the decreasing TF was driven by improvements in emissions intensity (i.e. gains in production efficiency) through toxic chemical management ...

The mechanistic relationship of the inhibition of gap junctional intercellular communication (GJIC) to other toxicological phenomena was explored using a recently developed method that models the properties of a large population of molecules chosen to represent the 'universe of chemicals'. The analyses indicate that inhibition of GJIC is strongly linked to the carcinogenic process in rodents, t...

Read-across, i.e. filling toxicological data gaps by relating to similar chemicals, for which test data are available, is usually done based on chemical similarity. Besides structure and physico-chemical properties, however, biological similarity based on biological data adds extra strength to this process. In the context of developing Good Read-Across Practice guidance, a number of case studie...

The U.S. Environmental Protection Agency (EPA) is developing methods for utilizing computational chemistry, high-throughput screening (HTS), and various toxicogenomic technologies to predict potential for toxicity and prioritize limited testing resources toward chemicals that likely represent the greatest hazard to human health and the environment. This chemical prioritization research program,...

Polycyclic aromatic hydrocarbons (PAHs) are a class of chemical substances consisting carbon and hydrogen only, which have multiple fused ring systems. Although PAHs widely recognised as contaminants concern (CoC), no applicable limits been established for groundwater in the Romanian legislation. Furthermore, existing methodologies do not include guidelines assessing human exposure to contamina...

N-acyloxyalkylation of NH-acidic compounds can be a prodrug approach for e.g. tertiary or some N-heterocyclic amines and secondary amides and have the potential to modify the properties of the parent drug for specific uses, for example its physicochemical, pharmacokinetic or biopharmaceutical properties. Aripiprazole lauroxil was prepared as a model compound for such prodrugs and its bioconvers...

Depleted uranium (DU) is a by-product from the chemical enrichment of naturally occurring uranium. Natural uranium is comprised of three radioactive isotopes: (238)U, (235)U, and (234)U. This enrichment process reduces the radioactivity of DU to roughly 30% of that of natural uranium. Nonmilitary uses of DU include counterweights in airplanes, shields against radiation in medical radiotherapy u...

OBJECTIVE To evaluate the impact of the application of the "Pesticides Law" (Law no. 7,802/89) on the toxicological classification profile of registered pesticides in Brazil, from 1990 to 2000. METHODS Data on registered commercial products in the years 1990 and 2000 were analyzed according to toxicological class, date of registration of the active ingredient (before or after the Law) and usa...