Statistical methods for in silico tools used for risk assessment and toxicology

In silico toxicology is one type of toxicity assessment that uses computational methods to visualize, analyze, simulate, and predict the toxicity of chemicals. It is also one of the main steps in drug design. Animal models have been used for a long time for toxicity testing. Animal studies for the type of toxicological information needed are both expensive and time-consuming, and to that, ethical consideration is added. Many different types of in silico methods have been developed to characterize the toxicity of chemical materials and predict their catastrophic consequences to humans and the environment. In light of European legislation such as Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) and the Cosmetics Regulation, in silico methods for predicting chemical toxicity have become increasingly important and used extensively worldwide e.g., in the USA, Canada, Japan, and Australia. A popular problem, concerning these methods, is the deficiency of the necessary data for assessing the hazards. REACH has called for increased use of in silico tools for non-testing data as structure-activity relationships, quantitative structure-activity relationships, and read-across. The main objective of the review is to refine the use of in silico tools in a risk assessment context of industrial chemicals.

Management of Chemical Terrorism and Chemical Disasters

Though the possibility of terrorist groups obtaining chemical weapons and inflicting mass destruction are relatively low, the relevance of chemical agents still remains high since use of such chemical agents in causing potentially dangerous consequences remains very high. Sporadic chemical attacks and chemical disasters happen all over the world and they cause long lasting damages. Easy accessibility to variety of toxic industrial chemicals and the relatively simple know-how needed to synthesize chemical agents pose a serious threat. However, technological developments and the easy availability of information have empowered the security forces and the law enforcement agencies to formulate responsive mechanism to mitigate the ill effects of chemical disasters. Though the international and national agencies strive hard to ward off the debilitating effects of chemical agents and disasters, the capability of such efforts in addressing the potential risks remains doubtful. This review describes the characteristics and classification of chemical agents and toxic industrial chemicals, their physico – chemical properties, detection, decontamination and response by the security agencies and first responders in addressing the threat to mankind in the form of chemical terrorism and chemical disasters.

Sensitivity analysis for detecting chemicals by the optical chemical sensor based Photonic Crystal Fiber (PCF) in the Terahertz (THz) regime

This research article demonstrates a good simulation result for identifying and detecting various industrial chemicals in a Terahertz (THz) waveguide with a new heptagonal, five layers of heptagonal photonic fiber elliptic form, heptagonal clading shape (H-PCF). COMSOL 4.2 software based on finite element (FEM) methods and perfectly matched layers check our composition (PML). The different chemicals are also differentiated and identified by each other in different parameters H-PCF fibers show a high relative sensitivity of ethanol of approximately 86.50 percent after numerical analysis, Benzene around 89.35%, and water around 85.15% at a frequency of around 0.7 THz. In our experiment, we obtained very low confinement losses at 1 terahertz (THz) such as 5.95×10−08 dB/m for Ethanol 6.67×10−08 dB/m for Benzene, and 5.80×10−08 dB/m for water. Regarding these results, we can strongly recommend that our proposed heptagonal photonic crystal fiber (H-PCF) will be more congenial in biomedical, bio-medicine, and industrial areas for the identification and detection of various types of chemicals with the help of a THz waveguide.

Citizen-led sampling to monitor phosphate levels in freshwater environments using a simple paper microfluidic device

Contamination of waterways is of increasing concern, with recent studies demonstrating elevated levels of antibiotics, antidepressants, household, agricultural and industrial chemicals in freshwater systems. Thus, there is a growing demand for methods to rapidly and conveniently monitor contaminants in waterways. Here we demonstrate how a combination of paper microfluidic devices and handheld mobile technology can be used by citizen scientists to carry out a sustained water monitoring campaign. We have developed a paper-based analytical device and a 3 minute sampling workflow that requires no more than a container, a test device and a smartphone app. The contaminant measured in these pilots are phosphates, detectable down to 3 mg L-1. Together these allow volunteers to successfully carry out cost-effective, high frequency, phosphate monitoring over an extended geographies and periods.

Features of GSTM1, GSTT1 and GSTP1 Genetic Polymorphism in Nizhny Tagil Metallurgical Plant Workers with Cardiovascular Diseases

Background: The development of cardiovascular diseases is determined not only by working conditions but also by genetic characteristics of employees. Genetic GSTM1, GSTT1 and GSTP1 variations contribute to individual differences in responses to industrial chemicals and carcinogens. Objective: To study the features of the genetic polymorphism of the GSTM1, GSTT1, and GSTP1 genes in metallurgical plant workers with diseases of the cardiovascular system in the town of Nizhny Tagil, Sverdlovsk Region, Russian Federation. Materials and methods: The case cohort included 61 men aged 33 to 61 years (mean: 48.15 ± 7.50 years), working in the converter shop and suffering from heart diseases. The control cohort consisted of 29 conditionally healthy male employees, aged 23–56, of the same iron and steel works having no signs of a cardiovascular disease. The DNA was isolated from peripheral blood using a standard technique. Deletion polymorphism of GSTM1 and GSTT1 genes was determined by quantitative PCR; Ile105Val polymorphism of the GSTP1 gene was established by qPCR using a commercial test kit. Results: We observed no statistically significant differences between the cohorts for any of the studied genes. The frequency of occurrence of the combination of GSTM1 (0/0) and GSTT1 (0/0) in the cases and controls was 14 % and 11 %, respectively, but the difference was negligible. Conclusions: Our findings demonstrate that the presence of null genotypes of GSTM1, GSTT1, as well as the mutant GSTP1 allele and the associated loss of enzyme activity contribute little to the development of cardiovascular diseases in workers exposed to occupational hazards.

A Review on Male Infertility - Environmental Factors, Pathophysiological and Oxidative Stress

Male infertility is one of the rising global problems with an increasing decline in male semen quality among men living in Asia, Europe, Africa and North America. Infertility is defined as the failure of conception after at least 12 months of unprotected intercourse. Globally 70 million people are affected by infertility. Environmental, occupational and modifiable lifestyle factors may contribute to this decline of male fertility. Various factors associated with male infertility include smoking cigarettes, alcohol intake, use of illicit drugs, obesity, genetic factors, heavy metals, psychological stress, exposure to pesticides and industrial chemicals, poor nutrition intake, oxidative stress, sedentary lifestyle, advanced paternal age, diet and coffee consumption. KEY WORDS Infertility, Antioxidant, Environmental Factors, Endocrine Factors