A computationally feasible quantum chemical model for 13C NMR chemical shifts of PCB-derived carboxylic acids

Two quantum chemical models have been derived for the prediction of 13C NMR chemical shifts of novel PCB acids obtained from PCBs by catalytic carbonylation. 13C isotropic shielding constants were calculated employing the GIAO (gauge-independent atomic orbital) method with density functional theory (DFT). The best results were obtained by cluster calculations, which took the solvent effects into account properly. In this approach, a solvent molecule (acetone) was attached by a hydrogen bond to every hydrogen atom present in a PCB acid, and the geometry of the molecular cluster was optimized employing the AM1 method. For 158 chemical shifts, the cross-validated standard error was 2.8 ppm and the cross-validated correlation coefficient was 0.94.     

Industrial and wildfire aerosol pollution over world heritage Lake Baikal

Lake Baikal is the biggest reservoir of fresh water with unique flora and fauna; presently it is negatively affected by climate change, water warming, industrial emissions, shipping, touristic activities, and Siberian forest fires. The assessment of air pollution - related Baikal's ecosystem damage is an unsolved problem. Ship, based expedition exploring the Baikal atmospheric aerosol loading, was performed over the lake area in July 2018. We combine the aerosol near - water and vertical distributions over the Lake Baikal basin with meteorological observations and air mass transportation simulations. Lidar sounding of aerosol fields in the troposphere assesses the atmospheric background in the pristine areas and the pollution during fire-affected periods. Aerosol optical properties (scattering and spectral absorption) converted to the particle number size, black carbon (BC) mass, and Absorption Angstrom Exponent (AAE) provide the inside into aerosol characterization. Transport of industrial emissions from Krasnoyarsk and Irkutsk regions, and wildfire plumes from Republic of Yakutia relates the pollution sources to the increased concentrations of fine particle numbers, PM₁₀ and BC mass over Southern and Northern/Central Baikal, respectively. The highest PM₁₀ and BC are associated to the harbor and touristic areas of intensive shipping and residential biomass burning. Deposition estimates applied to aerosol data exhibit the pollution fluxes to water surface over the whole Baikal area. AAE marks the impact of coal combustion, residential biomass burning, and wildfires indicating the high pollution level of the Lake Baikal ecological system .     

The role of the cadmium-binding protein response of the digestive gland of the Yesso scallop Mizuhopecten yessoensis (Jay, 1857) for marine environmental assessments

Environmental Science and Pollution Research - The ability of Pectinidae to accumulate heavy metals and store them in their tissues allows the use of scallops for biomonitoring marine pollution....     

The influence of application of biochar and metal-tolerant bacteria in polluted soil on morpho-physiological and anatomical parameters of spring barley

Environmental Geochemistry and Health - The paper presents the results of the model experiment on spring barley (Hordeum vulgare L.) grown in polluted soil. The influence of separate and combined...     

Photodegradation of the herbicide goal

Photodegradation products of the herbicide Goal active ingredient were obtained with a xenon lamp and analyzed using direct inlet mass spectrometry, MS/MS and GC/MS. A number of products were identified and their generation pathways were established to be mainly Ar—O bond cleavage, dechlorination and photocyclisation. The latter process gives chlorinated and unchlorinated dibenzofurans some of which may be toxic.     

A compilation of field surveys on gaseous elemental mercury (GEM) from contrasting environmental settings in Europe,South America,South Africa and China: separating fads from facts

Mercury is transported globally in the atmosphere mostly in gaseous elemental form (GEM, \( {\text{Hg}}_{\text{gas}}^{0} \) ), but still few worldwide studies taking into account different and contrasted environmental settings are available in a single publication. This work presents and discusses data from Argentina, Bolivia, Bosnia and Herzegovina, Brazil, Chile, China, Croatia, Finland, Italy, Russia, South Africa, Spain, Slovenia and Venezuela. We classified the information in four groups: (1) mining districts where this contaminant poses or has posed a risk for human populations and/or ecosystems; (2) cities, where the concentration of atmospheric mercury could be higher than normal due to the burning of fossil fuels and industrial activities; (3) areas with natural emissions from volcanoes; and (4) pristine areas where no anthropogenic influence was apparent. All the surveys were performed using portable LUMEX RA-915 series atomic absorption spectrometers. The results for cities fall within a low GEM concentration range that rarely exceeds 30 ng m^?3, that is, 6.6 times lower than the restrictive ATSDR threshold (200 ng m^?3) for chronic exposure to this pollutant. We also observed this behavior in the former mercury mining districts, where few data were above 200 ng m^?3. We noted that high concentrations of GEM are localized phenomena that fade away in short distances. However, this does not imply that they do not pose a risk for those working in close proximity to the source. This is the case of the artisanal gold miners that heat the Au–Hg amalgam to vaporize mercury. In this respect, while GEM can be truly regarded as a hazard, because of possible physical–chemical transformations into other species, it is only under these localized conditions, implying exposure to high GEM concentrations, which it becomes a direct risk for humans.     

DELIVERY OF SUSPENDED SEDIMENT AND POLLUTANTS FROM NONPOINT SOURCES DURING OVERLAND FLOW1

ABSTRACT: Delivery of sediment and particulate pollutants from diffuse sources is shown to be related to the loss of sediment carrying energy of runoff during the overland flow phase. The loss is caused by the termination of rainfall and by reduction of flow energy during the recession phase of the overland flow hydrograph. It has been demonstrated both by theoretical analyses and experimental measurements that the saturated sediment concentration in overland flow is a function of rainfall erosivity and the runoff flow rate. The hypotheses were verified by field measurements from a small homogeneous watershed.     

UN/ECE ICP Materials Dose-response Functions for the Multi-pollutant Situation

A “multi-pollutant exposure programme” reflecting the new pollution situation where SO₂ is no longer the dominating pollutant has been performed by the International Co-operative Programme on Effects on Materials, including Historic and Cultural Monuments (ICP Materials) within the activities of the Convention on Long-range Transboundary Air Pollution. The main results obtained in the period 1997–2003 are summarised. Dose-response functions are presented for carbon steel, zinc, copper, bronze and limestone. Parameters involved in the functions include besides SO₂ and pH, which were included in the previously developed functions from ICP Materials, also the effect of particulate matter and HNO₃.     

Modelling of long-term behaviour of caesium and strontium radionuclides in the Arctic environment and human exposure

In this paper a compartment model of the highly vulnerable Arctic terrestrial food chain "lichen-reindeer-man" is outlined. Based upon an analysis of measured (137)Cs and (90)Sr contents in lichen and reindeer meat from 1961 up to 2001, site specific model parameters for two regions in north-western Arctic Russia and for Kautokeino municipality in Arctic Norway have been determined. The dynamics of radionuclide activity concentrations in the "lichen-reindeer-man" food chain for all areas was satisfactorily described by a double exponential function with short-term and long-term effective ecological half-lives between 1-2 and 10-12 years, respectively, for both (137)Cs and (90)Sr. Using parameter values derived from the model, life-time internal effective doses due to consumption of reindeer meat by reindeer-breeders after an assumed single pulse deposit of 1 kBq m(-2) of (137)Cs were estimated to be 11.4 mSv (Kola Peninsula), 5 mSv (Nenets Autonomous Area), and 2 mSv (Kautokeino, Norway). Differences in vulnerability to radiocaesium deposition were due to differences in transfer between lichen and reindeer and in diet between the three regions.