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Due to the large number of nuclear power plants around the globe and the growing threat of radioactive accidents, a complex assessment of the biological consequences of the Chornobyl disaster is a relevant issue. Study of mutagenic activity of prolonged and chronic action of radionuclide pollution of soil in the Chornobyl Exclusion Zone long after the accident will allow us to identify the current level of threat they pose to the human genome and can reveal specific cytogenic markers of radionuclide environmental pollution. For this purpose, we germinated seeds of wheat of soft winter varieties Smuhlianka and Bohdana in soil samples from the Chornobyl Exclusion Zone 35 years after the disaster. Specific activity of Cs-137 and Sr-90 accounted for 4.5–28.2 kBq/kg. To determine the frequency and range of chromosomal aberrations, we used the anaphase-telophase method. In aberrant cells, we studied extracellular distribution of chromosomal disorders. The frequency of aberrant cells was 3.53–7.55 times above the spontaneous level. High mutagenic activity remained in the conditions of the lowest density of radionuclide pollution of soil. The range of chromosomal disorders mostly included paired fragments and bridges and containd chromosomal acentric rings, binding of chromosomes, myocardium, and lagging and leading chromosomes. Radionuclide pollution in the Chornobyl Exclusion Zone induced multiple cellular aberrations in the rhizome meristem, the share of which was the highest in case of low specific radionuclide pollution of soil, and exhibited a tendency towards decrease against the background of the highest density of radionuclides. Pollution of the environment with radionuclides as a result of disasters at nuclear energy objects poses a threat to the human genome and is a global problem, requiring state support to solve through systematic genetic monitoring in readionuclide-polluted territories and areas adjacent to them.

Due to the large number of nuclear power plants around the globe and the growing threat of radioactive accidents, a complex assessment of the biological consequences of the Chornobyl disaster is a relevant issue. Study of mutagenic activity of prolonged and chronic action of radionuclide pollution of soil in the Chornobyl Exclusion Zone long after the accident will allow us to identify the current level of threat they pose to the human genome and can reveal specific cytogenic markers of radionuclide environmental pollution. For this purpose, we germinated seeds of wheat of soft winter varieties Smuhlianka and Bohdana in soil samples from the Chornobyl Exclusion Zone 35 years after the disaster. Specific activity of Cs-137 and Sr-90 accounted for 4.5- 28.2 kBq/kg. To determine the frequency and range of chromosomal aberrations, we used the anaphase-telophase method. In aberrant cells, we studied extracellular distribution of chromosomal disorders. The frequency of aberrant cells was 3.53-7.55 times above the spontaneous level. High mutagenic activity remained in the conditions of the lowest density of radionuclide pollution of soil. The range of chromosomal disorders mostly included paired fragments and bridges and containd chromosomal acentric rings, binding of chromosomes, myocardium, and lagging and leading chromosomes. Radionuclide pollution in the Chornobyl Exclusion Zone induced multiple cellular aberrations in the rhizome meristem, the share of which was the highest in case of low specific radionuclide pollution of soil, and exhibited a tendency towards decrease against the background of the highest density of radionuclides. Pollution of the environment with radionuclides as a result of disasters at nuclear energy objects poses a threat to the human genome and is a global problem, requiring state support to solve through systematic genetic monitoring in readionuclide-polluted territories and areas adjacent to them. [ABSTRACT FROM AUTHOR]

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Sunscreen lotion is a sort of product that protects against the sun's harmful rays by containing ultraviolet radiation (UV rays), which is divided into two types: ultraviolet radiation A (UVA) and ultraviolet radiation B (UVB). The incorporation of herbal materials into sunscreen is one of the most effective and natural ways to protect against the sun, as measured by the sun protection factor (SPF), as well as the detrimental side effects of toxic chemicals. The present study aimed to develop herbal sunscreens containing turmeric (strong antiseptic property which protects skin from bacteria caused by excess sweat), coconut oil (used as a sun-block agent and helps to protect skin from sun damage), aloe vera (give a cooling effect to the skin and work as skin barrier), lemon (used to protect skin for sunburn) which will be effective for skin and protect skin against harmful sun rays, sunburn, and skin cancer. Prepared herbal sunscreens were evaluated for physicochemical characteristics, SPF, thermal stability, antioxidant activity, in vitro mutagenicity, and stability. Results showed that the F5 and F6 herbal sunscreens were of good consistency and viscosity with excellent antioxidant, non-mutagenic, nonirritant, stability activity and possessed 33.50 SPF for normal skin. In comparison to F1 through F4, formulations with a coconut oil base and carrot seed extract (F5 and F6) were shown to be stable and effective, with a high SPF. [ABSTRACT FROM AUTHOR]

The development of environmentally friendly multifunctional additives is an urgent area of modern organic chemistry. In this work, some derivatives of waterborne polyurethanes as efficient dual-purpose gas hydrate and corrosion inhibitors were studied for their allergenic and mutagenic activity in vivo. Studies of the allergenic effect of polyurethane samples on guinea pigs, rats, and rabbits indicated that these compounds do not have a negative effect on the organism of laboratory animals and do not pose a mutagenic hazard at concentration of 1 wt%. However, these polymers had an allergenic effect on the tissues of laboratory animals in the area of their application at a concentration of 10 wt%. The results of this study provide reasonable evidence for application of waterborne polyurethanes as safe additives for humans and the environment at their optimum concentration (1 wt%) for inhibiting the formation of gas hydrates and corrosion in the oil and gas industry. [ABSTRACT FROM AUTHOR]

Commuters are exposed to high air pollution levels daily, especially in areas with dense traffic. This study examines the commuter's exposure to polycyclic aromatic hydrocarbons (PAHs) in the city of Thessaloniki, Greece, under three different commuting modes: biking, travelling by private car, and riding public transportation means (buses). The study was carried out from 2015 to 2018 including 43 volunteers (15 cyclists, 17 car drivers/passengers, and 11 bus passengers). The personal exposure concentrations to particles smaller than 4-μm aerodynamic diameter (PM4), constituting the respirable fraction of total airborne particles, and the associated PAHs were assessed for each commuting mode during the cold and the warm period of the year. Whereas the exposure of bus and car passengers to in-cabin PM4 were higher in the cold season, the exposure of cyclists exhibited the opposite seasonality. In all commuting modes, exposure to PAHs was higher in the cold season. In both seasons, exposure concentration followed the order: cyclists > bus passengers > car passengers. The carcinogenic and mutagenic potencies of the exposure PAH concentrations were calculated using Benzo[a]pyrene (BaP) carcinogenic and mutagenic equivalency factors. The inhalation cancer risk (ICR) associated to PAHs was further estimated and compared between the different commuting modes. Our data can provide relevant information for transport decision-making and increase environmental awareness for a more rational approach to urban travelling. [ABSTRACT FROM AUTHOR]

Few information on the biological properties of the chemical constituents of propolis produced by Apis mellifera from the Cerrado of Midwest Brazil has hitherto been reported. In the present work, the mutagenic properties of five compounds isolated from a sample of brown propolis from the aforesaid biome, namely, caffeic (1), p-coumaric (2), dihydro-p-coumaric (3), and acetylisocupressic (4) acids, and aromadendrin (5) have been assessed by performing the somatic mutation and recombination test (SMART) on wing cells of Drosophila melanogaster, using standard (ST) and high bioactivation (HB) crosses. This is the first report of assessment of the mutagenic potential of 2-4, and using the SMART assay for 5. No mutagenicity was induced by 1-3 and 5 in the descendants from the ST and HB crosses at all evaluated concentrations. However, 1 and 2, unlike 3, were shown to be toxic to descendants of both ST and HB crosses. A structure-activity relationship established among 1-3 revealed that a C-7/C-8 unsaturation is responsible for the toxic effect of 2 compared to 3, while an additional ortho-dihydroxy substitution at C-3 and C-4 confers to 1 the highest toxicity to D. melanogaster flies. Diterpene 4 proved mutagenic only after P450 activation, suggesting that it may act as a promutagen compound. DOI: http://dx.doi.org/10.17807/orbital.v11i5.1418

Yacon is an Andean plant that has been used in folk medicine for its medicinal properties. The beneficial effects of this plant are possibly due to the high content of phenolic compounds present in its leaves and roots. This study evaluated the in vitro toxicity of the hydroalcoholic extract of leaves and roots from yacon (1, 10, 50, and 100 μg/mL) through cell viability tests, genotoxic and mutagenic activity in leukocytes culture cells; and cytotoxicity and apoptosis cell death (1, 10, 50, 100, and 500 μg/mL) in cell line originally established from the primary mouse embryonic fibroblast cells that were cultured by the designated protocol, so-called 3T3 protocol "3-day transfer, inoculum 3 × 105 cells" (3T3 cell line). No mutagenic and cytotoxic activities were observed in leukocyte cultures. Cytotoxic activity was evidenced in the highest concentrations of yacon leaf extract (50 and 100 μg/mL), whereas all concentrations tested with yacon leaf extract there was induction for apoptosis in the 3T3 cells. Genotoxic potential was observed only at higher doses of leaf (50 and 100 μg/mL) and root (100 μg/mL) extract. These results suggest that yacon leaf at high concentrations may present toxic potential showing concentration-dependent behavior; however, in vivo studies should be performed to validate these results. [ABSTRACT FROM AUTHOR]

Hydro-distilled essential oil from leaves of Xylopia laevigata was characterized by GC-MS. Twenty-seven components were identified and the oil's major constituents comprised germacrene D, bicyclogermacrene, (E)-caryophyllene and germacrene B. The cytotoxicity of the essential oil of X. laevigata (EOXL), determined by MTT and mitotic index methods in cultured human lymphocytes was observed in all tested concentrations. Cultures treated with EOXL demonstrated significant increase in the frequencies of micronuclei in the cytokinesis-block micronucleus assay (CBMN) and reduction of the cytokinesis-block proliferation index (CBPI) rates. Results demonstrated the cytostatic and mutagenic effects of EOXL, the latter for the first time. [ABSTRACT FROM AUTHOR]

Foodborne pathogens, microbial recurrent infections, and antibiotic resistance have driven researchers to explore natural compounds as safe alternative antimicrobials. In this study, the chemical profile, antimicrobial, and mutagenic activities of the Elletaria cardamomum essential oil were investigated. GC-MS analysis identified the major bioactive components as α-terpinyl acetate, 1,8-cineole, linalool acetate, and sabinene, at concentrations of 34.95, 25.30, 8.13, and 5.48% respectively, of the essential oil's content. Regarding antimicrobial activity, the minimum inhibitory concentration of green cardamom essential oil was 1% against Escherichia coli O157:H7 and Pseudomonas aeruginosa ATCC 14213. Green cardamom essential oil, when used at concentrations of 0.015, 0.031, 0.062, and 0.125% (v/v) prevented biofilm formation of Escherichia coli O157:H7 by 64.29, 65.98, 70.41, and 85.59%, respectively. Furthermore, these concentrations inhibited 6.13, 45.50, 49.45, and 100%, respectively, of the Salmonella Typhimurium JSG 1748 biofilm. A mutagenicity assay confirmed that green cardamom essential oil has no demonstrable mutagenic activity against the tested strains. The study's findings suggest that green cardamom derived bioactive compounds are safe organic antimicrobials, effective in controlling biofilm formation by Gram-negative pathogens. Moreover, such compounds could possibly be used in the food industry (e.g., bakery, dairy, meat, and other food products) as a safe alternative to chemical preservatives (antimicrobials) to enhance shelf life by improving the antimicrobial status while at the same time imparting a pleasant and appealing aroma for consumers. [ABSTRACT FROM AUTHOR]

Abstract Background The harmful effects of fine particles with an aerodynamic diameter less than 2.5 μm (PM2.5) on respiratory organs are emphasized in pollution studies because PM2.5 have high deposition rates in the respiratory organs and contain various hazardous compounds. In this study, a sampling method combining a high-volume air sampler (HV) with a PM2.5 impactor was developed for collecting large quantities of PM2.5. The concentrations of elemental carbon (EC), organic carbon (OC), inorganic ions, and polycyclic aromatic hydrocarbons (PAHs) were measured in PM2.5 collected by the high-and low-volume air samplers (LV). Results Similar results were obtained from the HV and LV methods, with respect to inorganic carbon, organic carbon, sodium ions, ammonium ions, and PAHs with more than four rings. Because of the much larger amount of PM2.5 could be collected by the HV method, the trace constituents, that were difficult to detect by the conventional LV method, were readily detected by the HV method. Furthermore, when the microsuspension method that was modified more sensitive Ames mutagenicity test, was used to test the PM2.5 samples at four sites, mutagenic activities were detected by strains TA100 and TA98. Most of the mutagenic activity was associated with the PM2.5 fraction and mutagenic activity in winter was greater than that in summer. Conclusions The HV method produced results similar to those from the conventional LV method with respect to the PM2.5 components present in the atmosphere in relatively high concentrations, but its 40-fold greater flow rate enabled the detection of mutagenic compounds present in only trace concentrations.

Thirty years after the accident, the alienation zone of Chornobyl NPP continues to be an open source of radionuclide spread which is carried with superficial and soil waters into river systems and moves beyond the area. The study of mutagenic activity of radionuclide contamination of the water reservoirs in the near zone of Chornobyl NNP will make it possible to predict genetic consequences of their effect in the years after the accident. The purpose of this research is to study frequency and spectrum of chromosome aberrations in root meristem cells of Triticum aestivum L. under the prolonged effect of radionuclide contamination of water and bottom deposits of the water reservoirs in the near alienation zone of Chornobyl NPP. Seeds of winter wheat varieties Al’batros odes’kyi and Zymoiarka were sprouted in the conditions of the effect of water radionuclide contamination of the Prypiat River, Brahinka River, a reservoir-cooler of ChNPP, Semyhodskyi backwater, drainage-way 3 of ChNPP, Lakes Hlyboke and Azbuchyn (total specific activity of 137Cs and 90Sr – 0.17–52.99 Bq/м3) and bottom deposits of the left and right banks of Prypiat canal, a reservoir-cooler of ChNPP, drainage-ways 1–3 of ChNPP (total specific activity of 137Cs and 90Sr – 16.0–45.0 Bq/kg). Frequency and spectrum of cytogenetic disorders were identified in the cells of root meristem sprouts with help of the ana-telophase method. Under the influence of radiation on water and bottom deposits of the water reservoirs in the alienation zone of ChNPP, a 1.6–4.2 times increase in the frequency of chromosome aberrations and mitosis disorders was found. The highest levels of cytogenetic activity were shown by water radionuclide contamination in a reservoir-cooler of ChNPP, Semyhodskyi backwater and bottom deposits of drainage-way 2. The correlation between frequency of chromosome aberrations and specific value of radionuclide activity of water reservoirs has not been recorded, which can prove the induction of cytogenetic disorders resulting from the radiation in the low-rate range. The spectrum of cytogenetic disorder types is mostly represented by acentric fragments, bridges and lagging chromosomes. The induction of the cells with lagging chromosomes, which exhibit the highest levels (0.24–0.38%), under the effect of radionuclide contamination of water in Hlyboke Lake, the Brahinka River, the Prypiat River, a reservoir-cooler of ChNPP and bottom deposits of drainage-way 3, allows one to assume the availability of aneugenic factors in the water reservoirs in the alienation zone of ChNPP. The water entities of the alienation zone of ChNPP, the level of radionuclide contamination of which is characterized by a high cytogenetic activity, induce cells with complex chromosome rearrangements of high frequency. Despite the decrease in chromosome aberration frequency effected by the water of the Prypiat River near Chornobyl city, the Brahinka River and bottom deposits of the right bank of Prypiat canal, the increased level of aneugenic cells and the induction of multiple chromosome rearrangements confirm the persistence of mutagenic activity in the abovementioned contaminated water entities.

Background: Phyllanthus amarus is a medicinal plant used in the treatment of various ailments which include gonorrhoea, jaundice, diabetes, kidney diseases, bladder and intestinal infections, influenza, measles, viral infections, and tuberculosis. Tuberculosis treatment is faced with many challenges, resulting in a prolonged treatment regimen and potential treatment failure. There is a need to search for more favourable treatment options. Objective: This study aimed at investigating the pharmacognostic and mycobactericidal properties of P. amarus. Since toxicity could also be an issue, the mutagenic activity of this plant was also assessed. Materials and Methods: The macroscopic, microscopic, and physicochemical characteristics were assessed with reference to the Quality Control Methods for Herbal Material WHO (2011). The mycobactericidal activity was determined by the agar diffusion and broth dilution methods, while mutagenicity was investigated by the Ames test. Results: P. amarus contained tannins, flavonoids, glycosides, saponins and steroids. The 50% ethanol extract exhibited activity against M. smegmatis at 100 mg/mL with an inhibitory zone of 2.0 cm. P. amarus had a minimum inhibitory concentration of 50 mg/mL while that of rifampin was 0.1 µg/mL. P. amarus showed weak mutagenicity at a concentration of 10 µg/mL. Conclusion: The documented pharmacognostic characteristics can be used for quality control of the crude plant material. The mycobactericidal activity also affirmed its folkloric use in the treatment of tuberculosis. The mycobactericidal activity can be further exploited for drug development. [ABSTRACT FROM AUTHOR]

Abstract Background Sutherlandia frutescens (L.) R. Br is endemic to Southern Africa where it has been traditionally used for cancer and diabetes. In recent times it has been marketed for its reputed (but not proven) anticancer, antidiabetic and anti-HIV properties. Little is known about the mutagenic and antimutagenic potential of extracts and common marker compounds of Sutherlandia frutescens. Therefore this study aimed to investigate the putative efficacy and possible long-term adverse effects of using this herb. Methods Ethylacetate (EA) and 50% Methanol (MeOH) extracts were screened for mutagenic and antimutagenic activity using the Ames assay utilising TA97a, TA98, TA100 and TA102 in the presence and absence of metabolic activation. Four compounds, L-arginine, L-canavanine, GABA and D-pinitol known to occur in sutherlandia were also included. The total polyphenolic content of the both extracts was determined using the Folin-Ciocalteau method and FRAP and ABTS were used to determine the anti-oxidant potential of the extracts. Results The extracts and the standards did not show any cytotoxicity except in TA97a. The EA extract exhibited antimutagenicity against all the bacterial strains at all concentrations tested. The MeOH extract showed both pro-mutagenic and antimutagenic activities with 2-acetamidofluorene and aflatoxin B1 in the presence of metabolic activation of TA98 and TA100, respectively. All compounds, except L-canavanine exhibited antimutagenic activity against all strains. L-canavanine, on the other hand showed co-mutagenicity with 9-aminoacridine on TA97a, at all test concentrations. The extracts and pure compounds exhibited their antimutagenic activity in a dose response manner. L-arginine and GABA showed an some antimutagenic response. EA extract had three times the total phenolic content (12.56 μg GE / mg) observed in the MeOH extract. There was correlation between total phenolic content, antioxidant potential and antimutagenicity. Conclusion Both extracts exhibited a protective effect, with the EA extract exhibiting greater potency. L-canavanine acted as a co-mutagen in a dose response manner without metabolic activation. It is suggested that the EA extract be priotized for future development work as it showed a better risk profile and activity.

The economy of the Limansky district is based on the use of natural capital, and its preservation is of paramount importance for the region. Ecological-genetic-economic studies demonstrate the need for adequate economic accounting of natural capital and the environmental factor in economic decisions related to the development of the territory and transport infrastructure of the region. [ABSTRACT FROM AUTHOR]

Few information on the biological properties of the chemical constituents of propolis produced by Apis mellifera from the Cerrado of Midwest Brazil has hitherto been reported. In the present work, the mutagenic properties of five compounds isolated from a sample of brown propolis from the aforesaid biome, namely, caffeic (1), p-coumaric (2), dihydro-p-coumaric (3), and acetylisocupressic (4) acids, and aromadendrin (5) have been assessed by performing the somatic mutation and recombination test (SMART) on wing cells of Drosophila melanogaster, using standard (ST) and high bioactivation (HB) crosses. This is the first report of assessment of the mutagenic potential of 2-4, and using the SMART assay for 5. No mutagenicity was induced by 1-3 and 5 in the descendants from the ST and HB crosses at all evaluated concentrations. However, 1 and 2, unlike 3, were shown to be toxic to descendants of both ST and HB crosses. A structure-activity relationship established among 1-3 revealed that a C-7/C-8 unsaturation is responsible for the toxic effect of 2 compared to 3, while an additional ortho-dihydroxy substitution at C-3 and C-4 confers to 1 the highest toxicity to D. melanogaster flies. Diterpene 4 proved mutagenic only after P450 activation, suggesting that it may act as a promutagen compound. [ABSTRACT FROM AUTHOR]

Purpose: A series of benzylidene-2-(4-bromophenoxy)-2-methyl propane hydrazides (1-10) were synthesized and assay them for their biofilm inhibition, antioxidant and mutagenic. Methods: All derivatives were prepared by condensation of various substituted benzaldehyde and acetophenones with 2-(4-bromorophenoxy)-2-methyl propane hydrazide, which was itself prepared by hydrazinolysis of ethyl-2-(4-bromophenoxy)-2-methyl propanoate and were characterized by FTIR, ¹H NMR 13C NMR, mass spectrometry. They were screened for their in-vitro anti-oxidant, biofilm inhibition and mutagenicity by established methods. Results: Anti-oxidant results revealed that the electron donating group enhanced the scavenging ability of the compounds as seen in compounds 4b, 4h and 4i. In biofilm inhibition studies, all compounds were more active against Gram-ive bacterial strain when compared to gram +ive strain. The mutagenicity assay results indicate that the compound having chloro group substitution is mutagenic. Conclusion: The benzylidine compounds of 2-(4-bromophenoxy)-2-methyl hydrazide possessing electron donating substituents exhibit superior activities to the electron withdrawing group substituents. [ABSTRACT FROM AUTHOR]

Mass accumulation of toxic waste near inhabited localities has changed some regions of Ukraine, in particular Kalush industrial area (Ivano-Frankivsk region), into zones of ecological disaster. Research on cytogenetic anomalies caused by chemical soil contamination of the territories of toxic chemical warehouses will be useful in determining the level of mutagenic activity of xenobiotics when they enterthe environment and potential mechanisms of the induction of chromosome reconstructions by them and mitosis disorders. The aim of the research is to study frequency and spectrum of the types of cytogenetic disorders in T. aestivum L. under the prolonged effect on the seeds of soil contaminated with hexachlorinebenzene from territories of toxic waste warehousing and to determine the level of their mutagenic activity as compared with the effect of moderate and high concentrations of N-nitrozo-Nmethylurea (NMU). Seeds of winter wheat cultivars Al'batros odes'kyi and Zymoiarka were sprouted in the soil samples taken from the toxic waste ground of LLC "Oriana Halev", its recultivated area and the dump area of Dombrovskyi potash ore mine, situated near Kalush city. Hexachlorobenzene concentrations in the soil of the studied areas exceeded CPC by 1233-18350 times. Soil samples from a tentatively clean area of Svatky village, Hadiach district, Poltava region were taken as the control. To study cytogenetic consequences of the effect of moderate and high concentrations of NMU, wheat seeds were kept in a mutagen water solution at concentrations 0.005%, 0.010%, 0.025%. Frequency and spectrum of cytogenetic anomalies were determined in the cells of sprout root meristem using the anatelophase technique. Chemical contamination of the soil exhibited high mutagenic activity which, by induction frequency of cytogenetic anomalies, exceeded the control level by 1.8-3.8 times and equalled mutagenic activity of NMU in moderate concentrations. The highest level of cytogenetic disorders, which exceeded spontaneous indicators by 3.4-3.8 times, was found when the soil contamination of the territory of the toxic waste ground with hexachlorobenzene was the most intensive. Traces of hexachlorobenzene in the soil of the recultivated plot of the ground continue to manifest high cytogenetic activity and pose a threat for the genomes of living organisms. Frequency of chromosome aberrations at a low hexachlorobenzene concentration in the soil of the disposal area of Dombrovskyi mine exceeded spontaneous indicators by 1.8-2.4 times, which is the result of its complex effect with natural-mineral compounds of mining-chemical raw materials. The increase of some bridges and acentric chromosome rings -markers of a radiation effect -among the types of cytogenetic disorders, induced by the soil contamination with hexachlorobenzene, confirms the radiometric properties of the xenobiotic, which were identified at high concentrations of NMU. The increase in the number of the cells with multiple aberrations, induced by the hexachlorobenzene contamination of the soil holding the studied objects proves the high genotoxicity of the chemical compound and the threat of serious genetic consequences if it enters the environment. [ABSTRACT FROM AUTHOR]

Thirty years after the accident, the alienation zone of Chornobyl NPP continues to be an open source of radionuclide spread which is carried with superficial and soil waters into river systems and moves beyond the area. The study of mutagenic activity of radionuclide contamination of the water reservoirs in the near zone of Chornobyl NNP will make it possible to predict genetic consequences of their effect in the years after the accident. The purpose of this research is to study frequency and spectrum of chromosome aberrations in root meristem cells of Triticum aestivum L. under the prolonged effect of radionuclide contamination of water and bottom deposits of the water reservoirs in the near alienation zone of Chornobyl NPP. Seeds of winter wheat varieties Al’batros odes’kyi and Zymoiarka were sprouted in the conditions of the effect of water radionuclide contamination of the Prypiat River, Brahinka River, a reservoir-cooler of ChNPP, Semyhodskyi backwater, drainage-way 3 of ChNPP, Lakes Hlyboke and Azbuchyn (total specific activity of 137Cs and 90Sr – 0.17–52.99 Bq/м³) and bottom deposits of the left and right banks of Prypiat canal, a reservoir-cooler of ChNPP, drainage-ways 1–3 of ChNPP (total specific activity of 137Cs and 90Sr – 16.0–45.0 Bq/kg). Frequency and spectrum of cytogenetic disorders were identified in the cells of root meristem sprouts with help of the ana-telophase method. Under the influence of radiation on water and bottom deposits of the water reservoirs in the alienation zone of ChNPP, a 1.6–4.2 times increase in the frequency of chromosome aberrations and mitosis disorders was found. The highest levels of cytogenetic activity were shown by water radionuclide contamination in a reservoir-cooler of ChNPP, Semyhodskyi backwater and bottom deposits of drainage-way 2. The correlation between frequency of chromosome aberrations and specific value of radionuclide activity of water reservoirs has not been recorded, which can prove the induction of cytogenetic disorders resulting from the radiation in the low-rate range. The spectrum of cytogenetic disorder types is mostly represented by acentric fragments, bridges and lagging chromosomes. The induction of the cells with lagging chromosomes, which exhibit the highest levels (0.24–0.38%), under the effect of radionuclide contamination of water in Hlyboke Lake, the Brahinka River, the Prypiat River, a reservoir-cooler of ChNPP and bottom deposits of drainage-way 3, allows one to assume the availability of aneugenic factors in the water reservoirs in the alienation zone of ChNPP. The water entities of the alienation zone of ChNPP, the level of radionuclide contamination of which is characterized by a high cytogenetic activity, induce cells with complex chromosome rearrangements of high frequency. Despite the decrease in chromosome aberration frequency effected by the water of the Prypiat River near Chornobyl city, the Brahinka River and bottom deposits of the right bank of Prypiat canal, the increased level of aneugenic cells and the induction of multiple chromosome rearrangements confirm the persistence of mutagenic activity in the abovementioned contaminated water entities. [ABSTRACT FROM AUTHOR]

We propose an improved earlier described “mirror” method for detecting in cell nuclear extracts mutations that arise in DNA during its replication due to the misincorporation of deoxyadenosine-5′-monophosphate (dAMP) opposite 7,8-dihydro-8-oxoguanine (8-oxoG). This method is based on the synthesis of a complementary chain (“mirror”) by nuclear extracts of different mice organs on a template containing 8-oxoG and dideoxycytidine residue (ddC) at the 3′‑end. The “mirror” was amplified by PCR using primers part of which was non-complementary to the template. It allowed obtaining the “framed mirror” products. The misincorporation of dAMP in “framed mirror” products forms an EcoRI restriction site. The restriction analysis of double-stranded “framed mirror” products allows a quantification of the mutation frequency in nuclear extracts. The data obtained show that the mutagenic potential of 8-oxoG markedly varied in different organs of adult mice and embryos.

Caesalpinia ferrea Martius has traditionally been used in Brazil for many medicinal purposes, such as the treatment of bronchitis, diabetes and wounds. Despite its use as a medicinal plant, there is still no data regarding the genotoxic effect of the stem bark. This present work aims to assess the qualitative and quantitative profiles of the ethanolic extract from the stem bark of C. ferrea and to evaluate its mutagenic activity, using a Salmonella/microsome assay for this species. As a result, a total of twenty compounds were identified by Flow Injection Analysis Electrospray Ionization Ion Trap Mass Spectrometry (FIA-ESI-IT-MS/MSn) in the ethanolic extract from the stem bark of C. ferrea. Hydrolyzable tannins predominated, principally gallic acid derivatives. The HPLC-DAD method was developed for rapid quantification of six gallic acid compounds and ellagic acid derivatives. C. ferrea is widely used in Brazil, and the absence of any mutagenic effect in the Salmonella/microsome assay is important for pharmacological purposes and the safe use of this plant.

The safety assessment process of chemicals requires information on their mutagenic potential. The experimental determination of mutagenicity of a large number of chemicals is tedious and time and cost intensive, thus compelling for alternative methods. We have established local and global QSAR models for discriminating low and high mutagenic compounds and predicting their mutagenic activity in a quantitative manner in Salmonella typhimurium (TA) bacterial strains (TA98 and TA100). The decision treeboost (DTB)-based classification QSAR models discriminated among two categories with accuracies of >96% and the regression QSAR models precisely predicted the mutagenic activity of diverse chemicals yielding high correlations ( R ) between the experimental and model-predicted values in the respective training (>0.96) and test (>0.94) sets. The test set root mean squared error (RMSE) and mean absolute error (MAE) values emphasized the usefulness of the developed models for predicting new compounds. Relevant structural features of diverse chemicals that were responsible and influence the mutagenic activity were identified. The applicability domains of the developed models were defined. The developed models can be used as tools for screening new chemicals for their mutagenicity assessment for regulatory purpose. [ABSTRACT FROM AUTHOR]

The present article describes the synthesis and biological studies in vitro of a novel silver complex with furosemide (Ag-FSE). Elemental, thermal and mass spectrometric analysis indicated a 1:1 metal/ligand composition, with the molecular formula AgC 12 H 10 ClN 2 O 5 S. Infrared and nuclear magnetic resonance studies suggest coordination of the ligand to the silver ion by the oxygen atoms of the carboxylate group. Additional Density Functional Theory (DFT) studies led to the proposition of the structure of the Ag-FSE complex. The antibacterial activities of the complex were primarily evaluated by antibiogram assays using the disc diffusion method and minimum inhibitory concentrations (MIC). Moreover, the mutagenicity of the complex was also evaluated to ensure that it is safe for subsequent application. The Ag-FSE complex has shown a significant in vitro antibacterial activity against Gram-positive Staphylococcus aureus (ATCC 25923), Gram negative Escherichia coli (ATCC 25922) and Pseudomonas aeruginosa (ATCC 27853), and yeast Candida albicans (ATCC 90028). The absence of a mutagenic activity of Ag-FSE against Salmonella Typhimurium bacterial strains in the Ames assay is an extremely important finding for its future use as a drug in medicine. [ABSTRACT FROM AUTHOR]

Organic extracts of sediments from Skadar Lake (National park and protected RAMSAR site) were investigated for their mutagenic potential using Salmonella typhimurium TA98 and TA100 strains in the presence and absence of metabolic activation. Five different concentrations of sediment extracts from five different sampling sites were assayed, and mutagenic results were obtained for both strains. These studies present a part of the EULIMNOS project and included a battery of bioassay testing and in situ investigations of microbial community structures of Skadar Lake sediments. The obtained results show mutagenic risk potential in five collected samples in the absence and presence of metabolic activation. Additional studies are required in order to identify and quantify the chemical compounds responsible for the mutagenic activity present in Skadar Lake sediments.

Deeper knowledge of the potentiality of aromatic plants can provide results of economic importance for food and pharmacological industry. The essential oils of seven Lamiaceae species were analyzed by gas chromatography-mass spectrometry and assayed for their antibacterial, antifungal and mutagenic activities. Monoterpenes in the oils ranged between 82.47% (hyssop oil) and 97.48% (thyme oil), being mainly represented by oxygenated compounds. The antibacterial activity was evaluated against six pathogenic and five non-pathogenic bacterial strains. Oregano and thyme oils showed the strongest antibacterial activity against the pathogenic ones. The antifungal activity was evaluated against six fungal strains of agrifood interest: the oils tested exhibited variable degrees of activity. Two Salmonella typhimurium strains were used to assess the possible mutagenic activity. No oil showed mutagenic activity. Data obtained let us hypothesise that the use of essential oils could be a viable and safe way to decrease the utilisation of synthetic food preservatives. Further research is needed to obtain information regarding the practical effectiveness of essential oils to prevent the growth of food borne and spoiling microbes under specific application conditions.

Two new triterpene saponins, camelliagenin A derivatives, were isolated from the leaves of Impatiens parviflora DC. ( Balsaminaceae ). Their structures were determined based on a combination of one- and two-dimensional nuclear magnetic resonance (NMR) techniques, and mass spectrometry, as 3- O -{[β- d -glucopyranosyl-(1 → 3)-]-[β- d -glucopyranosyl-(1 → 2)]}- β- d -glucuronopyranoside 16- O -acetyl-3β,22α,28-trihydroxy-olean-12-ene (named IPS-1) and 3- O -{[β- d -glucopyranosyl-(1 → 3)-]-[β- d -glucopyranosyl-(1 → 2)]}- β- d -glucuronopyranoside 3β,16α,22α,28-tetrahydroxy-olean-12-ene (named IPS-2). This is the first report on saponins in I. parviflora . Also, camelliagenin derivatives have been found in the Balsaminaceae family for the first time. Novel saponin IPS-1 exhibited interesting cytotoxicity profile against human prostate an melanoma cancer cells with highest cytotoxic activity against A375 cell line (IC 50 41.19 μg/mL). Moreover, both isolated saponins were devoid of mutagenic potential against all tested strains. The obtained results allow to suggest that I. parviflora should be considered as a source of new promising bioactive metabolite. [ABSTRACT FROM AUTHOR]

We formulated and analyzed a novel nanoformulation of the anticancer drug cisplatin (Cis) with C fullerene (C+Cis complex) and showed its higher toxicity toward tumor cell lines in vitro when compared to Cis alone. The highest toxicity of the complex was observed in HL-60/adr and HL-60/vinc chemotherapy-resistant human leukemia cell sublines (resistant to Adriamycin and Vinculin, respectively). We discovered that the action of the C+Cis complex is associated with overcoming the drug resistance of the tumor cell lines through observing an increased number of apoptotic cells in the Annexin V/PI assay. Moreover, in vivo assays with Lewis lung carcinoma (LLC) C57BL/6J male mice showed that the C+Cis complex increases tumor growth inhibition, when compared to Cis or C fullerenes alone. Simultaneously, we conducted a molecular docking study and performed an Ames test. Molecular docking specifies the capability of a C fullerene to form van der Waals interactions with potential binding sites on P-glycoprotein (P-gp), multidrug resistance protein 1 (MRP-1), and multidrug resistance protein 2 (MRP-2) molecules. The observed phenomenon revealed a possible mechanism to bypass tumor cell drug resistance by the C+Cis complex. Additionally, the results of the Ames test show that the formation of such a complex diminishes the Cis mutagenic activity and may reduce the probability of secondary neoplasm formation. In conclusion, the C+Cis complex effectively induced tumor cell death in vitro and inhibited tumor growth in vivo, overcoming drug resistance likely by the potential of the C fullerene to interact with P-gp, MRP-1, and MRP-2 molecules. Thus, the C+Cis complex might be a potential novel chemotherapy modification. [ABSTRACT FROM AUTHOR]

In this study we present a theoretical investigation of the molecular properties of nitrodibenzofurans (NDFs) and dinitrodibenzofurans (DNDFs) and their relation to mutagenic activity. Equilibrium geometries, relative energies, vertical ionization potentials (IP), vertical electron activities (EA), electronic dipole polarizabilities, and dipole moments of all NDFs and three DNDFs calculated by Density Functional Theory (DFT) methods are reported. The Ziegler/Rauk Energy Decomposition Analysis (EDA) is employed for a direct estimate of the variations of the orbital interaction and steric repulsion terms corresponding to the nitro group and the oxygen of the central ring of NDFs. The results indicate differences among NDF isomers for the cleavage of the related bonds and steric effects in the active site. The results show a good linear relationship between polarizability ( <α> ), anisotropy of polarizability (Δα ), the summation of IR intensities ( ΣI IR ) and the summation of Raman activities ( ΣA Raman ) over all 3N-6 vibrational modes and experimental mutagenic activities of NDF isomers in Salmonella typhimurium TA98 strain. The polarizability changes with respect to the ν sNO+CN vibrational mode are in correlation with the mutagenic activities of NDFs and suggest that intermolecular interactions are favoured along this coordinate. [ABSTRACT FROM AUTHOR]

Benfuracarb is a carbamate insecticide used to control insect pests in vegetables and it has anti-acetylcholinesterase activity lower than other carbamates. Cytotoxic effects of benfuracarb were evaluated by using root growth inhibition (EC), mitotic index (MI), and mitotic phase determinations on the root meristem cells of Allium cepa and mutagenic effects were determined in Salmonella typhymurium Ames test by TA98 and TA100 strains with and without metabolic activation. In Allium test, 1 % DMSO was used as negative control group and 10 ppm MMS was used as positive control group. 75 ppm concentration of benfuracarb was found as EC. In MI and mitotic phases determination study, 37.5, 75 and 150 ppm doses of benfuracarb were used. Dose-dependent cytotoxic activity was found by root growth inhibition and MI studies. It was identified that mitotic inhibition activity of benfuracarb was higher than 10 ppm MMS. In Ames test, mutagenic activity was not observed and over 200 µg/plate of benfuracarb was determined as cytotoxic to S. typhymurium strains. Benfuracarb can be called as 'mitotic inhibitor' but not called as mutagen. [ABSTRACT FROM AUTHOR]

The authors focused on the amplification of data on the mutagenicity of selected trichothecene mycotoxins (T-2 toxin, vomitoxin) and their combination with aflatoxin B1,which is known to be a strong mutagen. Mutagenic activity was investigated using the Ames test in a prokaryote model at low doses (close to 0.1 LD50). Whereas the individual trichothecene mycotoxins (T-2 toxin, vomitoxin) did not show any mutagenic activity in the test systems mentioned, in combination with AFB1, or as a combination of all three mycotoxins, they showed a mutagenic effect significantly greater than AFB1 alone in the Ames test (in strain TA98 at all concentrations) as well as in the micronucleus test (combination of T-2 toxin with AFB1).

The physico-chemical properties of nitroazaphenanthrene isomers: 4-nitro-9-azaphenanthrene (4-N-9-Aph), 5-nitro-9-azaphenanthrene (5-N-9-Aph), 6-nitro-4-azaphenanthrene (6-N-4-Aph), 8-nitro-1-azaphenanthrene (8-N-1-Aph), and 8-nitro-4-azaphenanthrene (8-N-4-Aph) have been investigated theoretically using Density Functional Theory (DFT) calculations. Equilibrium geometries, relative stability, ionization potentials, electron affinities, molecular electrostatic potentials, dipole moments, electric polarizabilities, and vibrational properties of these isomers are presented. Averaged O–N–C–C dihedral angle, dipole moment, polarizability, the summation of IR intensities ( ∑I IR ) and the summation of Raman activities ( ∑A Raman ) over all 3N-6 vibrational degrees of freedom are sensitive to the structure of isomers. A very good linear relationship between ∑A Raman values ( R = 1.00) and the Salmonella typhimurium strain TA98(−S9) mutagenic activity of the investigated nitroazaphenanthrene isomers (Tokiwa et al., 2003) reveals a very important role of inductive and dispersive forces on the mutagenic pathways of the investigated isomers. [ABSTRACT FROM AUTHOR]

The equilibrium geometries, relative energies, IR and Raman spectra, vertical ionization potentials (IP), vertical electron affinities (EA), dipole moments (μ), electronic dipole polarizabilities (α), and molecular electrostatic potentials (MEP) of two species that show very high mutagenicity, 1-nitro-6-azabenzo[ a ]pyrene N -oxide (1-N-6-ABPO) and 3-nitro-6-azabenzo[ a ]pyrene N -oxide (3-N-6-ABPO), are investigated by means of Density Functional Theory (DFT) using B3LYP functional with different basis sets. The 3-N-6-ABPO isomer was estimated to be much more mutagenic in Salmonella typhimurium tester strain TA98 (396 000 revertants/nmol) than 1-N-6-ABPO (36 100 revertants/nmol) (Fukuhara et al., 1992). The results show that for both isomers the structural, energetic, and vibrational properties are similar. The orientation of the nitro group with respect to the plane of the aromatic system as well as the nitroreduction and oxidation reaction and polarizability seem not be important for the determination of different mutagenic behavior of these isomers. However, the dipole moment of 3-N-6-ABPO is about 3 times that of 1-N-6-ABPO. The larger dipole moment and the different electronic charge distribution of 3-N-6-ABPO compared to 1-N-6-ABPO imply stronger electrostatic and inductive molecular interactions so that the active site of the enzyme involved in the mutagenic activation can more effectively bind 3-N-6-ABPO compared to 1-N-6-ABPO. [ABSTRACT FROM AUTHOR]

Caesalpinia ferrea Martius has traditionally been used in Brazil for many medicinal purposes, such as the treatment of bronchitis, diabetes and wounds. Despite its use as a medicinal plant, there is still no data regarding the genotoxic effect of the stem bark. This present work aims to assess the qualitative and quantitative profiles of the ethanolic extract from the stem bark of C. ferrea and to evaluate its mutagenic activity, using a Salmonella/microsome assay for this species. As a result, a total of twenty compounds were identified by Flow Injection Analysis Electrospray Ionization Ion Trap Mass Spectrometry (FIA-ESI-IT-MS/MSn) in the ethanolic extract from the stem bark of C. ferrea. Hydrolyzable tannins predominated, principally gallic acid derivatives. The HPLC-DAD method was developed for rapid quantification of six gallic acid compounds and ellagic acid derivatives. C. ferrea is widely used in Brazil, and the absence of any mutagenic effect in the Salmonella/microsome assay is important for pharmacological purposes and the safe use of this plant. [ABSTRACT FROM AUTHOR]

Highlights: [•] Electronic properties of mono-nitrated benzanthrones are investigated theoretically. [•] Stability, ionization potentials and electron affinities of isomers are determined. [•] DFT methods are employed for calculation of the IR and Raman spectra of isomers. [•] Vibrational properties important for characterization of isomers are determined. [•] The relationship between vibrational property and mutagenic activity is established. [Copyright &y& Elsevier]

An analysis was carried out of genotoxical and mutagenic properties of bottled drinking water using cells of different test objects. The paper has shown the efficiency of using a complex research for more accurate assessment of water quality. [ABSTRACT FROM AUTHOR]

Abstract: The Amazonian Croton lechleri stem bark essential oil was tested for its anti-mutagenic potential by performing the Ames test against heterocyclic amines (HCAs), in continuing research on applicative functional profile of this phytocomplex as food ingredient (Rossi et al., 2011). Salmonella typhimurium strain TA98 was used with and without metabolic activation (S9 mix). The anti-mutagenic properties was assayed with the following HCAs: 2-amino-3-methylimidazo-[4,5-f]quinoline (IQ), 2-amino-3,4-dimethylimidazo-[4,5-f]quinoline (MeIQ), 2-amino-3,8-dimethylimidazo-[4,5-f]quinoxaline (MeIQx), the imidazoles 2-amino-6-methyldipyrido-[1,2-a:3′,2′-d]imidazole (Glu-P-1) and 2-aminodipirydo-[1,2-a:3′,2′-d]imidazole (Glu-P-2). All HCAs with S9 induced mutagenicity at 10−10 mol/plate. Without S9, IQ and MeIQ showed mutagenicity at 10−8 mol/plate, MeIQx and Glu-P-1 at 10−5 mol/plate, while Glu-P-2 was inactive. In presence of HACs (10−9 mol/plate), C. lechleri essential oil was tested for mutagen-protective properties (concentration range: 0.01–0.10mg/plate) taking the Highest Uneffective Dose (HUD) as threshold reference. With S9 mix, C. lechleri essential oil displayed a significant reduction of revertants at 0.05mg/plate, from 21% to 34%. The essential oil showed mutagen-protective efficacy against IQ and MeIQ tested as direct mutagens (10−7 mol/plate), with a revertants percentage reduction of 39% and 40%, respectively. No anti-mutagen capacity was noted for MeIQx and Glu-P-1 (10−5 mol/plate). Since HACs are known as possible colon and liver cancer inducers, C. lechleri essential oil was tested for its cytotoxicity and anti-proliferative capacity against LoVo and HepG2 cancer cell lines showing IC50 of 74.95±0.05μg/ml (LoVo) and 82.28±0.03μg/ml (HepG2), displaying a promising role of this essential oil as a functional food ingredient with interesting mutagen preventing properties. [Copyright &y& Elsevier]

The ligand N, N-bis(2-ethyl-4-methyl-imidazol-5-ylmethyl)-1-phenylethylamine (biaq) was prepared by Mannich reaction of 2-ethyl-4-methyl-1 H-imidazole, ( R)-1-phenylethylamine and formaldehyde. It was characterized by FTIR and NMR spectroscopy. This ligand reacts with CuCl2 to give a coordination compound with formula [Cu(biaq)Cl2]. In this compound, biaq acts as a tridentate ligand with one tertiary amine and two azole nitrogen atoms coordinated to the central metal atom. The complex was characterized by FTIR spectroscopy, elemental analysis, and X-ray diffraction. The X-ray structure of [Cu(biaq)Cl2] shows a pentacoordinate cooper(II) atom, where two chloride ions and the three nitrogen atoms of the biaq ligand are coordinated in a distorted square pyramidal arrangement. The biological activity of the complex [Cu(biaq)Cl2] was tested using the Gram positive bacterium Bacillus subtilis as a model. Results revealed that the copper complex interfered with bacterial growth, inducing cell death, most probably by altering the primary structure of the chromosome, since a significant increase of the mutation frequency to rifampicin resistance was observed. [ABSTRACT FROM AUTHOR]

The ligand N, N-bis(2-ethyl-4-methyl-imidazol-5-ylmethyl)-1-phenylethylamine (biaq) was prepared by Mannich reaction of 2-ethyl-4-methyl-1 H-imidazole, ( R)-1-phenylethylamine and formaldehyde. It was characterized by FTIR and NMR spectroscopy. This ligand reacts with CuCl2 to give a coordination compound with formula [Cu(biaq)Cl2]. In this compound, biaq acts as a tridentate ligand with one tertiary amine and two azole nitrogen atoms coordinated to the central metal atom. The complex was characterized by FTIR spectroscopy, elemental analysis, and X-ray diffraction. The X-ray structure of [Cu(biaq)Cl2] shows a pentacoordinate cooper(II) atom, where two chloride ions and the three nitrogen atoms of the biaq ligand are coordinated in a distorted square pyramidal arrangement. The biological activity of the complex [Cu(biaq)Cl2] was tested using the Gram positive bacterium Bacillus subtilis as a model. Results revealed that the copper complex interfered with bacterial growth, inducing cell death, most probably by altering the primary structure of the chromosome, since a significant increase of the mutation frequency to rifampicin resistance was observed. [ABSTRACT FROM AUTHOR]

Abstract: Microcystin-LR (MC-LR) and microcystin-RR (MC-RR) were oxidized and detoxified by improved ozonation using a titanium dioxide (TiO2) catalyst. Experimental results reveal that TiO2 significantly enhances the rate of degradation of MCs by increasing the rate of production of hydroxyl radicals (OH ) by initiating the decomposition of ozone on the catalyst surface. At a pH of 7, through the use of 1.0 O3-mg/L (2.1×10−5 M) and 500mg/L TiO2, the ratio (Rct ) between OH and ozone concentration increases from 2.09×10−8 to 117.10×10−8. Also, TiO2 increases the overall reaction rate. The overall rate constant (koverall ) increases is most increased using 500mg-TiO2/L, which increases the koverall value by more than fivefold. Catalytic ozonation is an effective means of oxidation method in reducing the toxic and mutagenic activities of MCs. An Ames test revealed that MC-LR exhibits positive mutagenic activity in the Salmonella/microsome assay with strains TA98 and TA100 in the absence and presence of S9. However, based on the mutagenic activity of MC-LR during oxidation, catalytic ozonation may either increase or reduce the toxic response of test samples. Additionally, applying ozone couples with high TiO2 dosages reduces mutagenicity, whereas applying fixed 0.5mg-O3/L and TiO2 dosages of lower than 50mg/L increases the mutagenicity of oxidized MC-LR. The mutagenic effects of the test samples are dominated by TiO2 dosage and reaction time, and possibly generate by-products that may change the mutagenic properties of MC-LR. Similar to the results of the Ames test, the results of the Microtox test also reveal that the catalytic ozonated samples exhibit greatly reduced toxicity and markedly lower residual toxicity than the original samples. [Copyright &y& Elsevier]

Abstract: This paper expands upon our original work on nitroanthracenes in (Alparone, A., Librando, V., 2012. Spectrochim. Acta A 89, 129–136) on the series of nitrophenanthrene isomers. Geometries, electric properties, IR and Raman spectra of 1-, 2-, 3-, 4- and 9-nitrophenanthrene (1-NP, 2-NP, 3-NP, 4-NP and 9-NP) were obtained and analyzed using Density Functional Theory calculations. The balance between steric and π-conjugative interactions determines the order of stability 4-NP < 1-NP ∼ 9-NP < 2-NP ∼ 3-NP. IR and Raman spectral zones between 1000 and 1600cm−1 show intense bands noticeably affected by the position of the substituent, being potentially useful to discriminate and monitor the investigated isomers. Dipole moments, summations of IR intensity (ΣI IR) and Raman activity (ΣA Raman) over the 3N-6 vibrational modes are sensitive to the structure, increasing steadily from the non-planar to the planar isomers. Good linear relationships between the ΣI IR (r =0.90) and ΣA Raman (r =0.99) against the Salmonella typhimurium strain TA98 mutagenic activity of nitrophenanthrenes and isomeric nitroanthracenes are found. On the basis of the structural and vibrational properties, 4-NP seems to have not mutagenic activity, while the unknown TA98 mutagenic potency of 1-nitroanthracene is predicted to be between that of 9-NP and 3-NP. Calculated ΣI IR and ΣA Raman values could be used as molecular descriptors for QSARs applications of series of isomers. [Copyright &y& Elsevier]

Molecular geometries, nucleus independent chemical shifts, electronic, infrared and Raman spectra, vertical ionization energy and electron affinity, dipole moment, and electronic polarizabilities of 3-nitro-6-azabenzo[ a]pyrene and its N-oxide derivative were calculated for the gas phase using semiempirical and density functional theory. The influence of the N-oxidation on structural, electronic, and spectroscopic properties is discussed. The infrared spectral region around 1,300 cm involving the azabenzene N-O and the NO stretching vibrations is potentially useful to distinguish 3-nitro-6-azabenzo[ a]pyrene from its N-oxide derivative. The calculated vertical ionization energy for 3-nitro-6-azabenzo[ a]pyrene N-oxide is smaller than that of its parent compound, whereas the vertical electron affinity is higher in agreement with the experimental electrochemical reduction potentials. Both dipole moment and polarizability increase on passing from 3-nitro-6-azabenzo[ a]pyrene to its N-oxide derivative, the contribution from the N-O bond formation being substantial. The electric property enhancements are explained through atomic charges and spectral shifts. Present results support the higher mutagenic activity for the N-oxide derivative in comparison with its parent compound. Graphical abstract: [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

The article offers information on a study that examines the mutagenic activity of isoflavones genistein after treatment with nitrite under acidic conditions. It reports that nitrite-treated genistein exhibits mutagenic activity toward Salmonella typhimurium bacterial strains TA 100 and TA 98. It reports that daily oral intake of genistein and nitrite compounds induces formation of various mutagenic compounds in the body.

Abstract: Structure, IR and Raman spectra of 1-, 2- and 9-nitroanthracene isomers (1-NA, 2-NA and 9-NA) were calculated and analyzed through density functional theory computations using the B3LYP functional with the 6-311+G** basis set. Steric and π-conjugative effects determine the characteristic Oh name="sbnd" />Cl angles, which vary from 0° (2-NA) to 28-29° (1-NA) and 59° (9-NA), influencing the relative order of stability along the series 9-NA < 1-NA < 2-NA. The spectral regions at wavenumber values >3000cm−1 and <1000cm−1 little depend on the substituent position. The Raman and IR intensity values of the characteristic symmetric nitro group stretching transition, appearing between 1310 and 1345cm−1, are rather sensitive to the position of the substituent, decreasing regularly on passing from the planar to the NO2-rotated isomers (9-NA < 1-NA < 2-NA). In the medium-energy spectral region (1000–1700cm−1), the number and the relative position of the strongest Raman bands are of potential utility to discriminate the NA isomers. Structural and spectroscopic results suggest that the unknown mutagenic activity of 1-NA is expected to be between that of 9-NA and 2-NA. [Copyright &y& Elsevier]

Abstract: The mutagenicy of the slightly weathered fuel oil from the Prestige oil spill and the effects of different bioremediation products (nutrients and/or microorganisms and biodiesel) on the potential mutagenic activity of this heavy fuel oil spilled on the shore were evaluated for a period of 1year using the Ames Salmonella assay with strains TA98, TA100, TA1535 and TA1537 in the absence and presence of exogenous metabolic activation (S9 fraction from rat liver). The in situ bioremediation experiment was performed using tiles located in the supra-littoral and intertidal zones of a beach seriously affected by the fuel oil spill. The results obtained showed the mutagenic activity of the slightly weathered fuel oil extracts at the beginning of the experiment in strain TA98 that persisted for more than 150days in both the untreated control and treated tiles independently of the zone of the beach considered. However, after 360days neither the control nor the treated tiles in the intertidal zone showed mutagenic activity and a weak positive response in strain TA98 was detected for the control fuel oil extracts from supra-littoral tiles. The application of biodiesel to accelerate the biodegradation of this type of fuel oil may constitute a further genotoxic hazard to the environment, since the mutagenic response achieved from the biodiesel–fuel oil mixture in the first samplings (days 0 and 30) was more potent than that obtained from the control tiles. The mutagenic activity was detected along the study with S. typhimurium TA98 in both the presence and absence of S9 microsomal fraction, but the addition of S9 fraction in the assay always increased the number of revertants induced. In general, these findings suggest that the bioremediation strategies used were not effective in eliminating the genotoxic hazard associated with this heavy fuel oil attached to rocky substrate since they did not achieve a decrease in the mutagenic response with respect to the untreated control tiles. These data also confirm that genotoxicity assays should be used to evaluate the effectiveness of bioremediation efforts associated with oil spills for a better risk assessment. [Copyright &y& Elsevier]

Abstract: Croton lechleri essential oil has been obtained by steam distillation of fresh stem bark from Amazonian Ecuador adult plants (yield: 0.61ml/kg [0.061%]; density: 1.01g/ml), and then chemically characterised by GC (Gas Chromatography) and GC–MS (gas chromatography–mass spectrometry). Seventy-four chemicals were detected and identified; the most abundant in descending order, were the sesquiterpenes sesquicineole (17.29%), α-calacorene (11.29%), 1,10-di-epi-cubenol (4.75%), β-calacorene (4.34%) and epi-cedrol (4.09%). Monoterpenes checked with a relative peak area higher than 2.0% were α-pinene (2.01%), p-cymene (2.61%), limonene (4.20%) and borneol (2.67%). The structure of the main chemicals were confirmed by GC–MS and 1H NMR analyses. Spectrophotometric 1,1-diphenyl-2-picrylhydrazyl (DPPH) and DPPH-(high performance) thin layer chromatography (DPPH-(HP)TLC) bioautographic assays showed a lower radical scavenging capacity (IC50) with respect to commercial thyme essential oil and BHA (butylated hydroxyl anisole), pointing out, however, that the C. lechleri essential oil fraction, characterised by α-calacorene, β-calacorene and δ-cadalene, was the most involved in the bioactivity. Similar results were obtained with β-carotene bleaching assay, where the IC50 values were 0.291±0.024mg/ml for C. lechleri essential oil, 0.164±0.013 and 1.34×10−4 ±10−5 mg/ml for thyme essential oil and BHA, respectively. (HP)TLC-bioautographic assay performed with Gram positive and Gram negative bacteria revealed a minimum inhibitory concentration (MIC) values comprised between 0.10mg/ml (Escherichia coli) and 10.10mg/ml (for e.g. Pseudomonas aeruginosa), and the fraction mainly characterised by sesquicineole (97.38%) as the most involved in antibacterial capacity. Ames test employing Salmonella typhimurium TA98 and TA100 with and without a metabolic activation mixture (S9 mix) demonstrated the absence of mutagenicity of the C. lechleri essential oil between a concentration range of 10−2 and 100mg/plate. The same results were achieved by Saccharomyces cerevisiae D7 strain assay. An interesting mutagen-protective efficacy was evidenced by a 30% and 33% revertants reduction of TA98 strain treated with 2-aminoanthracene and nitrofluorene (2μg/plate), suggesting, above all, the possibility to employ C. lechleri essential oil as a new flavouring protective ingredient for foods or dietary supplements against potential mutagens formed during cooking and/or processing in general. [Copyright &y& Elsevier]

Aflatoxin B (AFB) is a potent mycotoxin with mutagenic, carcinogenic, teratogenic, hepatotoxic, and immunosuppressive properties. In order to develop a bioremediation system for AFB-contaminated foods by white-rot fungi or ligninolytic enzymes, AFB was treated with manganese peroxidase (MnP) from the white-rot fungus Phanerochaete sordida YK-624. AFB was eliminated by MnP. The maximum elimination (86.0%) of AFB was observed after 48 h in a reaction mixture containing 5 nkat of MnP. The addition of Tween 80 enhanced AFB elimination. The elimination of AFB by MnP considerably reduced its mutagenic activity in an umu test, and the treatment of AFB by 20 nkat MnP reduced the mutagenic activity by 69.2%. H-NMR and HR-ESI-MS analysis suggested that AFB is first oxidized to AFB-8,9-epoxide by MnP and then hydrolyzed to AFB-8,9-dihydrodiol. This is the first report that MnP can effectively remove the mutagenic activity of AFB by converting it into AFB-8,9-dihydrodiol. [ABSTRACT FROM AUTHOR]

Purpose: This study was carried out to determine hazards of particle-bound contaminants in rivers to retention areas close to public well fields in the context of flood events. The focus was on the assessment of soil contamination at a planned retention area. Soil core samples were chemically and biologically analyzed. Samples were fractionated to identify and compare contaminant loads and biological effects of soil and flood suspended particulate matter (SPM). Material and methods: Soil cores were sampled at inundated and non-inundated sites at a planned retention area. Soil was analyzed for hexachlorobenzene (HCB), polychlorinated biphenyls (PCBs) as well as for polycyclic aromatic hydrocarbons (PAHs). The highest inducing soil sample was fractionated applying a recently developed automated fractionation method to receive further insight into contaminant loads in soil at inundated sites. Impacts on biological scale were assessed using in vitro biotests for xenometabolic activity (7-ethoxyresorufin- o-deethylase (EROD) assay) as well as for mutagenic activity (Ames fluctuation assay). EROD induction was calculated as biological equivalent concentration (bio-TEQ), and mutagenic potentials were given as no observed effect concentration (NOEC) and maximum induction factor (IF). Results and discussion: Soil core samples of each site induced EROD activity. However, extracts of soil sampled at a ground swale was by far the highest inducing (topsoil bio-TEQ = 41,000 pg/g). Further, chemical analysis yielded relative increases in concentration in particular: HCB (0.05 mg/kg), PCBs (0.19 mg/kg), and EPA-PAHs (39 mg/kg). Extracts of soil samples caused no mutagenic effects. PAHs caused the bulk of EROD activity (bio-TEQ = 32,000 pg/g) with ground swale topsoil fractions. Further, fractions containing moderately polar and polar substances gave elevated effects (bio-TEQ = 8,200 pg/g). Mutagenic potentials were shown with most fractions. However, highest induction was observed with fractions containing moderately polar to polar substances reflected by a NOEC ≥0.03 mg/ml and an IF ≤29. Conclusions: Soil contamination at floodplains is heterogeneous but may reach elevated levels with soil swales giving highest chemical concentrations and biological effects with total sample extracts and fractions. The origin of floodplain soil contamination can be evaluated using lines of evidence which may result in identification of contaminant transport path from sediment, via flood SPM to soil. Taking hazard assessment of floodplain soil forward to risk evaluation may indicate a concern which highlights the need to further investigate on hazards caused by eroded sediment in flood events to avoid conflicts of interest when planning and operating retention basins. [ABSTRACT FROM AUTHOR]

The previously proved method of Ames test was followed to measure the mutagenic activity. We used Salmonella typhimurium which has special gene mutation site with a single compound characteristic and histidine operon, and measured at the four (Gumi, Gangjung, Gachang, Hyunpung) branch points of Nakdong river for one year. We used Standard Methods for general water analysis with the items as water temperature, pH, DO, BOD, COD, KMnO, T-N, T-P, NH-N, TOC, and AOX. Hyunpung branch, where the Nakdong and the Gumho river seems to be mixed enough, showed higher mutagenic activity than the other 3 branches. Every point of Nakdong river showed the TA98 mutagenic activity higher than 2, while TA100 was lower than 2. Most of the mutagenic activity was detected from methanol extracts. These results indicate that Nakdong river water quality is getting deteriorated, and that Nakdong river is influencing the mutagenic activity by Frame-shift type mutation and its polar substances. Correlations (R) between mutagenic activity and concentrations of water analysis items as TOC, AOX, BOD, COD, T-N, and T-P, resulted as 0.768, 0.787, 0.743, 0.688, 0.757, 0.628, respectively, and mutagenic activities of TA98 and TA100, after the treatment of ozone and activated carbon, decreased by chlorine pre-treatment. Finally, if the injected concentration of ozone was higher than 1.0 mL, TA98 and TA100 showed lower mutagenic activities than 2. [ABSTRACT FROM AUTHOR]

Abstract: Four labdanes with a 8α,15-epoxy ring (8α,15-epoxylabdan-16β-oic acid; 8α,15-epoxy-16-norlabdan-13-one; 8α,15-epoxy-16-norlabdane; and 16-acetoxy-8α,15-epoxylabdane) and the known compound ambreinolide were isolated from the hexane extract of the aerial parts of the grass Eragrostis viscosa. The structures of all compounds were established based on spectroscopic data and the X-ray analysis of 8α,15-epoxy-16-norlabdan-13-one. The hexane extract presented moderate activity against the snail Biomphalaria glabrata. 8α,15-Epoxylabdan-16β-oic acid showed no mutagenic activity for doses up to 1000μg/plate and no significant clastogenic activity for doses up to 100μg/ml. [Copyright &y& Elsevier]