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Sample records for carcinogenic metal compounds

  1. Carcinogenic metal compounds: recent insight into molecular and cellular mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Beyersmann, Detmar [University of Bremen (Germany). Biochemistry, Department of Biology and Chemistry; Hartwig, Andrea [Technical University of Berlin (Germany). Institute of Food Technology and Food Chemistry

    2008-08-15

    Mechanisms of carcinogenicity are discussed for metals and their compounds, classified as carcinogenic to humans or considered to be carcinogenic to humans: arsenic, antimony, beryllium, cadmium, chromium, cobalt, lead, nickel and vanadium. Physicochemical properties govern uptake, intracellular distribution and binding of metal compounds. Interactions with proteins (e.g., with zinc finger structures) appear to be more relevant for metal carcinogenicity than binding to DNA. In general, metal genotoxicity is caused by indirect mechanisms. In spite of diverse physicochemical properties of metal compounds, three predominant mechanisms emerge: (1) interference with cellular redox regulation and induction of oxidative stress, which may cause oxidative DNA damage or trigger signaling cascades leading to stimulation of cell growth; (2) inhibition of major DNA repair systems resulting in genomic instability and accumulation of critical mutations; (3) deregulation of cell proliferation by induction of signaling pathways or inactivation of growth controls such as tumor suppressor genes. In addition, specific metal compounds exhibit unique mechanisms such as interruption of cell-cell adhesion by cadmium, direct DNA binding of trivalent chromium, and interaction of vanadate with phosphate binding sites of protein phosphatases. (orig.)

  2. The Mammary Gland Carcinogens: The Role of Metal Compounds and Organic Solvents

    Directory of Open Access Journals (Sweden)

    Stephen Juma Mulware

    2013-01-01

    Full Text Available The increased rate of breast cancer incidences especially among postmenopausal women has been reported in recent decades. Despite the fact that women who inherited mutations in the BRCA1 and BRCA2 genes have a high risk of developing breast cancer, studies have also shown that significant exposure to certain metal compounds and organic solvents also increases the risks of mammary gland carcinogenesis. While physiological properties govern the uptake, intracellular distribution, and binding of metal compounds, their interaction with proteins seems to be the most relevant process for metal carcinogenicity than biding to DNA. The four most predominant mechanisms for metal carcinogenicity include (1 interference with cellular redox regulation and induction of oxidative stress, (2 inhibition of major DNA repair, (3 deregulation of cell proliferation, and (4 epigenetic inactivation of genes by DNA hypermethylation. On the other hand, most organic solvents are highly lipophilic and are biotransformed mainly in the liver and the kidney through a series of oxidative and reductive reactions, some of which result in bioactivation. The breast physiology, notably the parenchyma, is embedded in a fat depot capable of storing lipophilic xenobiotics. This paper reviews the role of metal compounds and organic solvents in breast cancer development.

  3. Carcinogenicity studies on fibres, metal compounds, and some other dusts in rats.

    Science.gov (United States)

    Pott, F; Ziem, U; Reiffer, F J; Huth, F; Ernst, H; Mohr, U

    1987-01-01

    About 50 dusts were examined on their carcinogenicity in rats mainly after intraperitoneal injection and some after intratracheal instillation. In the i.p. test, very low doses between 0.05 and 0.5 mg asbestos led to tumour incidences of about 20 to 80%. Polyvinyl-pyridine-N-oxide prolonged the tumour latency after injection of actinolite. 60 mg attapulgite from three sources with short fibre lengths were not shown to be carcinogenic but an attapulgite sample with longer fibres had a moderate effect. Relatively thick rock and ceramic fibres (median greater than 1 micron) induced tumours, but slag and wollastonite fibres did not, probably because of their better solubility. Intratracheal instillations of glass microfibres (20 X 0.5 mg) led to lung tumours in 5 of 34 rats (0 in control). The carcinogenic potency of an inorganic fibre depends on its size and persistency, and possibly also on other properties, especially on the surface. Nickel powder, nickel oxide, nickel subsulfide and cadmium sulfide were all found to be carcinogenic in the two tests. Cadmium chloride and cadmium oxide could only be administered in very low doses because of their high acute toxicity. A high amount of magnetite (15 X 15 mg i.tr.) led to an unexpected lung tumour incidence of 69%. The i.p. test in rats proved to be very sensitive for detecting the carcinogenic potency of non-acute toxic natural and man-made mineral dusts as well as metal compounds. This means that, if a high dose of one of these dusts does not induce tumours in this test, no suspicion of carcinogenic potency can be substantiated.

  4. Carcinogenic compounds in alcoholic beverages: an update.

    Science.gov (United States)

    Pflaum, Tabea; Hausler, Thomas; Baumung, Claudia; Ackermann, Svenja; Kuballa, Thomas; Rehm, Jürgen; Lachenmeier, Dirk W

    2016-10-01

    The consumption of alcoholic beverages has been classified as carcinogenic to humans by the International Agency for Research on Cancer (IARC) since 1988. More recently, in 2010, ethanol as the major constituent of alcoholic beverages and its metabolite acetaldehyde were also classified as carcinogenic to humans. Alcoholic beverages as multi-component mixtures may additionally contain further known or suspected human carcinogens as constituent or contaminant. This review will discuss the occurrence and toxicology of eighteen carcinogenic compounds (acetaldehyde, acrylamide, aflatoxins, arsenic, benzene, cadmium, ethanol, ethyl carbamate, formaldehyde, furan, glyphosate, lead, 3-MCPD, 4-methylimidazole, N-nitrosodimethylamine, pulegone, ochratoxin A, safrole) occurring in alcoholic beverages as identified based on monograph reviews by the IARC. For most of the compounds of alcoholic beverages, quantitative risk assessment provided evidence for only a very low risk (such as margins of exposure above 10,000). The highest risk was found for ethanol, which may reach exposures in ranges known to increase the cancer risk even at moderate drinking (margin of exposure around 1). Other constituents that could pose a risk to the drinker were inorganic lead, arsenic, acetaldehyde, cadmium and ethyl carbamate, for most of which mitigation by good manufacturing practices is possible. Nevertheless, due to the major effect of ethanol, the cancer burden due to alcohol consumption can only be reduced by reducing alcohol consumption in general or by lowering the alcoholic strength of beverages.

  5. Method for converting asbestos to non-carcinogenic compounds

    Science.gov (United States)

    Selby, Thomas W.

    1996-01-01

    Hazardous and carcinogenic asbestos waste characterized by a crystalline fibrous structure is transformed into non-carcinogenic, relatively nonhazardous, and non-crystalline solid compounds and gaseous compounds which have commercial utilization. The asbestos waste is so transformed by the complete fluorination of the crystalline fibrous silicate mineral defining the asbestos.

  6. Comparative toxicity and carcinogenicity of soluble and insoluble cobalt compounds.

    Science.gov (United States)

    Behl, Mamta; Stout, Matthew D; Herbert, Ronald A; Dill, Jeffrey A; Baker, Gregory L; Hayden, Barry K; Roycroft, Joseph H; Bucher, John R; Hooth, Michelle J

    2015-07-03

    Occupational exposure to cobalt is of widespread concern due to its use in a variety of industrial processes and the occurrence of occupational disease. Due to the lack of toxicity and carcinogenicity data following exposure to cobalt, and questions regarding bioavailability following exposure to different forms of cobalt, the NTP conducted two chronic inhalation exposure studies in rats and mice, one on soluble cobalt sulfate heptahydrate, and a more recent study on insoluble cobalt metal. Herein, we compare and contrast the toxicity profiles following whole-body inhalation exposures to these two forms of cobalt. In general, both forms were genotoxic in the Salmonella T98 strain in the absence of effects on micronuclei. The major sites of toxicity and carcinogenicity in both chronic inhalation studies were the respiratory tract in rats and mice, and the adrenal gland in rats. In addition, there were distinct sites of toxicity and carcinogenicity noted following exposure to cobalt metal. In rats, carcinogenicity was observed in the blood, and pancreas, and toxicity was observed in the testes of rats and mice. Taken together, these findings suggest that both forms of cobalt, soluble and insoluble, appear to be multi-site rodent carcinogens following inhalation exposure. Published by Elsevier Ireland Ltd.

  7. Mutagenic and carcinogenic actions of chromium and its compounds.

    Science.gov (United States)

    Mamyrbaev, Arstan Abdramanovich; Dzharkenov, Timur Agataevich; Imangazina, Zina Amangalievna; Satybaldieva, Umit Abulkhairovna

    2015-05-01

    Numerous experimental observations have been made on microorganisms and culture of the cells of mammals as well as the accounting of the chromosomal aberrations in the bone marrow cells of the mammals and of human cells displayed that the chromium and its compounds possess a pronounced mutagenic effect. Translocation test, induction record of DNA damage and repair systems in the mammalian and human cells with greater precision proves the presence of the mutagenic effect of the chromium and its compounds, which in turn is dependent on dose and time of this metal intoxication. Chromium and its compounds have pronounced mutagenic effect, on increased admission to organism of mammals and protozoa.

  8. Assessment of carcinogenic heavy metal levels in Brazilian cigarettes.

    Science.gov (United States)

    Viana, Gustavo Freitas de Sousa; Garcia, Karina S; Menezes-Filho, Jose Antonio

    2011-10-01

    Several studies have associated high cancer incidence with smoking habits. According to IARC, lead (Pb), cadmium (Cd), arsenic (As), nickel (Ni), and chromium (Cr) are carcinogenic to humans. These metals are present in cigarettes and their levels vary according to geographical region of tobacco cultivation, fertilizer treatment, plant variety etc. This study aims to assess these metal levels in cigarettes commercialized in Brazil. Three cigarettes of each 20 different brands were individually weighed, the tobacco filling removed, and homogenized. After desiccation, samples were subjected to microwave-assisted digestion. Analyses were performed by graphite furnace atomic absorption spectrometry. Mean levels for Pb, Cd, As, Ni, and Cr were, respectively, 0.27 ± 0.054, 0.65 ± 0.091, 0.09 ± 0.024, 1.26 ± 0.449, and 1.43 ± 0.630, in micrograms per gram of tobacco. No correlation was observed between Cd and any other metal analyzed. A mild correlation (r = 0.483, p < 0.05) was observed between Pb and Cr levels. Strong significant (p < 0.01) correlations were observed between Ni and Cr (r = 0.829), Ni and As (r = 0.799), Ni and Pb (r = 0.637), and between Cr and As (r = 0.621). Chromium and Ni levels were significantly higher in cigarettes from a multinational manufacturer. Our results show a high variability in heavy metal levels in cigarettes, representing an important exposure source of smokers and passive smokers to carcinogenic substances.

  9. Light metal compound casting

    Institute of Scientific and Technical Information of China (English)

    Konrad; J.; M.; PAPIS; Joerg; F.; LOEFFLER; Peter; J.; UGGOWITZER

    2009-01-01

    Compound casting’simplifies joining processes by directly casting a metallic melt onto a solid metal substrate. A continuously metallurgic transition is very important for industrial applications, such as joint structures of spaceframe constructions in transport industry. In this project, ‘compound casting’ of light metals is investigated, aiming at weight-saving. The substrate used is a wrought aluminium alloy of type AA5xxx, containing magnesium as main alloying element. The melts are aluminium alloys, containing various alloying elements (Cu, Si, Zn), and magnesium. By replacing the natural oxygen layer with a zinc layer, the inherent wetting difficulties were avoided, and compounds with flawless interfaces were successfully produced (no contraction defects, cracks or oxides). Electron microscopy and EDX investigations as well as optical micrographs of the interfacial areas revealed their continu- ously metallic constitution. Diffusion of alloying elements leads to heat-treatable microstructures in the vicinity of the joining interfaces in Al-Al couples. This permits significant variability of mechanical properties. Without significantly cutting down on wettability, the formation of low-melting intermetallic phases (Al3Mg2 and Al12Mg17 IMPs) at the interface of Al-Mg couples was avoided by applying a protective coating to the substrate.

  10. Light metal compound casting

    Institute of Scientific and Technical Information of China (English)

    Konrad J.M.PAPIS; Joerg F.LOEFFLER; Peter J.UGGOWITZER

    2009-01-01

    'Compound casting'simplifies joining processes by directly casting a metallic melt onto a solid metal substrate. A continuously metallurgic transition is very important for industrial applications, such as joint structures of spaceframe constructions in transport industry. In this project, 'compound casting' of light metals is investigated, aiming at weight-saving. The substrate used is a wrought aluminium alloy of type AA5xxx, containing magnesium as main alloying element. The melts are aluminium alloys, containing various alloying elements (Cu, Si, Zn), and magnesium. By replacing the natural oxygen layer with a zinc layer, the inherent wetting difficulties were avoided, and compounds with flawless interfaces were successfully produced (no contraction defects, cracks or oxides). Electron microscopy and EDX investigations as well as optical micrographs of the interfacial areas revealed their continu-ously metallic constitution. Diffusion of alloying elements leads to heat-treatable microstructures in the vicinity of the joining interfaces in Al-Al couples. This permits significant variability of mechanical properties. Without significantly cutting down on wettability, the formation of low-melting intermetallic phases (Al3Mg2 and AI12Mg17 IMPs) at the interface of Al-Mg couples was avoided by applying a protec-tive coating to the substrate.

  11. Levels of Genotoxic and Carcinogenic Compounds in Plant food Supplements and Associated Risk Assessment

    NARCIS (Netherlands)

    Berg, van den S.J.P.L.; Restani, P.; Boersma, M.G.; Delmulle, L.; Rietjens, I.

    2011-01-01

    The present study describes the selection, analysis and risk assessment of genotoxic and carcinogenic compounds of botanicals and botanical preparations which can be found in plant food supplements (PFS). First an inventory was made of botanical compounds that are of possible concern for human healt

  12. Nasal toxicity, carcinogenicity, and olfactory uptake of metals.

    Science.gov (United States)

    Sunderman, F W

    2001-01-01

    Occupational exposures to inhalation of certain metal dusts or aerosols can cause loss of olfactory acuity, atrophy of the nasal mucosa, mucosal ulcers, perforated nasal septum, or sinonasal cancer. Anosmia and hyposmia have been observed in workers exposed to Ni- or Cd-containing dusts in alkaline battery factories, nickel refineries, and cadmium industries. Ulcers of the nasal mucosa and perforated nasal septum have been reported in workers exposed to Cr(VI) in chromate production and chrome plating, or to As(III) in arsenic smelters. Atrophy of the olfactory epithelium has been observed in rodents following inhalation of NiSO4 or alphaNi3S2. Cancers of the nose and nasal sinuses have been reported in workers exposed to Ni compounds in nickel refining, cutlery factories, and alkaline battery manufacture, or to Cr(VI) in chromate production and chrome plating. In animals, several metals (eg, Al, Cd, Co, Hg, Mn, Ni, Zn) have been shown to pass via olfactory receptor neurons from the nasal lumen through the cribriform plate to the olfactory bulb. Some metals (eg, Mn, Ni, Zn) can cross synapses in the olfactory bulb and migrate via secondary olfactory neurons to distant nuclei of the brain. After nasal instillation of a metal-containing solution, transport of the metal via olfactory axons can occur rapidly, within hours or a few days (eg, Mn), or slowly over days or weeks (eg, Ni). The olfactory bulb tends to accumulate certain metals (eg, Al, Bi, Cu, Mn, Zn) with greater avidity than other regions of the brain. The molecular mechanisms responsible for metal translocation in olfactory neurons and deposition in the olfactory bulb are unclear, but complexation by metal-binding molecules such as carnosine (beta-alanyl-L-histidine) may be involved.

  13. Transition Metal Compounds Towards Holography

    Directory of Open Access Journals (Sweden)

    Volker Dieckmann

    2012-06-01

    Full Text Available We have successfully proposed the application of transition metal compounds in holographic recording media. Such compounds feature an ultra-fast light-induced linkage isomerization of the transition-metal–ligand bond with switching times in the sub-picosecond regime and lifetimes from microseconds up to hours at room temperature. This article highlights the photofunctionality of two of the most promising transition metal compounds and the photophysical mechanisms that are underlying the hologram recording. We present the latest progress with respect to the key measures of holographic media assembled from transition metal compounds, the molecular embedding in a dielectric matrix and their impressive potential for modern holographic applications.

  14. An Overview of Carcinogenic Heavy Metal: Molecular Toxicity Mechanism and Prevention

    Science.gov (United States)

    Kim, Hyun Soo; Kim, Yeo Jin; Seo, Young Rok

    2015-01-01

    Almost all heavy metals are serious toxicants as carcinogens. However, due to their chemical and physiological properties, heavy metals are useful in industrial areas including alloy, smelting and production of commercial products. Such applications increase the opportunity for heavy metal exposure. Waste from industrial processes is also a major source of environmental contamination and accumulation in the human body. Arsenic, cadmium, chromium, and nickel are classified as group 1 carcinogens by the International Agency for Research on Cancer, and are utilized commercially. In this review, we used molecular pathway analysis to understand the toxicity and carcinogenic mechanisms of these metals. Our analyzed data showed that above-mentioned metallic substances induce oxidative stress, DNA damage, and cell death processes, resulting in increase the risk of cancer and cancer-related diseases. Thus, we might think phytochelatin molecules and antioxidative phytochemical substances are helpful for prevention of heavy metal-induced cancer. PMID:26734585

  15. Biodegradation of the metallic carcinogen hexavalent chromium Cr(VI by an indigenously isolated bacterial strain

    Directory of Open Access Journals (Sweden)

    Das Alok

    2010-01-01

    Full Text Available Background : Hexavalent chromium [Cr(VI], a potential mutagen and carcinogen, is regularly introduced into the environment through diverse anthropogenic activities, including electroplating, leather tanning, and pigment manufacturing. Human exposure to this toxic metal ion not only causes potential human health hazards but also affects other life forms. The World Health Organization, the International Agency for Research on Cancer, and the Environmental Protection Agency have determined that Cr(VI compounds are known human carcinogens. The Sukinda valley in Jajpur District, Orissa, is known for its deposit of chromite ore, producing nearly 98% of the chromite ore in India and one of the prime open cast chromite ore mines in the world (CES, Orissa Newsletter. Materials and Methods: Our investigation involved microbial remediation of Cr(VI without producing any byproduct. Bacterial cultures tolerating high concentrations of Cr were isolated from the soil sample collected from the chromite-contaminated sites of Sukinda, and their bioaccumulation properties were investigated. Strains capable of growing at 250 mg/L Cr(VI were considered as Cr resistant. Results: The experimental investigation showed the maximum specific Cr uptake at pH 7 and temperature 30oC. At about 50 mg/L initial Cr(VI concentrations, uptake of the selected potential strain exceeded 98% within 12 h of incubation. The bacterial isolate was identified by 16S rRNA sequencing as Brevebacterium casei. Conclusion: Results indicated promising approach for microbial remediation of effluents containing elevated levels of Cr(VI.

  16. Detection of mutagenic/carcinogenic compounds in unused and used motor oils.

    Science.gov (United States)

    Pasquini, R; Monarca, S

    1983-12-15

    The discharge of used motor oils in the environment poses public health problems because of the mutagenic/carcinogenic compounds in them. Among these hazardous chemicals, polycyclic aromatic hydrocarbons (PAH) are of particular interest since the carcinogenic properties of some of them are known. The authors have applied the Salmonella/microsome test, coupled with two preparation methods of samples, to motor oils of different brands, both before and after use in car petrol engines. A PAH determination method was also studied. The results showed the unused motor oils to be nonmutagenic and to contain traces of PAH, while the used motor oils of the samples taken according to both preparation methods were highly mutagenic and contained a much higher quantity of mutagenic/carcinogenic PAH.

  17. Oral malodorous compounds are periodontally pathogenic and carcinogenic

    Directory of Open Access Journals (Sweden)

    Ken Yaegaki

    2008-10-01

    Full Text Available Volatile sulfur compounds (VSCs, mainly composed of hydrogen sulfide (H2S and methyl mercaptan (CH3SH, cause halitosis. VSCs increase the permeability of a model for gingival crevicular epithelia, causing an increase in the penetration of lipopolysaccharide, as well as prostaglandin, into the tissue. VSCs inhibit the proliferation of human gingival fibroblasts (HGF, human gingival epithelial cells (HGEC and osteoblasts. H2S also causes apoptosis in HGF and HGEC. Furthermore, VSCs increase collagen degradation and reduce collagen synthesis in HGF and suppress wound healing, especially the formation of basal membrane and Type IV collagen synthesis. Moreover, VSCs stimulate interleukin-1 production, resulting in an increase in prostaglandin E and matrix metalloproteinase 1. Thus, VSCs may induce the initial damage to the epithelial barrier in the progression of periodontal disease. VSCs, especially H2S, strongly inhibit cytochrome c oxidase, which is a key enzyme for oxidative phosphorylation in the respiratory chain. Therefore, high concentration of VSCs causes lethal toxicities as well as cyanide. On the other hand, very low concentration of H2S at lower concentration in periodontal pocket causes genomic DNA damages in both HGF and HGEC. It has been suggested that VSCs may be one of the contributing factors for carcinogenesis because of increasing oxidative stress, and as the Ras/mitogen activated protein kinase signaling pathway, which is constitutively activated in many types of cancer, is enhanced.

  18. An Overview of Carcinogenic Heavy Metal: Molecular Toxicity Mechanism and Prevention

    OpenAIRE

    Kim,Hyun Soo; Kim, Yeo Jin; Seo, Young Rok

    2015-01-01

    Almost all heavy metals are serious toxicants as carcinogens. However, due to their chemical and physiological properties, heavy metals are useful in industrial areas including alloy, smelting and production of commercial products. Such applications increase the opportunity for heavy metal exposure. Waste from industrial processes is also a major source of environmental contamination and accumulation in the human body. Arsenic, cadmium, chromium, and nickel are classified as group 1 carcinoge...

  19. Metals and metal compounds in cancer treatment.

    Science.gov (United States)

    Desoize, Bernard

    2004-01-01

    Metals and metal compounds have been used in medicine for several thousands of years. In this review we summarized the anti-cancer activities of the ten most active metals: arsenic, antimony, bismuth, gold, vanadium, iron, rhodium, titanium, gallium and platinum. The first reviewed metal, arsenic, presents the anomaly of displaying anti-cancer and oncogenic properties simultaneously. Some antimony derivatives, such as Sb2O3, salt (tartrate) and organic compounds, show interesting results. Bismuth directly affects Helicobacter pylori and gastric lymphoma; the effects of bismuth complexes of 6-mercaptopurine are promising. Gold(I) and (III) compounds show anti-tumour activities, although toxicity remains high. Research into the potential use of gold derivatives is still ongoing. Several derivatives of vanadium show anti-proliferative activity, but their toxicity must be overcome. Several pieces of evidence indicate that iron deprivation could be an excellent therapeutic approach; furthermore, it is synergistic with classic anti-cancer drugs. Rhodium belongs to the same group as platinum and it also presents interesting activity, but with the same nephrotoxicity. Several rhodium compounds have entered phase I clinical trials. In contrast to the platinum complexes, titanium derivatives showed no evidence of nephrotoxicity or myelotoxicity; titanocene dichloride is undergoing clinical trial. The anti-proliferative effect of gallium could be related to its competition with the iron atom; in addition a derivative appears to reverse the multidrug resistance. The last metal reviewed, platinum, has given some of the very best anti-cancer drugs. Four derivatives are used today in the clinic; their mechanism of action and of resistance are described.

  20. Molecular basis for effects of carcinogenic heavy metals on inducible gene expression.

    OpenAIRE

    Hamilton, J W; Kaltreider, R C; Bajenova, O V; Ihnat, M A; McCaffrey, J; Turpie, B W; Rowell, E E; J. Oh; Nemeth, M. J.; Pesce, C A; Lariviere, J P

    1998-01-01

    Certain forms of the heavy metals arsenic and chromium are considered human carcinogens, although they are believed to act through very different mechanisms. Chromium(VI) is believed to act as a classic and mutagenic agent, and DNA/chromatin appears to be the principal target for its effects. In contrast, arsenic(III) is considered nongenotoxic, but is able to target specific cellular proteins, principally through sulfhydryl interactions. We had previously shown that various genotoxic chemica...

  1. A quantum mechanical approach to the theory of cancer from polynuclear compounds. Metabolic activation and carcinogenicity of extended anilines and aminoazo compounds.

    Science.gov (United States)

    Mohammad, S N

    1985-01-01

    Calculations have been carried out of the electronic structure and molecular properties in relation to metabolic activation and carcinogenic activities of polycyclic aromatic amines (PAAs). Quantum mechanical molecular orbital method MINDO/3 is employed in the calculations mainly on anilines, extended anilines, and aminoazo and other azo compounds. The calculations, in agreement with findings of Arcos and Argus, indicate that for the highest level of carcinogenic activity obtainable with the dicyclic aromatic amines, the amino substituent must be introduced at the terminal carbon atom of the longest conjugate chain. In the case of monocyclic compounds, in particular, charge distribution of the amino substitution aids in identifying the carcinogenic character of the PAAs. Our results demonstrate that ring hydroxylation leads to detoxification of the compounds. However, the major pathway leading to carcinogenic activity involves transformation to hydroxylamines and subsequently to electrophilic arylnitrenium ions (ANIs). These are in line with findings from experiments. Calculations of certain electronic parameters give expected relative carcinogenic potencies. In all cases the ANIs function as ambient electrophiles which can undergo both electrostatic and covalent binding with nucleophilic centers of proteins and DNA bases.

  2. Molecular basis for effects of carcinogenic heavy metals on inducible gene expression.

    Science.gov (United States)

    Hamilton, J W; Kaltreider, R C; Bajenova, O V; Ihnat, M A; McCaffrey, J; Turpie, B W; Rowell, E E; Oh, J; Nemeth, M J; Pesce, C A; Lariviere, J P

    1998-08-01

    Certain forms of the heavy metals arsenic and chromium are considered human carcinogens, although they are believed to act through very different mechanisms. Chromium(VI) is believed to act as a classic and mutagenic agent, and DNA/chromatin appears to be the principal target for its effects. In contrast, arsenic(III) is considered nongenotoxic, but is able to target specific cellular proteins, principally through sulfhydryl interactions. We had previously shown that various genotoxic chemical carcinogens, including chromium (VI), preferentially altered expression of several inducible genes but had little or no effect on constitutive gene expression. We were therefore interested in whether these carcinogenic heavy metals might target specific but distinct sites within cells, leading to alterations in gene expression that might contribute to the carcinogenic process. Arsenic(III) and chromium(VI) each significantly altered both basal and hormone-inducible expression of a model inducible gene, phosphoenolpyruvate carboxykinase (PEPCK), at nonovertly toxic doses in the chick embryo in vivo and rat hepatoma H411E cells in culture. We have recently developed two parallel cell culture approaches for examining the molecular basis for these effects. First, we are examining the effects of heavy metals on expression and activation of specific transcription factors known to be involved in regulation of susceptible inducible genes, and have recently observed significant but different effects of arsenic(III) and chromium(VI) on nuclear transcription factor binding. Second, we have developed cell lines with stably integrated PEPCK promoter-luciferase reporter gene constructs to examine effects of heavy metals on promoter function, and have also recently seen profound effects induced by both chromium(VI) and arsenic(III) in this system. These model systems should enable us to be able to identify the critical cis (DNA) and trans (protein) cellular targets of heavy metal exposure

  3. Non-carcinogenic risk assessment of eight metals in the source groundwater of Shaying River basin.

    Science.gov (United States)

    Ni, Tian-hua; Diao, Wei-ping; Xu, Jian-gang; Liu, Ning

    2011-07-01

    Because of serious pollution of river water, people living along the Shaying River in China exploit the groundwater as a drinking water resource. Various pollutants including heavy metals have been detected in the groundwater at depths up to 200 m. To perform a non-carcinogenic risk assessment, the hazard index (HI) was determined for several metals present in the groundwater. High resolution inductively coupled plasma-mass spectrometry and inductively coupled plasma-atomic emission spectroscopy were used to measure the levels of Hg, Fe, Mn, Zn, Cd, Cr, Cu and Pb in source groundwater of eight tap water treatment plants (WTPs) during a 3-year period (2007-2009). Zn was present at the highest concentration of up to 101.2 μg l(-1) and Cd contributed the most (57.8%) to the HI in the WTPs, followed by Mn (14.3%) and Cr (13.1%). Both hazard quotients of individual metals and HI of total non-carcinogenic risk in each WTP were below 1.0, suggesting that the water posed negligible health risk on local residents. Temporal and spatial comparisons showed that high HIs tend to occur in low water periods (i.e., summer), and the City Pressure Station (Fuyang City) had the highest HI, followed by Yingnan Pressure Station (Yingnan Country) and Taihe WTP (Taihe Country). This study provides benchmark information useful for regulatory authorities to control the discharge of metals into the Shaying River Basin, and serves as a basis for comparison to other river systems in the world.

  4. XANES spectra of transition metal compounds

    NARCIS (Netherlands)

    de Groot, F.M.F.|info:eu-repo/dai/nl/08747610X

    2009-01-01

    An overview is given of the interactions that determine the XANES spectral shapes of transition metal compounds. The interactions are divided into ground state effects, final state effects and transition effects. The metal L edges, metal K edges and ligand K edges are analysed with respect to these

  5. In vitro determination of carcinogenicity of sixty-four compounds using a bovine papillomavirus DNA-carrying C3H/10T(1/2) cell line.

    Science.gov (United States)

    Kowalski, L A; Laitinen, A M; Mortazavi-Asl, B; Wee, R K; Erb, H E; Assi, K P; Madden, Z

    2000-01-01

    A new in vitro test for predicting rodent carcinogenicity is evaluated against a testing database of 64 chemicals including both genotoxic and nongenotoxic carcinogens and carcinogens that normally require addition of an S-9 microsomal fraction for detection in the bacterial mutagenicity assay. The assay uses focus formation in a stable, bovine papillomavirus type 1 (BPV-1) DNA carrying C3H/10T(1/2) mouse embryo fibroblast cell line (T1) that does not require transfection, infection with virus, isolation of primary cells from animals, or addition of a microsomal fraction. Of a total database of 64 compounds, 92% of the carcinogens, promoters, or noncarcinogens were correctly predicted. Based on previously reported results, the test of bacterial mutagenicity would have correctly predicted 58% of carcinogens, promoters or noncarcinogens and the Syrian hamster embryo test would have correctly predicted 87% of carcinogens, promoters, or noncarcinogens of this database. Of carcinogens that normally require addition of an S-9 fraction, T1 cells correctly predicted rodent carcinogenicity of polyaromatic hydrocarbons, aflatoxins, azo-compounds, nitrosamines, and hydrazine without the addition of an S-9 fraction. Of nongenotoxic carcinogens, T1 cells correctly predicted diethylstilbestroel, diethylhexylphthalate, acetamides, alkyl halides, ethyl carbamate, and phorbol ester tumour promoters.

  6. Potential mechanism for pentachlorophenol-induced carcinogenicity: a novel mechanism for metal-independent production of hydroxyl radicals.

    Science.gov (United States)

    Zhu, Ben-Zhan; Shan, Guo-Qiang

    2009-06-01

    ,4-benzoquinone (TrCBQ-OOH) intermediate, which decomposes homolytically to produce (*)OH. These findings represent a novel mechanism of (*)OH formation not requiring the involvement of redox-active transition metal ions and may partly explain the potential carcinogenicity of the widely used biocides such as PCP and other polyhalogenated aromatic compounds.

  7. Biological effect markers for exposure to carcinogenic compound and their relevance for risk assessment

    NARCIS (Netherlands)

    Delft, J.H.M. van; Baan, R.A.; Roza, L.

    1998-01-01

    In this review data are summarized on biomarkers that are used for biological effect monitoring of human populations exposed to genotoxic carcinogens. The biomarkers are DNA and protein adducts and cytogenetic effects. Most of these biomarkers are relevant for the process of carcinogenesis. Emphasis

  8. Beryllium: genotoxicity and carcinogenicity.

    Science.gov (United States)

    Gordon, Terry; Bowser, Darlene

    2003-12-10

    Beryllium (Be) has physical-chemical properties, including low density and high tensile strength, which make it useful in the manufacture of products ranging from space shuttles to golf clubs. Despite its utility, a number of standard setting agencies have determined that beryllium is a carcinogen. Only a limited number of studies, however, have addressed the underlying mechanisms of the carcinogenicity and mutagenicity of beryllium. Importantly, mutation and chromosomal aberration assays have yielded somewhat contradictory results for beryllium compounds and whereas bacterial tests were largely negative, mammalian test systems showed evidence of beryllium-induced mutations, chromosomal aberrations, and cell transformation. Although inter-laboratory differences may play a role in the variability observed in genotoxicity assays, it is more likely that the different chemical forms of beryllium have a significant effect on mutagenicity and carcinogenicity. Because workers are predominantly exposed to airborne particles which are generated during the machining of beryllium metal, ceramics, or alloys, testing of the mechanisms of the mutagenic and carcinogenic activity of beryllium should be performed with relevant chemical forms of beryllium.

  9. CHEMICAL COMPOUNDS FOR METAL SHAPING

    Science.gov (United States)

    ALLOYS, *CHEMICAL MILLING, *METALS, *REFRACTORY MATERIALS, AIRCRAFT, ALUMINUM ALLOYS, CARBOXYMETHYLCELLULOSE , CHEMICALS, CHROMIUM ALLOYS, GELS, HEAT...RESISTANT ALLOYS, MATERIALS, MOLYBDENUM ALLOYS, NICKEL ALLOYS, NIOBIUM, POROUS MATERIALS, PROCESSING, PRODUCTION , SOLIDS, SOLUTIONS(MIXTURES), STAINLESS STEEL, STEEL, STRUCTURES, TANTALUM, TITANIUM ALLOYS, VANADIUM ALLOYS.

  10. Waterpipe smoke: source of toxic and carcinogenic VOCs, phenols and heavy metals?

    Science.gov (United States)

    Schubert, Jens; Müller, Frederic D; Schmidt, Roman; Luch, Andreas; Schulz, Thomas G

    2015-11-01

    The use of the waterpipe, a traditional aid for the consumption of tobacco, has spread worldwide and is steadily increasing especially among the youth. On the other hand, there is a lack of knowledge regarding the composition of mainstream waterpipe smoke and the toxicological risks associated with this kind of smoking habit. Using a standardized machine smoking protocol, mainstream waterpipe smoke was generated and further analyzed for twelve volatile organic compounds (VOCs) and eight phenolic compounds by applying gas chromatography-mass spectrometry and reverse-phase high-performance liquid chromatography-fluorescence detection, respectively. Additionally, seventeen elements were analyzed in waterpipe tobacco and charcoal prior to and after smoking, applying inductively coupled plasma-mass spectrometry to assess the maximum exposure of these elements. For the first time ever, we have been able to show that waterpipe mainstream smoke contains high levels of the human carcinogen benzene. Compared with cigarette smoke yields, the levels were 6.2-fold higher, thus representing a significant health hazard for the waterpipe smoker. Furthermore, we found that waterpipe mainstream smoke contains considerable amounts of catechol, hydroquinone and phenol, each of which causing some health concern at least. The analysis of waterpipe tobacco and charcoal revealed that both matrices contained considerable amounts of the toxic elements nickel, cadmium, lead and chromium. Altogether, the data on VOCs, phenols and elements presented in this study clearly point to the health hazards associated with the consumption of tobacco using waterpipes.

  11. Biodegradation of the metallic carcinogen hexavalent chromium Cr(VI) by an indigenously isolated bacterial strain

    National Research Council Canada - National Science Library

    Das, Alok Prasad; Mishra, Susmita

    2010-01-01

    Hexavalent chromium [Cr(VI)], a potential mutagen and carcinogen, is regularly introduced into the environment through diverse anthropogenic activities, including electroplating, leather tanning, and pigment manufacturing...

  12. Carcinogenicity of individual and a mixture of dioxin-like compounds in female Harlan Sprague Dawley rats

    Energy Technology Data Exchange (ETDEWEB)

    Walker, N.; Nyska, A. [National Institute of Environmental Health Sciences, Research Triangle Park, NC (United States); Crockett, P. [Constella Group, Research Triangle Park, NC (US)] (and others)

    2004-09-15

    The human health risk posed by exposure to persistent organochlorine pollutants (POPs), including polychlorinated-dioxins (PCDDs), -furans (PCDFs) and - biphenyls (PCBs), present in the food and the environment is one of widespread concern throughout the industrialized world. The dioxin Toxic Equivalency Factor (TEF) approach is currently the most feasible interim approach for assessing and managing the risk posed by exposure to mixtures of these compounds and has been formally adopted by regulatory bodies in many countries, the International Programme on Chemical Safety and the World Health Organization. The TEF methodology is a relative potency scheme that estimates the total exposure and biological effects of a mixture of chemicals based on a common mechanism of action involving an initial binding of the compound to the Aryl hydrocarbon receptor (AhR). An implicit assumption of the TEF methodology is that the combined risk of effects of the different congeners is dose additive. Therefore, the total dioxin toxic equivalents (TEQs) of a mixture of PCDDs, PCDFs, and PCBs may be estimated by the summation of the mass of each compound in the mixture after adjustment for its potency relative to that of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). While dose additivity is supported for certain mixtures for some biological endpoints in some experimental models, this has never been evaluated for cancer risk. Here we present a summary of four chronic rodent bioassay conducted by the National Toxicology Program (US Department of Health and Human Services) that evaluated the carcinogenicity of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), 3.3',4,4',5- pentachlorobiphenyl (PCB126) and 2,3,4,7,8 pentachlorodibenzofuran (PeCDF) and a mixture of these three dioxin-like compounds in female Harlan Sprague Dawley rats. Data from these studies will be used to test the hypothesis of dose-additivity of carcinogenicity by a defined mixture of dioxin-like compounds.

  13. Potential health effects of exposure to carcinogenic compounds in incense smoke in temple workers.

    Science.gov (United States)

    Navasumrit, Panida; Arayasiri, Manasawee; Hiang, Ohmar May Tin; Leechawengwongs, Manoon; Promvijit, Jeerawan; Choonvisase, Suppachai; Chantchaemsai, Samroeng; Nakngam, Netnapa; Mahidol, Chulabhorn; Ruchirawat, Mathuros

    2008-05-09

    Incense smoke is a potential hazard to human health due to various airborne carcinogens emitted from incense burning. This study aimed to evaluate the potential health effects of exposure to benzene, 1,3-butadiene, and polycyclic aromatic hydrocarbons (PAHs) emitted from incense smoke in temple workers. Exposure and health risks were assessed through the measurement of ambient exposure as well as through the use of biomarkers of exposure and early biological effects. Ambient air measurement showed that incense burning generates significantly higher levels of airborne benzene (Pincense burning may increase health risk for the development of cancer in temple workers.

  14. Implications of non-carcinogenic pah-free extender oils in natural rubber based tire compounds

    NARCIS (Netherlands)

    Petchkaew, A.

    2015-01-01

    The oils are generally added in the rubber compounds to improve processing properties, low temperature properties, dispersion of fillers, and to reduce cost. The conventionally widely used oils in tire compounds are Distillate Aromatic Extract (DAE) oils, which contain a high concentration of Polycy

  15. Mutagenicity, carcinogenicity and teratogenicity of beryllium.

    Science.gov (United States)

    Léonard, A; Lauwerys, R

    1987-07-01

    The carcinogenicity of a number of beryllium compounds has been confirmed in experiments on laboratory animals and this metal has to be treated as a possible carcinogenic threat to man. These carcinogenic properties are associated with mutagenic activity as shown by the results of short-term tests performed in vitro with beryllium chloride and beryllium sulfate. These soluble beryllium compounds can produce some infidelity of in vitro synthesis, forward gene mutations in microorganisms and in mammalian cells. They are also able to induce cell transformation. In addition to the positive results obtained in several short-term assays beryllium compounds have been found to bind to nucleoproteins, to inhibit certain enzymes needed for DNA synthesis, to bind nucleic acids to cell membranes and to inhibit microtubule polymerization. The teratogenicity of beryllium salts is relatively unknown and needs additional investigation.

  16. Heavy metal screening in compounds feeds

    Directory of Open Access Journals (Sweden)

    Tomas Toth

    2015-05-01

    Full Text Available Heavy metals are generally classified as basic groups of pollutants that are now a days found in different environmental compartments. This is quite a large group of contaminants, which have different characteristics, effects on the environment and sources of origin. For environment pose the greatest risks, especially heavy metals produced by anthropogenic activities that adversely affect the health and vitality of organisms and natural environmental conditions. Livestock nutrition is among the main factors which affect not only the deficiency of livestock production and quality of food of animal origin, but they are also a factor affecting the safety and wholesomeness and the animal health. Compound feeds is characterized as a mixture of two or more feed grain. Containing organic, inorganic nutrients and specifically active compound feed meet the nutritional requirements of a given kind and age category of animals. They are used mainly in the diet of pigs, poultry, but also the nutrition of cattle, sheep, horses and other animal categories. The basic ingredients are cereals in proportion of 60-70 %. The aim of this thesis was to analyze the content of hazardous elements (copper, zinc, iron, manganese, cobalt, nickel, chromium, lead, cadmium, mercury in 15 samples of compound feeds and then evaluating their content in comparison with maximum limits laid down by Regulation of the Government of the Slovak Republic and Regulation Commission (EC.

  17. Potent Methyl Oxidation of 5-Methyl-2′-deoxycytidine by Halogenated Quinoid Carcinogens and Hydrogen Peroxide via a Metal-independent Mechanism

    OpenAIRE

    Shao, Jie; Huang, Chun-Hua; Kalyanaraman, Balaraman; Zhu, Ben-Zhan

    2013-01-01

    Halogenated quinones are a class of carcinogenic intermediates and newly identified chlorination disinfection byproducts in drinking water. We found recently that the highly reactive and biologically important hydroxyl radical (•OH) can be produced by halogenated quinones and H2O2 independent of transition metal ions. However, it is not clear whether these quinoid carcinogens and H2O2 can oxidize the nucleoside 5-methyl-2′-deoxycytidine (5mdC) to its methyl oxidation prod...

  18. [Evaluation of occupational exposure to carcinogenic metals in non-ferrous metallurgy in the upper Silesia region].

    Science.gov (United States)

    Braszczyńska, Z; Szaciłło, H; Król, B; Jedrzejczak, A; Smolik, E; Stepniewska, I

    1994-01-01

    The authors present the results of a study of occupational exposure to carcinogenic metals: arsenic, nickel and chromium in four nonferrous plants. Air samples were collected from workplaces of a high potential exposure and measured by GFAAS (graphite flameless atomic absorption spectrometry). On the basis of the results obtained, potential health effects of exposure were assessed by comparing concentrations of arsenic, nickel and chromium with hygienic standard values and assessing cancer risk. It was found that concentrations of arsenic, nickel and chromium, expressed by geometric means, were lower at workplaces than hygienic standard values. A relative cancer risk induced by the occupational exposure to nickel and chromium was comparable with a relative cancer risk of environmental exposure of the population living in the Katowice region while in the case of arsenic, cancer risk was almost 50 times higher.

  19. Cobalt and antimony: genotoxicity and carcinogenicity.

    Science.gov (United States)

    De Boeck, Marlies; Kirsch-Volders, Micheline; Lison, Dominique

    2003-12-10

    The purpose of this review is to summarise the data concerning genotoxicity and carcinogenicity of Co and Sb. Both metals have multiple industrial and/or therapeutical applications, depending on the considered species. Cobalt is used for the production of alloys and hard metal (cemented carbide), diamond polishing, drying agents, pigments and catalysts. Occupational exposure to cobalt may result in adverse health effects in different organs or tissues. Antimony trioxide is primarily used as a flame retardant in rubber, plastics, pigments, adhesives, textiles, and paper. Antimony potassium tartrate has been used worldwide as an anti-shistosomal drug. Pentavalent antimony compounds have been used for the treatment of leishmaniasis. Co(II) ions are genotoxic in vitro and in vivo, and carcinogenic in rodents. Co metal is genotoxic in vitro. Hard metal dust, of which occupational exposure is linked to an increased lung cancer risk, is proven to be genotoxic in vitro and in vivo. Possibly, production of active oxygen species and/or DNA repair inhibition are mechanisms involved. Given the recently provided proof for in vitro and in vivo genotoxic potential of hard metal dust, the mechanistic evidence of elevated production of active oxygen species and the epidemiological data on increased cancer risk, it may be advisable to consider the possibility of a new evaluation by IARC. Both trivalent and pentavalent antimony compounds are generally negative in non-mammalian genotoxicity tests, while mammalian test systems usually give positive results for Sb(III) and negative results for Sb(V) compounds. Assessment of the in vivo potential of Sb2O3 to induce chromosome aberrations (CA) gave conflicting results. Animal carcinogenicity data were concluded sufficient for Sb2O3 by IARC. Human carcinogenicity data is difficult to evaluate given the frequent co-exposure to arsenic. Possible mechanisms of action, including potential to produce active oxygen species and to interfere with

  20. Process for forming a metal compound coating on a substrate

    Science.gov (United States)

    Sharp, D.J.; Vernon, M.E.; Wright, S.A.

    1988-06-29

    A method of coating a substrate with a thin layer of a metal compound by forming a dispersion of an electrophoretically active organic colloid and a precursor of the metal compound in an electrolytic cell in which the substrate is an electrode. Upon application of an electric potential, the electrode is coated with a mixture of the organic colloid and the precursor to the metal compound, and the coated substrate is then heated in the presence of an atmosphere or vacuum to decompose the organic colloid and form a coating of either a combination of metal compound and carbon, or optionally forming a porous metal compound coating by heating to a temperature high enough to chemically react the carbon.

  1. XANES spectra of metal phytate compounds

    Science.gov (United States)

    Metal speciation of phosphate and metal-phosphate interactions can be investigated by molecular-scale X-ray absorption near edge structure (XANES) spectroscopic analysis. Much of the effort, however, has been focused on inorganic P speciation (i. e. metal-orthophosphate interactions). Phytate (inosi...

  2. New Approach for Fractioning Metal Compounds Studies in Soils

    Science.gov (United States)

    Minkina, Tatiana; Motuzova, Galina; Mandzhieva, Saglara; Bauer, Tatiana; Burachevskaya, Marina; Sushkova, Svetlana; Nevidomskaya, Dina; Kalinitchenko, Valeriy

    2016-04-01

    A combined approach for fractioning metal compounds in soils on the basis of sequential (Tessier, 1979) and parallel extractions (1 N NH4Ac, pH 8; 1% EDTA in NH4Ac; and 1N HCl) is proposed. Metal compounds in sequential and parallel extracts are grouped according to the strength of their bonds with soil components. A given group includes metal compounds with similar strengths of bonds and, hence, with similar migration capacities. The groups of firmly and loosely bound metal compounds can be distinguished. This approach has been used to assess the group composition of Zn, Cu, and Pb compounds in an ordinary chernozem and its changes upon the soil contamination with metals. Contamination of an ordinary chernozem from Rostov oblast with heavy metals caused a disturbance of the natural ratios between the metal compounds. In the natural soil, firmly bound metals predominate (88-95%of the total content), which is mainly caused by the fixation of metals in lattices of silicate minerals (56-83%of the total content). The mobility of the metals in the natural soil is low (5-12%) and is mainly related to metal compounds loosely bound with the soil carbonates. Upon the soil contamination with metals (application rates of 100-300 mg/kg), the content of all the metal compounds increases, but the ratio between them shifts towards a higher portion of the potentially mobile metal compounds (up to 30-40% of the bulk contents of the metals). Organic substances and non-silicate Fe, Al, and Mn minerals become the main carriers of the firmly and loosely bound metals. The strengths of their bonds with Cu, Pb, and Zn differ. Lead in the studied chernozems is mainly fixed in a loosely bound form with organic matter, whereas copper and zinc are fixed both by the organic matter and by the non-silicate Fe, Al, and Mn compounds. Firm fixation of the applied Cu and Pb is mainly ensured by the soil organic matter and non-silicate minerals, whereas firm fixation of Zn is mainly due to non

  3. [Biological activity of selenorganic compounds at heavy metal salts intoxication].

    Science.gov (United States)

    Rusetskaya, N Y; Borodulin, V B

    2015-01-01

    Possible mechanisms of the antitoxic action of organoselenium compounds in heavy metal poisoning have been considered. Heavy metal toxicity associated with intensification of free radical oxidation, suppression of the antioxidant system, damage to macromolecules, mitochondria and the genetic material can cause apoptotic cell death or the development of carcinogenesis. Organic selenium compounds are effective antioxidants during heavy metal poisoning; they exhibit higher bioavailability in mammals than inorganic ones and they are able to activate antioxidant defense, bind heavy metal ions and reactive oxygen species formed during metal-induced oxidative stress. One of promising organoselenium compounds is diacetophenonyl selenide (DAPS-25), which is characterized by antioxidant and antitoxic activity, under conditions including heavy metal intoxication.

  4. Food derived carcinogenic amnoimidazoazaarenes

    DEFF Research Database (Denmark)

    Frandsen, Henrik

    Carcinogenic aminoimidazoazaarenes are formed during cooking of meat and fish. Important factors for the formation of these compounds are meat type, cooking temperature and time. The compounds are genotoxic in bacterial and mammalian cells. In animal feeding studies the compounds tested so far we...... of the exocyclic amino group. Estimations of human cancer risk have indicated that ingestion of food containing aminoimidazoazaarenes are of importance....

  5. studies on transition metal complexes of herbicidal compounds. ii

    African Journals Online (AJOL)

    a

    II: TRANSITION METAL COMPLEXES OF DERIVATIZED 2-CHLORO-4- ... Several compounds of this class like atrazine, simazine, prometryn, aziprotryn, etc. .... dissolve in water and most of the common polar organic solvents. ... coordination.

  6. Distribution of selected carcinogenic hydrocarbon and heavy metals in an oil-polluted agriculture zone.

    Science.gov (United States)

    Nwaichi, E O; Wegwu, M O; Nwosu, U L

    2014-12-01

    Owing to the importance of clean and fertile agricultural soil for the continued existence of man, this study investigated the concentrations of total petroleum hydrocarbons (TPHs), polycyclic aromatic hydrocarbons (PAHs) and some heavy metals in soils and selected commonly consumed vegetables and tubers from oil-polluted active agricultural farmland in Gokana of Ogoniland, Rivers State, Nigeria. Samples from Umuchichi, Osisioma Local Government Area in Abia State, Nigeria, a non-oil-polluted area constituted the control. In test and control, up to 3,830 ± 19.6 mgkg(-1) dw and 6,950 ± 68.3 mgkg(-1) dw (exceeding DPR set limits) and 11.3 ± 0.04 mgkg(-1) dw and 186 ± 0.02 mgkg(-1) dw for TPH and PAHs, respectively, were recorded in test soil and plant samples, respectively. Among the metals studied (Pb, Cd, Cr, Mn, Fe and Zn), Pb and Cr uptake exceeded WHO set limits for crops in test samples. Combined sources of pollution were evident from our studies. Bitterleaf and Waterleaf could be tried as bioindicators owing to expressed contaminants uptake pattern.

  7. Smart textile device using ion polymer metal compound.

    Science.gov (United States)

    Nakamura, Taro; Ihara, Tadashi

    2013-01-01

    We have developed a smart textile device that detects angular displacement of attached surface using ion polymer metal compound. The device was composed of ion polymer metal compound (IPMC) which was fabricated from Nafion resin by heat-press and chemical gold plating. The generated voltage from IPMC was measured as a function of bending angle. Fabricated IPMC device was weaved into a cotton cloth and multidirectional movements were detected.

  8. Metal organic frameworks for removal of compounds from a fluid

    KAUST Repository

    Eddaoudi, Mohamed

    2016-03-03

    Embodiments provide a method of compound removal from a fluid. The method includes contacting one or more metal organic framework (MOF) compositions with a fluid and sorbing one or more compounds, such as CO2, H2S and condensable hydrocarbons. One or more of CO2, H2S and condensable hydrocarbons can be sorbed simultaneously or in series. The metal organic framework can be an M-soc-MOF.

  9. Substitution of carcinogenic solvent dichloromethane for the extraction of volatile compounds in a fat-free model food system.

    Science.gov (United States)

    Cayot, Nathalie; Lafarge, Céline; Bou-Maroun, Elias; Cayot, Philippe

    2016-07-22

    Dichloromethane is known as a very efficient solvent, but, as other halogenated solvents, is recognized as a hazardous product (CMR substance). The objective of the present work is to propose substitution solvent for the extraction of volatile compounds. The most important physico-chemical parameters in the choice of an appropriate extraction solvent of volatile compounds are reviewed. Various solvents are selected on this basis and on their hazard characteristics. The selected solvents, safer than dichloromethane, are compared using the extraction efficiency of volatile compounds from a model food product able to interact with volatile compounds. Volatile compounds with different hydrophobicity are used. High extraction yields were positively correlated with high boiling points and high Log Kow values of volatile compounds. Mixtures of solvents such as azeotrope propan-2-one/cyclopentane, azeotrope ethyl acetate/ethanol, and mixture ethyl acetate/ethanol (3:1, v/v) gave higher extraction yields than those obtained with dichloromethane.

  10. Techniques for carcinogenicity studies.

    Science.gov (United States)

    Weisburger, E K

    1981-09-01

    Short-term tests to detect genetic, chromosomal, or DNA damage are now required by regulatory agencies for any new compound proposed for commercial production. Furthermore, full-scale carcinogenicity tests may be required for certain compounds. In this circumstance, the compound-related factors including stability, purity, physical properties, and chemical structure and reactivity must be considered. Animal factors include species and strain of test animal, route of administration, age, sex, diet, and spontaneous tumor incidence. A team of qualified investigators with experience in various disciplines is required to conduct the studies properly. Quality control measures and adherence to the code of good laboratory practice are also necessary during all phases of the study. The investment in a carcinogenicity study therefore becomes fairly substantial in terms of both time and money.

  11. Potent methyl oxidation of 5-methyl-2'-deoxycytidine by halogenated quinoid carcinogens and hydrogen peroxide via a metal-independent mechanism.

    Science.gov (United States)

    Shao, Jie; Huang, Chun-Hua; Kalyanaraman, Balaraman; Zhu, Ben-Zhan

    2013-07-01

    Halogenated quinones are a class of carcinogenic intermediates and are newly identified chlorination disinfection by-products in drinking water. We found recently that the highly reactive and biologically important hydroxyl radical ((•)OH) can be produced by halogenated quinones and H2O2 independent of transition metal ions. However, it is not clear whether these quinoid carcinogens and H2O2 can oxidize the nucleoside 5-methyl-2'-deoxycytidine (5mdC) to its methyl oxidation products and, if so, what the underlying molecular mechanism is. Here we show that three methyl oxidation products, 5-(hydroperoxymethyl)-, 5-(hydroxymethyl)-, and 5-formyl-2'-deoxycytidine, could be produced when 5mdC was treated with tetrachloro-1,4-benzoquinone (TCBQ) and H2O2. The formation of the oxidation products was markedly inhibited by typical (•)OH scavengers and under anaerobic conditions. Analogous effects were observed with other halogenated quinones and the classic Fenton system. Based on these data, we propose that the oxidation of 5mdC by TCBQ/H2O2 might be through the following mechanism: (•)OH produced by TCBQ/H2O2 may first abstract hydrogen from the methyl group of 5mdC, leading to the formation of 5-(2'-deoxycytidylyl)methyl radical, which may combine with O2 to form the peroxyl radical. The unstable peroxyl radical transforms into the corresponding hydroperoxide 5-(hydroperoxymethyl)-2'-deoxycytidine, which reacts with TCBQ and results in the formation of 5-(hydroxymethyl)-2'-deoxycytidine and 5-formyl-2'-deoxycytidine. This is the first report that halogenated quinoid carcinogens and H2O2 can induce potent methyl oxidation of 5mdC via a metal-independent mechanism, which may partly explain their potential carcinogenicity. Copyright © 2013 Elsevier Inc. All rights reserved.

  12. Synthetic routes to the food carcinogen 2 amino-3,8-dimethylimidazo[4,5-f]quinoxaline (8-MeIQx) and related compounds.

    Science.gov (United States)

    Grivas, S

    1995-01-01

    A review of five different routes to the synthesis of the grilled or fried food carcinogen 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (8-MeIQx) and of closely related compounds developed in different laboratories is presented. Interest in the synthesis of these amines began in the late 1970s when the research group led by Professor T. Sugimura (National Cancer Center, Tokyo) detected extremely high mutagenicity in the charred parts of fish and meat that could not be explained only by the presence of polyaromatic hydrocarbons. A number of new mutagenic heterocyclic amines have been detected, isolated and identified since then (de Meester, 1989; Overvik and Gustafsson, 1990; Felton and Knize, 1991; Jägerstad et al., 1991). It is still not entirely clear how these compounds are formed during cooking. For the "IQ-group" of the amines (2-amino-3-methylimidazo-quinoline and -quinoxaline congeners), a formation pathway from Maillard reaction products and creatinine was conceived by Professor K. Olsson (this laboratory) and presented at the 183rd meeting of the American Chemical Society, Las Vegas in 1982 (Jägerstad et al., 1983). However, the amounts of the amines formed during cooking or in model reaction systems are very small. Therefore, efficient and unambiguous synthetic methods yielding the compounds in isomerically pure form are required for reference purposes in analytical work and structure-biological activity studies. For instance, compare the mutagenicity of 4,8- and 5,8-DiMeIQx, and PhIP and its 3-methyl isomer shown on the following page. The pure compounds are also required in large quantities for long-term animal feeding studies. The length of this article does not allow a presentation of the published synthetic methods for all the heterocyclic amines. Therefore, the syntheses of only one of the food mutagens, 8-MeIQx, and some related compounds are presented. This will hopefully demonstrate the sort of problems the organic chemist encounters and some

  13. Proficiency test for heavy metals in compound feed

    NARCIS (Netherlands)

    Pereboom, D.P.K.H.; Elbers, I.J.W.; Jong, de J.; Lee, van der M.K.; Nijs, de W.C.M.

    2016-01-01

    The here described proficiency test for heavy metals in compound feed was organised by RIKILT, Wageningen UR in accordance with ISO 17043. RIKILT Wageningen UR has an ISO/IEC 17043 accreditation for proficiency tests of residues in products of animal origin. However, this specific test is not part

  14. Covalent bonds against magnetism in transition metal compounds.

    Science.gov (United States)

    Streltsov, Sergey V; Khomskii, Daniel I

    2016-09-20

    Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down in many cases, especially in 4d and 5d compounds. We argue that there is an important intersite effect-an orbital-selective formation of covalent metal-metal bonds that leads to an "exclusion" of corresponding electrons from the magnetic subsystem, and thus strongly affects magnetic properties of the system. This effect is especially prominent for noninteger electron number, when it results in suppression of the famous double exchange, the main mechanism of ferromagnetism in transition metal compounds. We study this mechanism analytically and numerically and show that it explains magnetic properties of not only several 4d-5d materials, including Nb2O2F3 and Ba5AlIr2O11, but can also be operative in 3d transition metal oxides, e.g., in CrO2 under pressure. We also discuss the role of spin-orbit coupling on the competition between covalency and magnetism. Our results demonstrate that strong intersite coupling may invalidate the standard single-site starting point for considering magnetism, and can lead to a qualitatively new behavior.

  15. Raman scattering in transition metal compounds: Titanium and compounds of titanium

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, J.; Ederer, D.L.; Shu, T. [Tulane Univ., New Orleans, LA (United States)] [and others

    1997-04-01

    The transition metal compounds form a very interesting and important set of materials. The diversity arises from the many states of ionization the transition elements may take when forming compounds. This variety provides ample opportunity for a large class of materials to have a vast range of electronic and magnetic properties. The x-ray spectroscopy of the transition elements is especially interesting because they have unfilled d bands that are at the bottom of the conduction band with atomic like structure. This group embarked on the systematic study of transition metal sulfides and oxides. As an example of the type of spectra observed in some of these compounds they have chosen to showcase the L{sub II, III} emission and Raman scattering in some titanium compounds obtained by photon excitation.

  16. Development of an analytical method for the simultaneous determination of 15 carcinogenic polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocyclic compounds. application to diesel particulates.

    Science.gov (United States)

    Sauvain, J J; Vu Duc, T; Huynh, C K

    2001-12-01

    A new method enabling the determination of 15 priority carcinogenic polyaromatic compounds (PAC) proposed by the US National Toxicology Program (NTP) has been developed and applied to diesel exhaust particulates (DEP). The clean-up procedure consists of solid-phase extraction (SPE) and HPLC fractionation on silica phases followed by liquid-liquid extraction and chromatography on a polyvinylbenzene copolymer column. The method gives good recoveries for all PAC studied except dibenzo[a,j]acridine and dibenzo[a,h]pyrene, for which recovery values are below 80%. The use of GC-MS ion trap and its capacity to achieve single-ion storage enhanced the sensitivity of the method, enabling the detection of high-molecular-weight PAH in the low ng g(-1) concentration range. Intermediate polarity GC columns, e.g. BPX-50 or equivalent, enabled better separation, when applied to DEP analysis, than the generally used DB-5 apolar phase. This is observed mainly for separation of isomeric compounds belonging to the benzofluoranthene and dibenzopyrene families. The application of this method to DEP sampled from the exhaust of a diesel engine and in confined locations such as a tunnel has shown that all PAH of the NTP list could be detected, except dibenzo[a,h]pyrene. No dibenzacridine or dibenzocarbazole could be detected in such matrices. The method is sufficiently sensitive to be applicable to environmental exposure measurements in occupational health surveys.

  17. Chicken Fetal Liver DNA Damage and Adduct Formation by Activation-Dependent DNA-Reactive Carcinogens and Related Compounds of Several Structural Classes

    OpenAIRE

    2014-01-01

    The chicken egg genotoxicity assay (CEGA), which utilizes the liver of an intact and aseptic embryo-fetal test organism, was evaluated using four activation-dependent DNA-reactive carcinogens and four structurally related less potent carcinogens or non-carcinogens. In the assay, three daily doses of test substances were administered to eggs containing 9–11-day-old fetuses and the fetal livers were assessed for two endpoints, DNA breaks using the alkaline single cell gel electrophoresis (comet...

  18. Carcinogenicity of hair dye components.

    Science.gov (United States)

    Van Duuren, B L

    1980-03-01

    The available animal carcinogenicity data on hair dye components was reviewed. From this review it became clear that certain hair dye components, some of which are still in hair dye formulations now on the market, are animal carcinogens. The compounds of concern that are still in use are: 3-amino-4-methoxyaniline, 2-nitro-4-aminoaniline and 3-nitro-4-hydroxyaniline. Certain azo dyes formerly used, and related compounds still in use, contain the benzidine moiety. Two of these compounds, Direct Blue 6 and Direct Black 38, have been shown to be metabolized in animals to the human carcinogen benzidine. Furthermore, skin absorption studies carried out with radiolabeled hair dye components applied to animal or human skin have conclusively shown that these compounds are systemically absorbed and excreted. Known cocarcinogens such as catechol and pyrogallol, which enhance benzo(a)pyrene carcinogenicity on mouse skin, are used as hair dye components. It is not known whether such compounds will enhance the carcinogenicity of substituted aniline hair dye chemicals. The available epidemiologic data are not sufficient to link hair dye use with an increased incidence in human cancer.

  19. Emissions and air exposure of carcinogens and co-carcinogens in four Nordic countries

    DEFF Research Database (Denmark)

    Fauser, Patrik; Plejdrup, Marlene Schmidt; Ketzel, Matthias;

    . A list of carcinogenic andco-carcinogenic pollutants (particles, heavy metals and organic compounds) emittedfrom energy production, industrial activities, road transport, navigation, agriculture, residential heating and product use was compiled. Pollutant emissions levels for 2010and trends for 1990......This project (KoL 12-08) was performed for the Climate and Air Quality Group (KlimaogLuftgruppen, KoL), Nordic Council of Ministers by atmospheric emission, exposureand epidemiology experts from Denmark, Finland, Norway and Sweden. Emission inventory methods and exposure models were presented...... to 2010 were compiled and discussed, and modelled andmeasured atmospheric concentrations for 2010 were compiled on regional, urbanand local scales. Nordic maps of emissions and air concentrations of PM2.5, PM10, NOx,NMVOC, benzene, BaP, dioxin, cadmium and nickel were compiled for allaggregated main...

  20. Current noise in some transition-metal compounds

    NARCIS (Netherlands)

    Kleinpenning, Th.G.M.

    1972-01-01

    Measurements are reported on current noise in some single crystals of transition-metal compounds, namely: reduced Al-doped rutile (TiO2), Li-doped NiO, Li-doped CoO and Ga-doped CdCr2Se4. Also results obtained with polycrystalline Ga-doped CdCr2Se4 are reported. The current-noise spectra of the mate

  1. Investigations on organogermanium compounds XI. Preparation and structure of trialkylgermyl alkali metal compounds in hexamethylphosphoric triamide (HMPT)

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    In this paper a full report is given of our investigations into the preparation of trialkylgermyl alkali metal compounds. The most satisfactory route to these compounds involves the cleavage of hexaalkyldigermanes with alkali metals in HMPT at room temperature. The structure, thermal stability and

  2. Ionic liquids for extraction of metals and metal containing compounds from communal and industrial waste water.

    Science.gov (United States)

    Fischer, Lisa; Falta, Thomas; Koellensperger, Gunda; Stojanovic, Anja; Kogelnig, Daniel; Galanski, Markus; Krachler, Regina; Keppler, Bernhard K; Hann, Stephan

    2011-10-01

    In a fundamental study the potential of ionic liquids based on quaternary ammonium- and phosphonium cations and thiol-, thioether-, hydroxyl-, carboxylate- and thiocyanate-functionalized anions has been assessed for future application in advanced sewage treatment. The elimination of the metal(oid)s Ag, As, Cd, Cr, Cu, Hg, Ni, Pb, Pt, Sn, Zn and the cancerostatic platinum compounds cisplatin and carboplatin was screened using a liquid phase micro-extraction set-up. The analytical tool-set consisted of ICP-SFMS and LC-ICP-MS for quantification of metal(oid)s and cancerostatic platinum compounds, respectively. The purity of the ILs was assessed for the investigated metal(oid)s on the base of present EU environmental quality standards and was found to be sufficient for the intended use. In model solutions at environmental relevant concentrations extraction efficiencies≥95% could be obtained for Ag, Cu, Hg and Pt with both phosphonium- and ammonium-based ILs bearing sulphur functionality in the form of thiosalicylate and 2-(methylthiobenzoate) anions, as well as with tricaprylmethylammonium thiocyanate within an extraction time of 120 min. All other metals were extracted to a lower extent (7-79%). In the case of cancerostatic platinum compounds a phosphonium-based IL bearing thiosalicylate functionality showed high extraction efficiency for monoaquacisplatin. For the first time, liquid phase micro extraction with ionic liquids was applied to industrial and communal waste water samples. The concentration of all investigated metal(oid)s could be significantly reduced. The degree of elimination varied with the initial concentration of metals, pH and the amount of suspended particulate matter.

  3. Separation of metal chelates and organometallic compounds by SFC and SFE/GC.

    Science.gov (United States)

    Wai, C M; Wang, S

    2000-07-05

    Supercritical fluid chromatography (SFC) combines the high diffusion coefficients of gas chromatography (GC) and the solubility properties of liquid chromatography (LC). SFC generally requires lower temperatures for chromatographic separations and thus is more suitable for analyzing thermally labile compounds including a number of metal chelates and organometallic compounds. SFC also allows interfacing between supercritical fluid extraction (SFE) and chromatographic analysis of metal-containing compounds. A large number of metal chelates and organometallic compounds can be separated by SFC. This article summarizes SFC separation of various chelates of transition metals, heavy metals, lanthanides and actinides as well as organometallic compounds of lead, mercury, and tin reported in the recent literature. This article also discusses SFC detection systems and the determination of solubility of organometallic compounds by SFC.

  4. Thin Films from Solvated Metal Atoms and Metal-Metal Bonded Compounds

    Science.gov (United States)

    1988-07-01

    Departamento de Quimica , Universidad de Con- palladium colloids. cepcion, Casilla 3-C, Concepcion, Chile. (2) Department of Physics. (3) Turkevich, J.; Stevenson... change would be the period before particle stabilization that is important. realized. Indeed, with this procedure the resulting Pd And if metal...case controlled by concentration effects. 21 With palladium we electrophoretic behavior changed markedly, and mea- , invariably obtained particle sizes

  5. Hydrogen Adsorption by Alkali Metal Graphite Intercalation Compounds

    Science.gov (United States)

    Purewal, Justin

    Adsorption occurs whenever a solid surface is exposed to a gas or liquid, and is characterized by an increase in fluid density near the interface. Adsorbents have drawn attention in the current effort to engineer materials that store hydrogen at high densities within moderate temperature and pressure regimes. Carbon adsorbents are a logical choice as a storage material due to their low costs and large surface areas. Unfortunately, carbon adsorbents suffer from a low binding enthalpy for H2 (about 5 kJ mol-1), well below the 15 to 18 kJ mol-1) that is considered optimal for hydrogen storage systems. Binding interactions can be increased by the following methods: (1) adjusting the graphite interplanar separation with a pillared structure, and (2) introducing dopant species that interact with H2 molecules by strong electrostatic forces. Graphite intercalation compounds are a class of materials that contain both pillared structures and chemical dopants, making them an excellent model system for studying the fundamentals of hydrogen adsorption in nanostructured carbons. Pressure-composition-temperature diagrams of the MC24(H 2)x graphite intercalation compounds were measured for M = (K, Rb, Cs). Adsorption enthalpies were measured as a function of H2 concentration. Notably, CsC24 had an average adsorption enthalpy of 14.9 kJ mol-1), nearly three times larger than that of pristine graphite. The adsorption enthalpies were found to be positively correlated with the alkali metal size. Adsorption capacities were negatively correlated with the size of the alkali metal. The rate of adsorption is reduced at large H2 compositions, due to the effects of site-blocking and correlation on the H2 diffusion. The strong binding interaction and pronounced molecular-sieving behavior of KC24 is likely to obstruct the translational diffusion of adsorbed H2 molecules. In this work, the diffusion of H2 adsorbed in KC24 was studied by quasielastic neutron scattering measurements and molecular

  6. Transformation of Heavy Metal Compounds during the Remediation of Contaminated Soils

    Directory of Open Access Journals (Sweden)

    Tatiana Minkina

    2011-03-01

    Full Text Available The effect of ameliorants, chalk, glauconite and semidecomposed cattle manure, on ordinary chernozem contaminated with Zn and Pb was studied in a long-term field experiment. The application of ameliorants significantly decreased the mobility of metals. Their effect depended on the ameliorant and was most significant at the simultaneous application of chalk and manure. This effect was presumably due to the strong binding of metals by carbonates through chemisorption and formation of lowsoluble Zn and Pb compounds and to the additional fixation in the form of complexes at the addition of organic material. The share of loosely bound metal compounds in the contaminated soils decreased to the level typical for the clean soils or even below. The general evolution of the transformation of metal compounds (from less to more firmly bound compounds accelerated by ameliorants remained for both metals.

  7. Titanium coordination compounds: from discrete metal complexes to metal-organic frameworks.

    Science.gov (United States)

    Assi, Hala; Mouchaham, Georges; Steunou, Nathalie; Devic, Thomas; Serre, Christian

    2017-06-06

    Owing to their promise in photocatalysis and optoelectronics, titanium based metal-organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still "unpredictable" reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

  8. Metallization and packaging of compound semiconductor devices at Sandia National Laboratories

    Energy Technology Data Exchange (ETDEWEB)

    Seigal, P.K.; Armendariz, M.G.; Rieger, D.J.; Lear, K.L.; Sullivan, C.T.

    1996-11-01

    Recent advances in compound semiconductor technology utilize a variety of metal thin films fabricated by thermal and electron-beam evaporation, and electroplating. An overview of metal processes used by Sandia`s Compound Semiconductor Research Laboratory is presented. Descriptions of electrical n-type and p-type ohmic contact alloys, interconnect metal, and metal layers specifically included for packaging requirements are addressed. Several illustrations of devices incorporating gold plated air bridges are included. ``Back-end`` processes such as flip-chip under bump metallurgy with fluxless solder reflow and plated solder processes are mentioned as current research areas.

  9. Half-metallic ferromagnetism in the CsSe compound by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Karaca, Mustafa; Kervan, Selçuk; Kervan, Nazmiye, E-mail: nkervan@gazi.edu.tr

    2015-08-05

    Graphical abstract: The ferromagnetic ground state of the CsSe compound is the most stable with CsCl-type structure with a total magnetic moment of 1 μ{sub B}/f.u. although this compound does not include transition metal atoms. The CsSe compound is half-metallic ferromagnet with a half-metallic band gap of 3.75 eV. The half-metallicity is also found to be robust with respect to the lattice distortion in the CsCl-type structure. The Curie temperature is estimated to be 390 K in the mean field approximation (MFA). - Highlights: • The CsSe compound is the most stable with CsCl-type structure. • The half-metallic band gap is about 3.5 eV for all types of structure. • The total magnetic moment is of 1 μ{sub B}/f.u. • The Curie temperature is estimated to be 390 K. - Abstract: The full-potential linearized augmented plane wave (FPLAPW) method based on the density functional theory is used to investigate the structural, magnetic and half-metallic properties of the CsSe compound in the CsCl-type, NaCl-type, ZnS-type, NiAs-type and wurtzite structures. The results show that the ferromagnetic ground state of the CsSe compound is the most stable with CsCl-type structure with a total magnetic moment of 1 μ{sub B}/f.u. although this compound does not include transition metal atoms. The CsSe compound is half-metallic ferromagnet for all types of structure. The half-metallic band gap is about 3.5 eV for all types of structure. The Curie temperature is estimated to be 390 K in the mean field approximation (MFA)

  10. Selective retention of basic compounds by metal aquo-ion affinity chromatography.

    Science.gov (United States)

    Asakawa, Yoshiki; Yamamoto, Eiichi; Asakawa, Naoki

    2014-10-01

    A novel metal aquo-ion affinity chromatography has been developed for the analysis of basic compounds using heat-treated silica gel containing hydrated metal cations (metal aquo-ions) as the packing material. The packing materials of the metal aquo-ion affinity chromatography were prepared by the immobilization of a single metal component such as Fe(III), Al(III), Ag(I), and Ni(II) on silica gel followed by extensive heat treatment. The immobilized metals form aquo-ions to present cation-exchange ability for basic analytes and the cation-exchange ability for basic analytes depends on pKa of the immobilized metal species. In the present study, to evaluate the retention characteristics of metal aquo-ion affinity chromatography, the on-line solid-phase extraction of drugs was investigated. Obtained data clearly evidence the selective retention capability of metal aquo-ion affinity chromatography for basic analytes with sufficient capacity.

  11. Structurally defined allyl compounds of main group metals: coordination and reactivity.

    Science.gov (United States)

    Lichtenberg, Crispin; Okuda, Jun

    2013-05-10

    Organometallic allyl compounds are important as allylation reagents in organic synthesis, as polymerization catalysts, and as volatile metal precursors in material science. Whereas the allyl chemistry of synthetically relevant transition metals such as palladium and of the lanthanoids is well-established, that of main group metals has been lagging behind. Recent progress on allyl complexes of Groups 1, 2, and 12-16 now provides a more complete picture. This is based on a fundamental understanding of metal-allyl bonding interactions in solution and in the solid state. Furthermore, reactivity trends have been rationalized and new types of allyl-specific reactivity patterns have been uncovered. Key features include 1) the exploitation of the different types of metal-allyl bonding (highly ionic to predominantly covalent), 2) the use of synergistic effects in heterobimetallic compounds, and 3) the adjustment of Lewis acidity by variation of the charge of allyl compounds.

  12. Metal-Element Compounds of Titanium, Zirconium, and Hafnium as Pyrotechnic Fuels

    Science.gov (United States)

    2015-05-04

    1-11 1 METAL-ELEMENT COMPOUNDS OF TITANIUM, ZIRCONIUM , AND HAFNIUM AS PYROTECHNIC FUELS Anthony P. Shaw,* Rajendra K. Sadangi, Jay C...have started to explore the pyrotechnic properties of other inorganic compounds, particularly those of titanium, zirconium , and hafnium. The...The group 4 metals—titanium, zirconium , and hafnium—are potent pyrotechnic fuels. However, the metals themselves are often pyrophoric as fine

  13. PEROXOTITANATE- AND MONOSODIUM METAL-TITANATE COMPOUNDS AS INHIBITORS OF BACTERIAL GROWTH

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, D.

    2011-01-19

    Sodium titanates are ion-exchange materials that effectively bind a variety of metal ions over a wide pH range. Sodium titanates alone have no known adverse biological effects but metal-exchanged titanates (or metal titanates) can deliver metal ions to mammalian cells to alter cell processes in vitro. In this work, we test a hypothesis that metal-titanate compounds inhibit bacterial growth; demonstration of this principle is one prerequisite to developing metal-based, titanate-delivered antibacterial agents. Focusing initially on oral diseases, we exposed five species of oral bacteria to titanates for 24 h, with or without loading of Au(III), Pd(II), Pt(II), and Pt(IV), and measuring bacterial growth in planktonic assays through increases in optical density. In each experiment, bacterial growth was compared with control cultures of titanates or bacteria alone. We observed no suppression of bacterial growth by the sodium titanates alone, but significant (p < 0.05, two-sided t-tests) suppression was observed with metal-titanate compounds, particularly Au(III)-titanates, but with other metal titanates as well. Growth inhibition ranged from 15 to 100% depending on the metal ion and bacterial species involved. Furthermore, in specific cases, the titanates inhibited bacterial growth 5- to 375-fold versus metal ions alone, suggesting that titanates enhanced metal-bacteria interactions. This work supports further development of metal titanates as a novel class of antibacterials.

  14. Development and characterization of diamond film and compound metal surface high current photocathodes

    Energy Technology Data Exchange (ETDEWEB)

    Shurter, R.P.; Moir, D.C.; Devlin, D.J.; Springer, R.W.; Archuleta, T.A.

    1997-09-01

    High current photocathodes operating in vacuum environments as high as 8xE-5 torr are being developed at Los Alamos for use in a new generation of linear induction accelerators. We report quantum efficiencies in wide bandgap semiconductors, pure metals, and compound metal surfaces photocathode materials illuminated by ultraviolet laser radiation.

  15. Electronic Structure and Geometries of Small Compound Metal Clusters

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-04-14

    During the tenure of the DOE grant DE-FG05-87EI145316 we have concentrated on equilibrium geometries, stability, and the electronic structure of transition metal-carbon clusters (met-cars), clusters designed to mimic the chemistry of atoms, and reactivity of homo-nuclear metal clusters and ions with various reactant molecules. It is difficult to describe all the research the authors have accomplished as they have published 38 papers. In this report, they outline briefly the salient features of their work on the following topics: (1) Designer Clusters: Building Blocks for a New Class of Solids; (2) Atomic Structure, Stability, and Electronic Properties of Metallo-Carbohedrenes; (3) Reactivity of Metal Clusters with H{sub 2} and NO; and (4) Anomalous Spectroscopy of Li{sub 4} Clusters.

  16. Electronic Structure and Geometries of Small Compound Metal Clusters

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-04-14

    During the tenure of the DOE grant DE-FG05-87EI145316 we have concentrated on equilibrium geometries, stability, and the electronic structure of transition metal-carbon clusters (met-cars), clusters designed to mimic the chemistry of atoms, and reactivity of homo-nuclear metal clusters and ions with various reactant molecules. It is difficult to describe all the research the authors have accomplished as they have published 38 papers. In this report, they outline briefly the salient features of their work on the following topics: (1) Designer Clusters: Building Blocks for a New Class of Solids; (2) Atomic Structure, Stability, and Electronic Properties of Metallo-Carbohedrenes; (3) Reactivity of Metal Clusters with H{sub 2} and NO; and (4) Anomalous Spectroscopy of Li{sub 4} Clusters.

  17. Single crystal growth of europium and ytterbium based intermetallic compounds using metal flux technique

    Indian Academy of Sciences (India)

    Sumanta Sarkar; Sebastian C Peter

    2012-11-01

    This article covers the use of indium as a potential metal solvent for the crystal growth of europium and ytterbium-based intermetallic compounds. A brief view about the advantage of metal flux technique and the use of indium as reactive and non-reactive flux are outlined. Large single crystals of EuGe2, EuCoGe3 and Yb2AuGe3 compounds were obtained in high yield from the reactions of the elements in liquid indium. The results presented here demonstrate that considerable advances in the discovery of single crystal growth of complex phases are achievable utilizing molten metals as solvents.

  18. The Systematic Study of the Organotransition Metal Compounds.

    Science.gov (United States)

    Carriedo, Gabino A.

    1990-01-01

    Discussed is an extension of the conventional method for studying the organometallic chemistry of transition metals that may be useful to show how the various existing types of low-valence complexes can be constructed. This method allows students to design new types of complexes that may still be nonexistent. (CW)

  19. Prediction of reduction potentials from calculated electron affinities for metal-salen compounds

    Directory of Open Access Journals (Sweden)

    Sarah B. Bateni

    2009-12-01

    Full Text Available The electron affinities (EAs of a training set of 19 metal-salen compounds were calculated using density functional theory. Concurrently, the experimental reduction potentials for the training set were measured using cyclic voltammetry. The EAs and reduction potentials were found to be linearly correlated by metal. The reduction potentials of a test set of 14 different metal-salens were then measured and compared to the predicted reduction potentials based upon the training set correlation. The method was found to work well, with a mean unsigned error of 99 mV for the entire test set. This method could be used to predict the reduction potentials of a variety of metal-salen compounds, an important class of coordination compounds used in synthetic organic electrochemistry as electrocatalysts.

  20. Electron correlations in transition metal-telluride cluster compounds

    NARCIS (Netherlands)

    Palstra, T.T.M.; Steigerwald, M.L.; Ramirez, A.P.; Zaanen, J.

    1994-01-01

    We report the magnetic properties of a new class of materials: Ni9Te6n+ and Co6Te8n+ with n = 0, 1, 2. These cluster compounds, which can be charged by chemical means from neutral to 2 +, provide a unique and novel way to change the Fermi level. For most charge states, we observe quenching of the

  1. [Leather azo dyes: mutagenic and carcinogenic risks].

    Science.gov (United States)

    Clonfero, E; Venier, P; Granella, M; Levis, A G

    1990-01-01

    The paper reviews the carcinogenicity and mutagenicity data on azo dyes used in the leather industry. Two water soluble benzidine-based dyes were classified as "probably carcinogenic to humans" by the International Agency for Research on Cancer (IARC). No other dyes have been evaluated by the IARC. Of the 48 azo dyes assayed in the Salmonella/microsome test, 20 gave positive results. Attention is drawn to the important role of the in vivo metabolism of azo compounds, which includes a preliminary reduction of the azo bonds and subsequent release of the aromatic amines of the dye. A useful assay (Prival test) for evaluating the mutagenic properties of azo dyes involves a reductive step that permits the release of any genotoxic agents present in the compounds. A list of leather azo dyes is furnished that are considered as potentially harmful due to the presence of a carcinogenic aromatic amine (benzidine, p-aminobenzene and derivatives) in their formulae.

  2. An analysis of the Gene-Tox Carcinogen Data Base.

    Science.gov (United States)

    Nesnow, S; Bergman, H

    1988-01-01

    The Gene-Tox Carcinogen Data Base is an evaluated source of cancer data on 506 chemicals selected in part for their previous assessment in genetic toxicology bioassays. This data base has been analyzed for the distribution of these chemicals into chemical classes. The major chemical classes (6% or greater of the total data base) are: acyl-, alkyl-, and aryl-halides; alcohols and phenols; aliphatic and aromatic amines, amides, and sulfonamides; benzene-ring-containing chemicals; organo-lead, -mercury, -phosphorous compounds, metals and derivatives, phosphoric acid esters, and phosphoramides; and polycyclic aromatic hydrocarbons. Cancer studies representing a subset of the Gene-Tox Carcinogen Data Base, 199 chemicals which were rated as Sufficient Positive/Negative or Limited Positive/Negative, were examined for distribution of those studies by animal species, gender, route of chemical administration, duration of study, major tumor sites, and major tumor types. These analyses revealed that the Gene-Tox Carcinogen Data Base contains a large number of lifetime studies involving the rat and mouse treated by oral routes of administration. The major organs that were targets were: liver, lung, skin, forestomach, bladder, and mammary gland, while the major tumor types were: carcinoma, sarcoma, papilloma, and adenoma. Chemicals in the data base have been assessed for species-specific carcinogenic effects, and these results indicate that for mice and rats there is a high correspondence (85%). This number is higher than that (71%) reported by Tennant et al. (1986) based on the recent results of 72 chronic cancer bioassays performed by the National Toxicology Program. This difference is probably based on the nature of the chemicals selected for inclusion in both data bases. Although the absolute value of this correspondence is unknown, it would seem to be within this range. When chemicals in the Gene-Tox Carcinogen Data Base were examined for their previous evaluation in 73

  3. S-S bond reactivity in metal-perthiocarboxylato compounds.

    Science.gov (United States)

    Mas-Ballesté, Rubén; Guijarro, Alejandro; González-Prieto, Rodrigo; Castillo, Oscar; Sanz Miguel, Pablo J; Zamora, Félix

    2010-02-14

    While M-percarboxylato species are elusive intermediates, their sulfur containing analogues are known in some cases. The feasibility of isolation of M-perthioacetato compounds allowed, in this work, to obtain new insights into the pathways that follow the reactivity of M-E-ER (E = O, S) fragments. Herein we report on the isolation of two new M-perthioacetato compounds: trans-[Pt(CH(3)CS(2)S)(2)] () and [Ni(CH(3)CSS)(CH(3)CS(2)S)] (), which have been fully characterized, including X-ray structures. Reactivity of these compounds towards PPh(3) has been studied combining UV-vis monitorization and NMR measurements. Overall the accumulated data suggest that the evolution of the perthioacetato ligand in complexes and by reaction with PPh(3) consists of a complex multistep pathway in which the sulfur transfer is preceded by electron transfer. Cyclic voltammetry measurements indicate that the transference of two electrons from the phosphorus to the sulfur atom is not concerted, suggesting that the first step of the reaction with PPh(3) is the monoelectronic electron transfer followed by P-S bond formation. The results presented here show a novel pathway in the field of S-S bond reactivity processes relevant in biological, synthetic systems and in hydrocarbon desulfurization processes.

  4. Carbon based secondary compounds do not provide protection against heavy metal road pollutants in epiphytic macrolichens.

    Science.gov (United States)

    Gauslaa, Yngvar; Yemets, Olena A; Asplund, Johan; Solhaug, Knut Asbjørn

    2016-01-15

    Lichens are useful monitoring organisms for heavy metal pollution. They are high in carbon based secondary compounds (CBSCs) among which some may chelate heavy metals and thus increase metal accumulation. This study quantifies CBSCs in four epiphytic lichens transplanted for 6months on stands along transects from a highway in southern Norway to search for relationships between concentrations of heavy metals and CBSCs along a gradient in heavy metal pollutants. Viability parameters and concentrations of 21 elements including nutrients and heavy metals in these lichen samples were reported in a separate paper. Medullary CBSCs in fruticose lichens (Ramalina farinacea, Usnea dasypoga) were reduced in the most polluted sites, but not in foliose ones (Parmelia sulcata, Lobaria pulmonaria), whereas cortical CBSC did not change with distance from the road in any species. Strong positive correlations only occurred between the major medullary compound stictic acid present in L. pulmonaria and most heavy metals, consistent with a chelating role of stictic acid, but not of other studied CBSCs or in other species. However, heavy metal chelating did not protect L. pulmonaria against damage because this species experienced the strongest reduction in viability in the polluted sites. CBSCs with an accumulation potential for heavy metals should be quantified in lichen biomonitoring studies of heavy metals because they, like stictic acid, could overshadow pollutant inputs in some species rendering biomonitoring data less useful. In the two fruticose lichen species, CBSCs decreased with increasing heavy metal concentration, probably because heavy metal exposure impaired secondary metabolism. Thus, we found no support for a heavy metal protection role of any CBSCs in studied epiphytic lichens. No intraspecific relationships occurred between CBSCs versus N or C/N-ratio. Interspecifically, medullary CBSCs decreased and cortical CBSCs increased with increasing C/N-ratio.

  5. Synthesis and characterization of graphite-metal fluoride intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    McQuillan, B.W.

    1981-04-01

    The compound C/sub x/AsF/sub 5/ was prepared and characterized by x-ray diffraction and x-ray absorption, which show the presence of As(III) and As(V), and the As-F bond distances are consistent with AsF/sub 3/ and AsF/sup -//sub 6/, C/sup +//sub 8/AsF/sup -//sub 6/ and C/sup +//sub 8/OsF/sup -//sub 6/ were synthesized. The C/sub x/AsF/sub 6/ and numerous standard arsenic-flourine compounds were studied by x-ray absorption. Magnetic susceptibility of C/sup +//sub 8/OsF/sup -//sub 6/ confirms the high degree of oxidation in this compound. X-ray absorption studies were begun to determine the species present within the graphite when BrF/sub 3/ or GeF/sub 4/ + F/sub 2/ are added. In the BrF/sub 3/ case, Br/sub 2/ is evolved and only Br(III) is present in the graphite. The binary phase diagram XeF/sub 2/:Xe/sup +//sub 5/AsF/sup -//sub 6/ was investigated by melting point determination and Raman spectroscopy. This mixture near 1.3:1 forms a kinetically stable glass at room temperature and is molten at 50/sup 0/C. Several new species or phases are observed in the Raman spectra. These species have been assigned tentative structures.

  6. METALLIC COMPOUNDS IN THE PHASE OF THE RETICULATED IONIC POLYMERS

    Directory of Open Access Journals (Sweden)

    Vasilii Gutsanu

    2010-12-01

    Full Text Available Using the Mossbauer spectroscopy and other physical methods it was demonstrated the presence of different iron compounds like β-FeOOH, α-Fe2O3, and jarosite mineral type compounds: (R4N,H3O[Fe3(OH6(SO42] or coordination modes: {RCOO-Fe(L4-OOCR}1+, {R-CO2=Fe(X2=O2C-R}n, {R-COO-Fe(X4-OOC-R}n, and {(-NCH2CH2N-= Fe(X2 =(-NCH2CH2N-}, where X= H2O, OH-, SO42-., n= from 3- to 1+ in the ion-exchange resins (KU-2, AN-31, AV-17, Varian – AD, EDE-10P after the contact with sulphate of iron(III solutions at different conditions: type of solvent, temperature, air atmosphere. In special conditions the ultrafine superparamagnetic particles of Fe2O3 have been obtained

  7. Modeling of Intermetallic Compounds Growth Between Dissimilar Metals

    Science.gov (United States)

    Wang, Li; Wang, Yin; Prangnell, Philip; Robson, Joseph

    2015-09-01

    A model has been developed to predict growth kinetics of the intermetallic phases (IMCs) formed in a reactive diffusion couple between two metals for the case where multiple IMC phases are observed. The model explicitly accounts for the effect of grain boundary diffusion through the IMC layer, and can thus be used to explore the effect of IMC grain size on the thickening of the reaction layer. The model has been applied to the industrially important case of aluminum to magnesium alloy diffusion couples in which several different IMC phases are possible. It is demonstrated that there is a transition from grain boundary-dominated diffusion to lattice-dominated diffusion at a critical grain size, which is different for each IMC phase. The varying contribution of grain boundary diffusion to the overall thickening kinetics with changing grain size helps explain the large scatter in thickening kinetics reported for diffusion couples produced under different conditions.

  8. The assessment of mobility of heavy metals in technogenic soils by the combined approach for fractioning metal compounds

    Science.gov (United States)

    Minkina, Tatiana; Motuzova, Galina; Mandzhieva, Saglara; Burachevskaya, Marina; Nazarenko, Olga; Nevidomskaya, Dina

    2013-04-01

    Introduction. Analysis of the fractional composition of heavy metals (HMs) compounds can reveal zonal and genetic features of soils and how natural and technogenic factors affect them. The aim of this work was to assess the state of HMs in soils subjected aerosol emissions from the Novocherkassk power station (NPS) on the basis of the fractional composition of their compounds. The emissions from the NPS comprise 1% of the total volume in the Russian Federation and up to 58% of the emissions in Rostov oblast. Materials and methods. Studies were conducted on the soils of monitoring plots distances from the NPS (1.0-20.0 km). The monitoring plots were located on fallow areas. Soil samples for the determination of soil properties and the contents of HM compounds were taken from a depth of 0-20 cm. The soil cover in the region under study consisted of ordinary chernozems, meadow-chernozemic soils, and alluvial meadow soils. The total amount of HMs in soils was determined by X-ray fluorescence. Metals in soil extracts were determined by atomic absorption spectroscopy. The fractional composition of HM were determined using combined fractionation (Minkina et al., 2008). A combined approach for fractioning metal compounds in soils on the basis of sequential (Tessier, 1979) and parallel extractions (1 N NH4Ac, pH 8; 1% EDTA in NH4Ac; and 1 N HCl). Results and discussion. The increasing of total content in soils of metals connected with technogenic emissions. In the contaminated soils, the increase in the total metal content is accompanied by changes in the proportions of metal compounds. In contrast to clean soils, where the metals strongly retained in the structure of silicate minerals are predominant (48-78% of the total amount), the content of LB metal compounds increases in the contaminated soils. The rise of metals mobility in the polluted soils and predominant participation of Cu, Pb, Mn, Cr and Ni organomineral complexes among their mobile species. The increasing of

  9. Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study

    Directory of Open Access Journals (Sweden)

    Jerzy Leszczynski

    2002-07-01

    Full Text Available Abstract: The initial reduction steps of nitroaromatic compounds on the surface of metallic iron have been studied theoretically using nitrobenzene (NB as a representative of nitroaromatic compounds. The quantum chemical cluster approximation within the semiempirical Neglect of Diatomic Differential Overlap for Metal Compounds method was applied to model the Fe(110 crystallographic surface, taken as a representative reactive surface for granular iron. This surface was modeled as a 39-atom two-layer metal cluster with rigid geometry. The associative and dissociative adsorption of nitrobenzene was considered. Based on our quantum chemical analysis, we suggest that the direct electron donation from the metal surface into the π* orbital of NB is a decisive factor responsible for subsequent transformation of the nitro group. Molecularly adsorbed NB interacts with metal iron exclusively through nitro moiety oxygens which occupy tri-coordinated positions on surface The charge transfer from metal to NB of approximately 2 atomic units destablizes the nitro group. As a result, the first dissociation of the N-O bond goes through a relatively low activation barrier. The adsorbed nitrosobenzene is predicted to be a stable surface species, though still quiet labile.

  10. Metal-chelating compounds produced by ectomycorrhizal fungi collected from pine plantations.

    Science.gov (United States)

    Machuca, A; Pereira, G; Aguiar, A; Milagres, A M F

    2007-01-01

    To investigate the in vitro production of metal-chelating compounds by ectomycorrhizal fungi collected from pine plantations in southern Chile. Scleroderma verrucosum, Suillus luteus and two isolates of Rhizopogon luteolus were grown in solid and liquid modified Melin-Norkans (MMN) media with and without iron addition and the production of iron-chelating compounds was determined by Chrome Azurol S (CAS) assay. The presence of hydroxamate and catecholate-type compounds and organic acids was also investigated in liquid medium. All isolates produced iron-chelating compounds as detected by CAS assay, and catecholates, hydroxamates as well as oxalic, citric and succinic acids were also detected in all fungal cultures. Scleroderma verrucosum produced the greatest amounts of catecholates and hydroxamates whereas the highest amounts of organic acids were detected in S. luteus. Nevertheless, the highest catecholate, hydroxamate and organic acid concentrations did not correlate with the highest CAS reaction which was observed in R. luteolus (Yum isolate). Ectomycorrhizal fungi produced a variety of metal-chelating compounds when grown in liquid MMN medium. However, the addition of iron to all fungi cultures reduced the CAS reaction, hydroxamate and organic acid concentrations. Catecholate production was affected differently by iron, depending on the fungal isolate. The ectomycorrhizal fungi described in this study have never been reported to produce metal-chelating compound production. Moreover, apart from some wood-rotting fungi, this is the first evidence of the presence of catecholates in R. luteolus, S. luteus and S. verrucosum cultures.

  11. In Silico Methods for Carcinogenicity Assessment.

    Science.gov (United States)

    Golbamaki, Azadi; Benfenati, Emilio

    2016-01-01

    Screening compounds for potential carcinogenicity is of major importance for prevention of environmentally induced cancers. A large sequence of alternative predictive models, ranging from short-term biological assays (e.g. mutagenicity tests) to theoretical models, have been attempted in this field. Theoretical approaches such as (Q)SAR are highly desirable for identifying carcinogens, since they actively promote the replacement, reduction, and refinement of animal tests. This chapter reports and describes some of the most noted (Q)SAR models based on the human expert knowledge and statistically approach, aiming at predicting the carcinogenicity of chemicals. Additionally, the performance of the selected models has been evaluated and the results are interpreted in details by applying these prediction models to some pharmaceutical molecules.

  12. A study on compound contents for plastic injection molding products of metallic resin pigment

    Energy Technology Data Exchange (ETDEWEB)

    Park, Young Whan; Kwak, Jae Seob [Dept. of Mechanical Engineering, Pukyong National University, Busan (Korea, Republic of); Lee, Gyu Sang [Alliance Molding Engineering TeamLG Electronics Inc., Osan (Korea, Republic of)

    2016-12-15

    Injection molding process is widely used for producing most plastic products. In order to make a metal-colored plastic product especially in modern luxury home alliances, metallic pigments which are mixed to a basic resin material for injection molding are available. However, the process control for the metal-colored plastic product is extremely difficult due to non-uniform melt flow of the metallic resin pigments. To improve the process efficiency, a rapid mold cooling method by a compressed cryogenic fluid and electricity mold are also proposed to decrease undesired compound contents within a molded plastic product. In this study, a quality of the metal-colored plastic product is evaluated with process parameters; injection speed, injection pressure, and pigment contents, and an influence of the rapid cooling and heating system is demonstrated.

  13. A standardized evaluation of artifacts from metallic compounds during fast MR imaging

    DEFF Research Database (Denmark)

    Murakami, Shumei; Verdonschot, Rinus G; Kataoka, Miyoshi

    2016-01-01

    OBJECTIVE: Metallic compounds present in the oral and maxillofacial regions (OMR) cause large artifacts during MR scanning. We quantitatively assessed these artifacts embedded within a phantom according to standards set by the American Society for Testing and Materials (ASTM). MATERIALS AND METHO...

  14. Development and Characterization of Diamond Film and Compound Metal Surface High Current Photocathodes

    Science.gov (United States)

    Shurter, R. P.; Moir, D. C.; Shurter, R. P.; Moir, D. C.

    1997-05-01

    High current photocathodes operating in vacuum environments as high as 10-5 torr are being developed at Los Alamos for use in a new generation of linear induction accelerators. We report high quantum efficiencies and high current densities in wide bandgap semiconductor and compound metal surface thermally augmented photocathode materials illuminated by ultraviolet laser radiation.

  15. Technologies for Extracting Valuable Metals and Compounds from Geothermal Fluids

    Energy Technology Data Exchange (ETDEWEB)

    Harrison, Stephen [SIMBOL Materials

    2014-04-30

    Executive Summary Simbol Materials studied various methods of extracting valuable minerals from geothermal brines in the Imperial Valley of California, focusing on the extraction of lithium, manganese, zinc and potassium. New methods were explored for managing the potential impact of silica fouling on mineral extraction equipment, and for converting silica management by-products into commercial products.` Studies at the laboratory and bench scale focused on manganese, zinc and potassium extraction and the conversion of silica management by-products into valuable commercial products. The processes for extracting lithium and producing lithium carbonate and lithium hydroxide products were developed at the laboratory scale and scaled up to pilot-scale. Several sorbents designed to extract lithium as lithium chloride from geothermal brine were developed at the laboratory scale and subsequently scaled-up for testing in the lithium extraction pilot plant. Lithium The results of the lithium studies generated the confidence for Simbol to scale its process to commercial operation. The key steps of the process were demonstrated during its development at pilot scale: 1. Silica management. 2. Lithium extraction. 3. Purification. 4. Concentration. 5. Conversion into lithium hydroxide and lithium carbonate products. Results show that greater than 95% of the lithium can be extracted from geothermal brine as lithium chloride, and that the chemical yield in converting lithium chloride to lithium hydroxide and lithium carbonate products is greater than 90%. The product purity produced from the process is consistent with battery grade lithium carbonate and lithium hydroxide. Manganese and zinc Processes for the extraction of zinc and manganese from geothermal brine were developed. It was shown that they could be converted into zinc metal and electrolytic manganese dioxide after purification. These processes were evaluated for their economic potential, and at the present time Simbol

  16. Cytotoxicity of dust constituents towards alveolar macrophages: interactions of heavy metal compounds.

    Science.gov (United States)

    Geertz, R; Gulyas, H; Gercken, G

    1994-01-26

    The interactions between different heavy metal compounds which affect their cytotoxicity towards rabbit alveolar macrophages were investigated. The cells were exposed in vitro to combinations of As3+, Cd2+, Hg2+, Ni2+, or V5+ with different concentrations of another heavy metal compound. Toxicity was determined as the depression of zymosan-induced release of superoxide anion radicals. Significant antagonisms occurred in the combinations Cd2+/Zn2+, Hg2+/As3+, and Hg2+/Se4+, while significant synergisms were exhibited by the combinations Cd2+/Cu2+, Cd2+/Sn2+, Hg2+/Cu2+, Ni2+/Cd2+, Ni2+/Cu2+, Ni2+/Sn2+ and V5+/Cu2+. In the combinations As3+/Zn2+, Hg2+/Cd2+ and Hg2+/Zn2+, both kinds of interactions were observed depending on the concentrations of the heavy metal compounds. An interpretation of the measured heavy metal interactions with reference to the toxicity of heavy metal-containing dusts is attempted.

  17. Biological metals and metal-targeting compounds in major neurodegenerative diseases.

    Science.gov (United States)

    Barnham, Kevin J; Bush, Ashley I

    2014-10-01

    Multiple abnormalities occur in the homeostasis of essential endogenous brain biometals in age-related neurodegenerative disorders, Alzheimer's disease, Parkinson's disease, Huntington's disease and amyotrophic lateral sclerosis. As a result, metals both accumulate in microscopic proteinopathies, and can be deficient in cells or cellular compartments. Therefore, bulk measurement of metal content in brain tissue samples reveal only the "tip of the iceberg", with most of the important changes occurring on a microscopic and biochemical level. Each of the major proteins implicated in these disorders interacts with biological transition metals. Tau and the amyloid protein precursor have important roles in normal neuronal iron homeostasis. Changes in metal distribution, cellular deficiencies, or sequestration in proteinopathies all present abnormalities that can be corrected in animal models by small molecules. These biochemical targets are more complex than the simple excess of metals that are targeted by chelators. In this review we illustrate some of the richness in the science that has developed in the study of metals in neurodegeneration, and explore its novel pharmacology.

  18. Adsorption of volatile organic compounds in porous metal-organic frameworks functionalized by polyoxometalates

    Science.gov (United States)

    Ma, Feng-Ji; Liu, Shu-Xia; Liang, Da-Dong; Ren, Guo-Jian; Wei, Feng; Chen, Ya-Guang; Su, Zhong-Min

    2011-11-01

    The functionalization of porous metal-organic frameworks (Cu 3( BTC) 2) was achieved by incorporating Keggin-type polyoxometalates (POMs), and further optimized via alkali metal ion-exchange. In addition to thermal gravimetric analysis, IR, single-crystal X-ray diffraction, and powder X-ray diffraction, the adsorption properties were characterized by N 2 and volatile organic compounds (VOCs) adsorption measurements, including short-chain alcohols ( C<4), cyclohexane, benzene, and toluene. The adsorption enthalpies estimated by the modified Clausius-Clapeyron equation provided insight into the impact of POMs and alkali metal cations on the adsorption of VOCs. The introduction of POMs not only improved the stability, but also brought the increase of adsorption capacity by strengthening the interaction with gas molecules. Furthermore, the exchanged alkali metal cations acted as active sites to interact with adsorbates and enhanced the adsorption of VOCs.

  19. Light-induced catalytic and cytotoxic properties of phosphorescent transition metal compounds with a d8 electronic configuration.

    Science.gov (United States)

    To, Wai-Pong; Zou, Taotao; Sun, Raymond Wai-Yin; Che, Chi-Ming

    2013-07-28

    Transition metal compounds are well documented to have diverse applications such as in catalysis, light-emitting materials and therapeutics. In the areas of photocatalysis and photodynamic therapy, metal compounds of heavy transition metals are highly sought after because they can give rise to triplet excited states upon photoexcitation. The long lifetimes (more than 1 μs) of the triplet states of transition metal compounds allow for bimolecular reactions/processes such as energy transfer and/or electron transfer to occur. Reactions of triplet excited states of luminescent metal compounds with oxygen in cells may generate reactive oxygen species and/or induce damage to DNA, leading to cell death. This article recaps the recent findings on photochemical and phototoxic properties of luminescent platinum(II) and gold(III) compounds both from the literature and experimental results from our group.

  20. Synthesis and light-emitting properties of organic electroluminescent compounds and their metal complexes

    Institute of Scientific and Technical Information of China (English)

    CUI Jianzhong; Kim Sung-Hoon

    2004-01-01

    Several organic electroluminescent (EL) compounds, 2,2′-(1,4-phenylenedivinylene)bis-3,3-dimethyl-in- dolenine (1), 2,2′-(1,4-phenylenedivinylene)bis-benzoxazole (2), 2,2′-(1,4-phenylenedivinylene)bis-benzothiazole (3), 4,4′- (1,4-phenylenedivinylene)bis-quinoline (4), 2,2′-(1,4-phenyle- nedivinylene)bis-quinoline (5), 2,2′-(1,4-phenylenedivinyle- ne)bis-1,3,3-trimethyl-indolenine dichlo ride (6), 2,2′-(1,4- phenylene-divinylene)bis-1-hydro-3,3-dimethyl-indolenine dichloride (7), 2,2′-(1,4-phenylenedivinylene)bis-8-acetoxy- quinoline (8), 2,2′-(1,4-phenylenedivinylene)bis-8-hydroxyq- uinoline (9) and metal complexes of 9, Al(PHQ) (10) and Zn(PHQ) (11), have been synthesized and characterized. The crystal structure of 6 was determined. Light emitting properties of the prepared compounds have been investigated. 1 produces an orange-yellow emission (λmax = 575 nm). The cation, 6, gives a red emission (λmax = 607 nm), which is shifted 32 nm to the red compared to 1. 8 produces a yellow emission (λmax = 567 nm). The metal complex 10 gives a red emission (λmax = 610 nm), which is a red shift of 43 nm compared to 8. The change in structure in the prepared compound caused a change in the electron distribution in the compounds, which induces a large wavelength shift of the emitted-light. Thermal analysis showed that the decomposition temperatures of the metal complexes (10, 11) were higher than those for the smaller organic molecular compounds (1-9). Therefore, metal complexes (10, 11) can be used as EL materials over a larger temperature range.

  1. Bifunctional compounds for controlling metal-mediated aggregation of the aβ42 peptide.

    Science.gov (United States)

    Sharma, Anuj K; Pavlova, Stephanie T; Kim, Jaekwang; Finkelstein, Darren; Hawco, Nicholas J; Rath, Nigam P; Kim, Jungsu; Mirica, Liviu M

    2012-04-18

    Abnormal interactions of Cu and Zn ions with the amyloid β (Aβ) peptide are proposed to play an important role in the pathogenesis of Alzheimer's disease (AD). Disruption of these metal-peptide interactions using chemical agents holds considerable promise as a therapeutic strategy to combat this incurable disease. Reported herein are two bifunctional compounds (BFCs) L1 and L2 that contain both amyloid-binding and metal-chelating molecular motifs. Both L1 and L2 exhibit high stability constants for Cu(2+) and Zn(2+) and thus are good chelators for these metal ions. In addition, L1 and L2 show strong affinity toward Aβ species. Both compounds are efficient inhibitors of the metal-mediated aggregation of the Aβ(42) peptide and promote disaggregation of amyloid fibrils, as observed by ThT fluorescence, native gel electrophoresis/Western blotting, and transmission electron microscopy (TEM). Interestingly, the formation of soluble Aβ(42) oligomers in the presence of metal ions and BFCs leads to an increased cellular toxicity. These results suggest that for the Aβ(42) peptide-in contrast to the Aβ(40) peptide-the previously employed strategy of inhibiting Aβ aggregation and promoting amyloid fibril dissagregation may not be optimal for the development of potential AD therapeutics, due to formation of neurotoxic soluble Aβ(42) oligomers.

  2. Technology Development and Production of Certain Chemical Platinum Metals Compounds at JSC "Krastsvetmet"

    Institute of Scientific and Technical Information of China (English)

    ILYASHEVICH V.D.; PAVLOVA E.I.; KORITSKAYA N.G.; MAMONOV S.N.; SHULGIN D.R.; MALTSEV E.V.

    2012-01-01

    In recent years JSC "Krastsvetmet" has successfully developed the production of chemically pure compounds of precious metals.Currently methods have been developed and facilities have been provided for industrial production of the following platinum metals compounds:- Rhodium (Ⅲ) chloride hydrate,rhodium (Ⅲ) chloride solution,rhodium ( Ⅲ) nitrate solution,rhodium ( Ⅲ)iodide,rhodium ( Ⅲ) sulfate,hydrated rhodium ( Ⅲ) oxide,ammonium hexachlororodiate,rhodium ( Ⅲ)phosphate solution,rhodium electrolytes;Iridium (Ⅳ) chloride hydrate,iridium (Ⅲ) chloride hydrate,ammonium hexachloroiridate (Ⅳ),hexachloriridium acid solution,hexachloriridium crystalline acid;- Ruthenium (Ⅲ) chloride hydrate,ruthenium (Ⅳ) hydroxide chloride,ruthenium (Ⅳ) hydroxide chloride solution,ammonium hexachlororuthenate,ruthenium (Ⅲ) chloride solution,potassium,diaquaoctachloronitrido diruthenate.The quality of the production meets the requirements of Russian and foreign consumers.

  3. Thermodynamic Properties and Mixing Thermodynamic Parameter of Binary Metallic Melt Involving Compound Formation

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jian

    2005-01-01

    Based on the coexistence theory of metallic melts involving compound formation,the theoretical cal culation equations of mixing thermodynamic parameters are established by giving up some empirical parameters in the associated solution model.For Fe-Al,Mn-Al and Ni-Al,the calculated results agree well with the experimental values,testifying that these equations can exactly embody mixing thermodynamic characteristics of these melts.

  4. DRIFT and DRUV spectroscopy methods for studying the interaction of metal compounds with native cellulose

    OpenAIRE

    Visekruna, Jovana

    2015-01-01

    Dissertação de mestrado, Qualidade em Análises, Faculdade de Ciências e Tecnologia, Universidade do Algarve, 2015 Cellulose, the most abundant organic polymer on earth, has numerous applications including the application in pharmacy as excipient in different kinds of pharmaceutical formulations where it comes in contact with metal compounds used in therapeutic purposes. Chemically, is composed of hundreds to thousands of β 1→4 linked D glucopyranose units. It is insoluble in water and most...

  5. APPLICABILITY OF THE MASS ACTION LAW IN COMBINATION WITH THE COEXISTENCE THEORY OF METALLIC MELTS INVOLVING COMPOUND TO BINARY METALLIC MELTS

    Institute of Scientific and Technical Information of China (English)

    J. Zhang

    2002-01-01

    Based on the atomicity and molecularity as well as the consistency of thermodynamicproperties and activities of metallic melts with their structures, the coexistence the-ory of metallic melts structure involving compound has been suggested. According tothis theory, the calculating models of mass action concentrations for different binarymetallic melts have been formulated. The calculated mass action concentrations agreewell with corresponding measured activities, which confirms that the suggested theorycan reflect the structural characteristics of metallic melts involving compound and thatthe mass action law is widely applicable to this kind of metallic melts.

  6. Mixed valence transition metal 2D-oxides: Comparison between delafossite and crednerite compounds

    Science.gov (United States)

    Martin, Christine; Poienar, Maria

    2017-08-01

    Transition metal oxides offer large opportunities to study relationships between structures and properties. Indeed these compounds crystallize in numerous frameworks corresponding to different dimensionalities and, accordingly, show a huge variety of properties (as high Tc superconductivity, colossal magnetoresistivity, multiferroicity..). The control of the oxidation state of the transition metal, via the monitoring of the oxygen content, is of prime importance to understand and optimize the properties, due to the strong coupling that exists between the lattice and the charges and spins of the transition metals. In this large playground for chemists, we reinvestigated several 2D-compounds derived from delafossite structure. Considering this paper as a very short review, we report here the results obtained on CuMO2 compounds (with M = Cr, Mn or Mn+Cu) by using a combination of techniques, as X-ray, neutrons and/or electrons diffraction on poly-crystals for structural characterisations that are correlated with electrical and/or magnetic properties. The complementarity of studies is also addressed by the synthesis and characterization of single crystals in addition to poly-crystals. Moreover the comparison of the structures of similar Cr and Mn based oxides highlights the crucial role of the Jahn-Teller effect of trivalent manganese to lift the degeneracy, which is responsible of the magnetic frustration in CuCrO2.

  7. Strongly correlated transition metal compounds investigated by soft X-ray spectroscopies and multiplet calculations

    Energy Technology Data Exchange (ETDEWEB)

    Jiménez-Mier, J., E-mail: jimenez@nucleares.unam.mx [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); Olalde-Velasco, P. [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States); Herrera-Pérez, G.; Carabalí -Sandoval, G. [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); Chavira, E. [Instituto de Investigaciones en Materiales, UNAM, 04510 México, DF (Mexico); Yang, W.-L.; Denlinger, J. [The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States)

    2014-10-15

    Direct probe of Mott–Hubbard (MH) to charge-transfer (CT) insulator transition in the MF{sub 2} (M = Cr–Zn) family of compounds was observed by combining F K and M L X-ray emission spectra (XES). This transition is evident as a crossover of the F-2p and M-3d occupied states. By combining F K XES data with F K edge X-ray absorption (XAS) data we directly obtained values for the M-3d Hubbard energy (U{sub dd}) and the F-2p to M-3d charge-transfer energy (Δ{sub CT}). Our results are in good agreement with the Zaanen–Sawatzky–Allen theory. We also present three examples where X-ray absorption at the transition metal L{sub 2,3} edges is used to study the oxidation state of various strongly correlated transition metal compounds. The metal oxidation state is obtained by direct comparison with crystal field multiplet calculations. The compounds are CrF{sub 2}, members of the La{sub 1−x}Sr{sub x}CoO{sub 3} family, and the MVO{sub 3} (M = La and Y) perovskites.

  8. Evolution of phenolic compounds and metal content of wine during alcoholic fermentation and storage.

    Science.gov (United States)

    Bimpilas, Andreas; Tsimogiannis, Dimitrios; Balta-Brouma, Kalliopi; Lymperopoulou, Theopisti; Oreopoulou, Vassiliki

    2015-07-01

    Changes in the principal phenolic compounds and metal content during the vinification process and storage under modified atmosphere (50% N2, 50% CO2) of Merlot and Syrah wines, from grapes cultivated in Greece, have been investigated. Comparing the variation of metals at maceration process, with the variation of monomeric anthocyanins and flavonols, an inverse relationship was noticed, that can be attributed to complexing reactions of polyphenols with particular trace elements. Cu decreased rapidly, whereas a similar behavior that could be expected for Fe and Mn was not confirmed. Differences in the profile of anthocyanins and flavonols in the fresh Merlot and Syrah wines are reported. During 1 year of storage monomeric anthocyanins declined almost tenfold, probably due to polymerization reactions and copigmentation. Also, a decrease in flavonol glycosides and increase in the respective aglycones was observed, attributed to enzymatic hydrolysis. The concentration of total phenols and all metals remained practically constant.

  9. Design, synthesis, and biological properties of triazole derived compounds and their transition metal complexes.

    Science.gov (United States)

    Chohan, Zahid H; Hanif, Muhammad

    2010-10-01

    Triazole derived Schiff bases and their metal complexes (cobalt(II), copper(II), nickel(II), and zinc(II)) have been prepared and characterized using IR, (1)H and (13)C NMR, mass spectrometry, magnetic susceptibility and conductivity measurements, and CHN analysis data. The structure of L(2), N-[(5-methylthiophen-2-yl)methylidene]-1H-1,2,4-triazol-3-amine, has also been determined by the X-ray diffraction method. All the metal(II) complexes showed octahedral geometry except the copper(II) complexes, which showed distorted octahedral geometry. The triazole ligands and their metal complexes have been screened for their in vitro antibacterial, antifungal, and cytotoxic activity. All the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. It is revealed that all the synthesized complexes showed better activity than the ligands, due to coordination.

  10. Metal-based ethanolamine-derived compounds: a note on their synthesis, characterization and bioactivity.

    Science.gov (United States)

    Amjad, Muhammad; Sumrra, Sajjad H; Akram, Muhammad Safwan; Chohan, Zahid H

    2016-01-01

    Metal-based ethanolamines, (L(1))-(L(4)) coordinated with Co(II), Cu(II), Ni(II) and Zn(II) metals in 1:2 (metal:ligand) molar ratio to produce new compounds have been reported. These compounds were screened for their bactericidal/fungicidal activity against a number of bacterial (Escherichia coli, Shigella flexneri, Pseudomonas aeruginosa, Salmonella typhi, Staphylococcus aureus and Bacillus subtilis) and fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) alongside against a shrimp species known as Artemia salina. The screening results indicated that metal complexes have significantly higher activity than uncomplexed ligands against one or more bacterial/fungal species due to chelation. The ligand (L(4)) displayed good bacterial and fungal activity as compared to other ligands. The antibacterial results revealed that the Zn(II) complex (16) of (L(4)) was found to be the most active complex and Co(II) complex (14) of the same ligand (L(4)), demonstrated the highest antifungal activity.

  11. [Metal poisoning].

    Science.gov (United States)

    Ferrer, A

    2003-01-01

    Metals are amongst the oldest toxic substances known to man. In today's industrialized world the sources of exposure to metals are ubiquitous both in the field of work and from polluted water, foodstuffs and the environment. Their toxicity is characterized by the metallic element in question, but this is modified by the type of compound, whether organic or inorganic, and its characteristics of hydrosolubility and liposolubility, which determines its toxicokinetics and thus the possibilities of it reaching its targets. The biomolecules most affected by metals are the proteins with enzymatic activity, which is why their pathology is multisystemic. The principal systems affected are the gastrointestinal, central and peripheral neurological, haematic and renal. Some metallic compounds are carcinogenic. Metals's treatment is conditioned by their chemical reactivity. They can be deactivated and eliminated by the administering of chelating agents that produce complex molecules, which are non-toxic and can be excreted. The principal chelating agents are: BAL (British Anti-Lewisite or dimercaprol) DMPS (2,3-Dimercapto-1-propanesulfonic Acid) and DMSA (meso-2,3-Dimercaptosuccinic or Succimer), EDTA, Penicilamine (b,b-dimethylcysteine) and Deferoxamine. Toxicokinetic characteristics, mechanism of action, clinical picture and treatment of some of the most relevant metals and metalloids: lead, mercury and arsenic, are considered.

  12. Analysis of trace metals and perfluorinated compounds in 43 representative tea products from South China.

    Science.gov (United States)

    Zheng, Hai; Li, Jian-Long; Li, Hai-Hang; Hu, Guo-Cheng; Li, Hua-Shou

    2014-06-01

    Six trace metals (Cd, Pb, Cr, Cu, Zn, and Mn) and 2 perfluorinated compounds (PFCs), perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA), were analyzed in 43 representative tea products (including 18 green, 12 Oolong, and 13 black teas) from 7 main tea production provinces in China, using the atomic absorption spectrophotometer for trace metals analysis and HPLC-MS/MS for PFOS and PFOA analysis. The average contents of the 3 essential metals Mn, Cu, and Zn ions in the tea samples were 629.74, 17.75, and 37.38 mg/kg, whereas 3 toxic metals Cd, Cr, and Pb were 0.65, 1.02, and 1.92 mg/kg, respectively. The contents of heavy metals in the 3 types of tea were in the order of black tea > Oolong tea > green tea. Both PFOS and PFOA contents were low and PFOA content was higher than PFOS in the tea samples. The highest concentration of PFOA was 0.25 ng/g dry weight found in a Hunan green tea. The Principal component analysis was performed with the trace metals and PFCs to analyze the relationships of these indices. The results showed that black teas had higher trace metals and PFCs than green and Oolong teas, and the teas from Hunan and Zhejiang provinces had higher Pb and Cr than others. This paper reports trace metals, and perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA) in wide range of tea products produced in the south China area. This paper also warns the low PFOS and PFOA pollution in tea. © 2014 Institute of Food Technologists®

  13. High-temperature thermochemistry of transition metal borides, silicides and related compounds. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Klemppa, Ole J.

    2000-10-01

    Earlier this year in collaboration with Dr. Susan V. Meschel we prepared a major review paper which gives a comprehensive summary of what our laboratory has accomplished with support from DOE. This paper is No.43 in the List of Publications provided. It was presented to TMS at its National Meeting in Nashville, TN last March. A copy of the manuscript of this paper was recently mailed to DOE. It has been submitted for publication in Journal of Alloys and Compounds. This review paper summarizes our observed trends in the enthalpies of formation of TR-X and RE-X compounds (where X is a IIIB or IVB element) in their dependence of the atomic number of the transition metal (TR) and the lanthanide metal (RE). In this paper our measured enthalpies of formation for each alloy family are compared for the 3d, 4d and 5d transition metal elements. We also compare our experimental results with predicted values based on Miedema's semi-empirical model. Data are presented for the carbides, silicides, germanides and stannides in Group IVB, and for the borides and aluminides in Group IIIB. During the past year (1999-2000) we have extended our work to compounds of the 3d, 4d and 5d elements with gallium (see papers No.40, No.41, and No.45 in the List of Publications). Fig. 1 (taken from No.45) presents a systematic picture of our experimental values for the most exothermic gallide compounds formed with the transition elements. This figure is characteristic of the other systematic pictures which we have found for the two other IIIB elements which we have studied and for the four IVB elements. These figures are all presented in Ref. No.43. This paper also illustrates how the enthalpy of formation of compounds of the IIIB and IVB elements with the lanthanide elements (with the exception of Pm, Eu and Yb) depend on the atomic number of RE. Finally our results for the RE-X compounds are compared with the predictions of Gschneidner (K.A. Gschneidner, Jr., J. Less Common Metals 17, 1

  14. Metallomics insights into the programmed cell death induced by metal-based anticancer compounds.

    Science.gov (United States)

    Tan, Cai-Ping; Lu, Yi-Ying; Ji, Liang-Nian; Mao, Zong-Wan

    2014-05-01

    Since the discovery of cisplatin more than 40 years ago, enormous research efforts have been dedicated to developing metal-based anticancer agents and to elucidating the mechanisms involved in the action of these compounds. Abnormal metabolism and the evasion of apoptosis are important hallmarks of malignant transformation, and the induction of apoptotic cell death has been considered to be a main pathway by which cytotoxic metal complexes combat cancer. However, many cancers have cellular defects involving the apoptotic machinery, which results in an acquired resistance to apoptotic cell death and therefore reduced chemotherapeutic effectiveness. Over the past decade, it has been revealed that a growing number of cell death pathways induced by metal complexes are not dependent on apoptosis. Metal complexes specifically triggering these alternative cell death pathways have been identified and explored as novel cancer treatment options. In this review, we discuss recent examples of metallomics studies on the different types of cell death induced by metal-based anticancer drugs, especially on the three major forms of programmed cell death (PCD) in mammalian cells: apoptosis, autophagy and regulated necrosis, also called necroptosis.

  15. Carcinogens formed when Meat is Cooked

    Energy Technology Data Exchange (ETDEWEB)

    Felton, J S; Salmon, C P; Knize, M G

    2003-05-30

    Diet has been associated with varying cancer rates in human populations for many years, yet the causes of the observed variation in cancer patterns have not been adequately explained (Wynder et al. 1977). Along with the effect of diet on human cancer incidence is the strong evidence that mutations are the initiating events in the cancer process (Vogelstein et al. 1992). Foods, when heated, are a good source of genotoxic carcinogens that very likely are a cause for some of these events(Doll et al. 1981). These carcinogens fall into two chemical classes: heterocyclic aromatic amines (HAA) and polycyclic aromatic hydrocarbons (PAH). There is ample evidence that many of these compounds are complete carcinogens in rodents(El-Bayoumy et al. 1995; Ohgaki et al. 1991). Heterocyclic aromatic amines are among the most potent mutagenic substances ever tested in the Ames/Salmonella mutagenicity test (Wakabayashi et al. 1992). Both classes of carcinogen cause tumors in rodents at multiple sites, (El-Bayoumy et al. 1995; Ohgaki et al. 1991) many of which are common tumor sites in people on a Western diet. An HAA, PhIP (2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine), and a PAH, B[a]P (benzo[a]pyrene), of comparable carcinogenic potency caused mammary gland tumors in a feeding study in female rats (El-Bayoumy et al. 1995). In addition, PhIP has recently been shown to cause carcinomas in the prostate of the male rat (Shirai et al. 1997). Complementing the rodent cancer studies are numerous human case-control and prospective studies suggesting a relationship between overheated beef, chicken, and lamb, and cancer of the colon, breast, prostate, and stomach (Sinha et al. 1999; Ward et al. 1997; Zheng et al. 1998).

  16. Exploring the reactivity of flavonoid compounds with metal-associated amyloid-β species.

    Science.gov (United States)

    He, Xiaoming; Park, Hyun Min; Hyung, Suk-Joon; DeToma, Alaina S; Kim, Cheal; Ruotolo, Brandon T; Lim, Mi Hee

    2012-06-01

    Metal ions associated with amyloid-β (Aβ) peptides have been suggested to be involved in the development of Alzheimer's disease (AD), but this remains unclear and controversial. Some attempts to rationally design or select small molecules with structural moieties for metal chelation and Aβ interaction (i.e., bifunctionality) have been made to gain a better understanding of the hypothesis. In order to contribute to these efforts, four synthetic flavonoid derivatives FL1-FL4 were rationally selected according to the principles of bifunctionality and their abilities to chelate metal ions, interact with Aβ, inhibit metal-induced Aβ aggregation, scavenge radicals, and regulate the formation of reactive oxygen species (ROS) were studied using physical methods and biological assays. The compounds FL1-FL3 were able to chelate metal ions, but showed limited solubility in aqueous buffered solutions. In the case of FL4, which was most compatible with aqueous conditions, its binding affinities for Cu(2+) and Zn(2+) (nM and μM, respectively) were obtained through solution speciation studies. The direct interaction between FL4 and Aβ monomer was weak, which was monitored by NMR spectroscopy and mass spectrometry. Employing FL1-FL4, no noticeable inhibitory effect on metal-mediated Aβ aggregation was observed. Among FL1-FL4, FL3, having 3-OH, 4-oxo, and 4'-N(CH(3))(2) groups, exhibited similar antioxidant activity to the vitamin E analogue, Trolox, and ca. 60% reduction in the amount of hydrogen peroxide (H(2)O(2)) generated by Cu(2+)-Aβ in the presence of dioxygen (O(2)) and a reducing agent. Overall, the studies here suggest that although four flavonoid molecules were selected based on expected bifunctionality, their properties and metal-Aβ reactivity were varied depending on the structure differences, demonstrating that bifunctionality must be well tuned to afford desirable reactivity.

  17. Transition-Metal Planar Boron Clusters: a New Class of Aromatic Compounds with High Coordination

    Science.gov (United States)

    Wang, Lai-Sheng

    2012-06-01

    Photoelectron spectroscopy in combination with computational studies over the past decade has shown that boron clusters possess planar or quasi-planar structures, in contrast to that of bulk boron, which is dominated by three-dimensional cage-like building blocks. All planar or quasi-planar boron clusters are observed to consist of a monocyclic circumference with one or more interior atoms. The propensity for planarity has been found to be due to both σ and π electron delocalization throughout the molecular plane, giving rise to concepts of σ and π double aromaticity. We have found further that the central boron atoms can be substituted by transition metal atoms to form a new class of aromatic compounds, which consist of a central metal atom and a monocyclic boron ring (M B_n). Eight-, nine-, and ten-membered rings of boron have been observed, giving rise to octa-, ennea-, and deca-coordinated aromatic transition metal compounds [1-3]. References: [1] ``Aromatic Metal-Centered Monocyclic Boron Rings: Co B_9^- and Ru B_9^-" (Constantin Romanescu, Timur R. Galeev, Wei-Li Li, A. I. Boldyrev, and L. S. Wang), Angew. Chem. Int. Ed. {50}, 9334-9337 (2011). [2] ``Transition-Metal-Centered Nine-Membered Boron Rings: M B_9 and M B_9^- (M = Rh, Ir)" (Wei-Li Li, Constantin Romanescu, Timur R. Galeev, Zachary Piazza, A. I. Boldyrev, and L. S. Wang), J. Am. Chem. Soc. {134}, 165-168 (2012). [3] ``Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta B10^- and Nb B_9^- Anions" (Timur R. Galeev, Constantin Romanescu, Wei-Li Li, L. S. Wang, and A. I. Boldyrev), Angew. Chem. Int. Ed. {51}, 2101-2105 (2012).

  18. Beryllium metal II. a review of the available toxicity data.

    Science.gov (United States)

    Strupp, Christian

    2011-01-01

    Beryllium metal was classified in Europe collectively with beryllium compounds, e.g. soluble salts. Toxicological equivalence was assumed despite greatly differing physicochemical properties. Following introduction of the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, beryllium metal was classified as individual substance and more investigational efforts to appropriately characterize beryllium metal as a specific substance apart from soluble beryllium compounds was required. A literature search on toxicity of beryllium metal was conducted, and the resulting literature compiled together with the results of a recently performed study package into a comprehensive data set. Testing performed under Organisation for Economic Co-Operation and Development guidelines and Good Laboratory Practice concluded that beryllium metal was neither a skin irritant, an eye irritant, a skin sensitizer nor evoked any clinical signs of acute oral toxicity; discrepancies between the current legal classification of beryllium metal in the European Union (EU) and the experimental results were identified. Furthermore, genotoxicity and carcinogenicity were discussed in the context of the literature data and the new experimental data. It was concluded that beryllium metal is unlikely to be a classical nonthreshold mutagen. Effects on DNA repair and morphological cell transformation were observed but need further investigation to evaluate their relevance in vivo. Animal carcinogenicity studies deliver evidence of carcinogenicity in the rat; however, lung overload may be a species-specific confounding factor in the existing studies, and studies in other species do not give convincing evidence of carcinogenicity. Epidemiology has been intensively discussed over the last years and has the problem that the studies base on the same US beryllium production population and do not distinguish between metal and soluble compounds. It is noted that the correlation

  19. Recent insights on the medicinal chemistry of metal-based compounds: hints for the successful drug design.

    Science.gov (United States)

    Hernandes, M Z; de S Pontes, F J; Coelho, L C D; Moreira, D R M; Pereira, V R A; Leite, A C L

    2010-01-01

    Although more complex than usually described, the anticancer action mechanism of cisplatin is based on binding to DNA. Following this line of reasoning, most the metal-based compounds discovered soon after cisplatin were designed to acting as DNA-binding agents and their pharmacological properties were thought to be correlated with this mechanism. Apart from the DNA structure, a significant number of proteins and biochemical pathways have been described as drug targets for metal-based compounds. This paper is therefore aimed at discussing the most recent findings on the medicinal chemistry of metal-based drugs. It starts illustrating the design concept behind the bioinorganic chemistry of anticancer complexes. Anticancer metallic compounds that inhibit the protein kinases are concisely discussed as a case study. The accuracy and limitations of molecular docking programs currently available to predict the binding mode of metallic complexes in molecular targets are further discussed. Finally, the advantages and disadvantages of different in vitro screenings are briefly commented.

  20. Optical Parameters and Absorption of Azo Dye and Its Metal-Substituted Compound Thin Films

    Institute of Scientific and Technical Information of China (English)

    魏斌; 吴谊群; 顾冬红; 干福熹

    2003-01-01

    We determine the complex refractive indices N ( N = n - ik), dielectric constants ε(ε = ε1 - iε2), and absorption coefficients α of a new azo dye [2-(6-methyl-2-benzothiazolyazo)-5-diethylaminophenol(MBADP)]-doped polymer and its nickel- and zinc-substituted compounds(Ni-MBADP and Zn-MBADP) spin-coated thin films from a scanning ellipsometer in the wavelength 400-700 nm region. Metal chelation strongly (about one times) enhances the optical and dielectric parameters at the peaks and results in a large bathochromic shift (50-60nm) of absorption band. Bathochromic shift of Ni-MBADP is about 10nm larger than that of Zn-MBADP due to different spatial configurations formed in the metal-azo complexes.

  1. Composite materials obtained by the ion-plasma sputtering of metal compound coatings on polymer films

    Science.gov (United States)

    Khlebnikov, Nikolai; Polyakov, Evgenii; Borisov, Sergei; Barashev, Nikolai; Biramov, Emir; Maltceva, Anastasia; Vereshchagin, Artem; Khartov, Stas; Voronin, Anton

    2016-01-01

    In this article, the principle and examples composite materials obtained by deposition of metal compound coatings on polymer film substrates by the ion-plasma sputtering method are presented. A synergistic effect is to obtain the materials with structural properties of the polymer substrate and the surface properties of the metal deposited coatings. The technology of sputtering of TiN coatings of various thicknesses on polyethylene terephthalate films is discussed. The obtained composites are characterized by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM), and scanning tunneling microscopy (STM) is shown. The examples of application of this method, such as receiving nanocomposite track membranes and flexible transparent electrodes, are considered.

  2. Stability of Weyl points in magnetic half-metallic Heusler compounds

    Science.gov (United States)

    Chadov, Stanislav; Wu, Shu-Chun; Felser, Claudia; Galanakis, Iosif

    2017-07-01

    We employ ab initio fully relativistic electronic structure calculations to study the stability of the Weyl points in the momentum space within the class of the half-metallic ferromagnetic full Heusler materials, by focusing on Co2TiAl as a well-established prototype compound. Here we show that both the number of the Weyl points together with their k -space coordinates can be controlled by the orientation of the magnetization. This alternative degree of freedom, which is absent in other topological materials (e.g., in Weyl semimetals), introduces functionalities that are specific for the class of half-metallic ferromagnets. Of special interest are crossing points which are preserved irrespective of any arbitrary rotation of the magnetization axis.

  3. The metal-driven biogeochemistry of gaseous compounds in the environment

    CERN Document Server

    Kroneck, Peter MH

    2014-01-01

    MILS-14 provides a most up-to-date view of the exciting biogeochemistry of gases in our environment as driven mostly by microorganisms. These employ a machinery of sophisticated metalloenzymes, where especially transition metals (such as Fe, Ni, Cu, Mo, W) play a fundamental role, that is, in the activation, transformation and syntheses of gases like dihydrogen, methane, carbon monoxide, acetylene and those of the biological nitrogen and sulfur cycles. The Metal-Driven Biogeochemistry of Gaseous Compounds in the Environment is a vibrant research area based mainly on structural and microbial biology, inorganic biological chemistry and environmental biochemistry. All this is covered in an authoritative manner in 11 stimulating chapters, written by 26 internationally recognized experts and supported by nearly 1200 references, informative tables and about 100 illustrations (two thirds in color). MILS-14 also provides excellent information for teaching. Peter M. H. Kroneck is a bioinorganic chemist who is explorin...

  4. The effect of various naturally occurring metal-binding compounds on the electrochemical behavior of aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, D.C.; McCafferty, E. [Naval Research lab., Washington, DC (United States)

    1996-01-01

    Naturally occurring biological molecules are of considerable interest as possible corrosion inhibitors because of increased attention on the development of environmentally compatible, nonpolluting corrosion inhibitors. A hydroxamate yeast siderophore (rhodotorulic acid), a catecholate bacterial siderophore (parabactin), an adhesive protein from the blue mussel Mytilus edulis, and two metal-binding compounds isolated from the tomato and sunflower roots, namely, chlorogenic and caffeic acid, respectively, were adsorbed from solution onto pure aluminum (99.9995%) and their effect on the critical pitting potential and polarization resistance in deaerated 0.1 M NaCl was measured. These measurements were made using anodic polarization and ac impedance spectroscopy. The catechol-containing siderophore has an inhibitive effect on the critical pitting potential of aluminum in 0.1 M NaCl and increases the polarization resistance of the metal over time. The adhesive protein from the blue mussel is also effective in inhibiting the pitting of aluminum.

  5. Enhancement of nonlinear optical properties of compounds of silica glass and metallic nanoparticle

    Indian Academy of Sciences (India)

    GHARAATI A; KAMALDAR A

    2016-06-01

    The aim of this paper is to introduce a method for enhancing the nonlinear optical properties in silica glass by using metallic nanoparticles. First, the T-matrix method is developed to calculate the effective dielectric constant for the compound of silica glass and metallic nanoparticles, both of which possess nonlinear dielectric constants. In the second step, the Maxwell–Garnetttheory is exploited to replace the spherical nanoparticles with cylindrical and ellipsoidal ones, facilitating the calculation of the third-order nonlinear effective susceptibility for a degenerate four-wave mixing case. The results are followed by numerical computations for silver, copper and gold nanoparticles. It is shown, graphically, that the maximum and minimum of the real part of thereflection coefficient for nanoparticles of silver occurs in smaller wavelengths compared to that of copper and gold. Further, it is found that spherical nanoparticles exhibit greater figure-of-merit compared to those with cylindrical or ellipsoidal geometries.

  6. Physical chemistry of evaporation and deposition of metals, alloys and their compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Eiichi

    1988-05-01

    The thermodynamics, reaction kynetics and chemical vapor deposition(CVD) process were explained on evaporation and deposition to indicate that the chemical metallurgy was effective for the process analysis of various materials, mainly for metals. Firstly, gaseous phase growth of diamond was explained, evaporated molecular species were studied, vapor species of metal compounds were illustrated and vapor pressure data were dealed with. Fundamentals on evaporation coefficient and condensation coefficient were explained concerning the reaction kinetics and the measurements of Langumuir evaporation coefficient were illustrated. Further, the acceleration and inhibition of evaporation were described with examples of molten alloys. Thermal CVD process in which process is comparatively simple, was taken up from various CVD processes and Si thinfoil formation was studied. The relationship between reaction rate and temperature was described along with reaction process. Finally, the analysis of B and TiN deposition was detailed. (19 figs, 4 tabs, 30 refs)

  7. High-resolution x-ray absorption spectroscopy studies of metal compounds in neurodegenerative brain tissue

    Science.gov (United States)

    Collingwood, J. F.; Mikhaylova, A.; Davidson, M. R.; Batich, C.; Streit, W. J.; Eskin, T.; Terry, J.; Barrea, R.; Underhill, R. S.; Dobson, J.

    2005-01-01

    Fluorescence mapping and microfocus X-ray absorption spectroscopy are used to detect, locate and identify iron biominerals and other inorganic metal accumulations in neurodegenerative brain tissue at sub-cellular resolution (reviewed. Synchrotron X-rays are used to map tissue sections for metals of interest, and XANES and XAFS are used to characterise anomalous concentrations of the metals in-situ so that they can be correlated with tissue structures and disease pathology. Iron anomalies associated with biogenic magnetite, ferritin and haemoglobin are located and identified in an avian tissue model with a pixel resolution ~5 microns. Subsequent studies include brain tissue sections from transgenic Huntington's mice, and the first high-resolution mapping and identification of iron biominerals in human Alzheimer's and control autopsy brain tissue. Technical developments include use of microfocus diffraction to obtain structural information about biominerals in-situ, and depositing sample location grids by lithography for the location of anomalies by conventional microscopy. The combined techniques provide a breakthrough in the study of both intra- and extra-cellular iron compounds and related metals in tissue. The information to be gained from this approach has implications for future diagnosis and treatment of neurodegeneration, and for our understanding of the mechanisms involved.

  8. Soft X-ray spectroscopy of transition metal compounds: a theoretical perspective

    Science.gov (United States)

    Bokarev, S. I.; Hilal, R.; Aziz, S. G.; Kühn, O.

    2016-12-01

    To date, X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we report on the development of an efficient and versatile theoretical methodology for the treatment of soft X-ray spectra of transition metal compounds based on the multi-configurational self-consistent field electronic structure theory. A special focus is put on the L-edge photon-in/photon-out and photon-in/electron-out processes, i.e. X-ray absorption, resonant inelastic scattering, partial fluorescence yield, and photoelectron spectroscopy, all treated on the same theoretical footing. The investigated systems range from small prototypical coordination compounds and catalysts to aggregates of biomolecules.

  9. Gadolinium(III)-sensitized fluorescence of europium in its mixed-metal compounds with trifluroacetate

    Science.gov (United States)

    Kalinovskaya, I. V.; Zadorozhnaya, A. N.

    2017-04-01

    The fluorescence properties of mixed-metal compounds of Eu(III) and Gd(III) with trifluoroacetic acid, Eu1-xGdx(C2F3O2)3·yD·zH2O, where D - 1,10-phenanthroline, 2,2-dipyridil, diphenylguanidine, x = 0, 0.25, 0.5, or 0.7, were studied. Luminescence spectroscopic evidence and the examination of excitation spectra indicate the occurrence of efficient energy transfer from the gadolinium to the europium ion. The greatest promotion of Eu3+ photoluminescence at 615 nm is observed when Eu:Gd = 1:1.

  10. Micro- and Nanostructured Metal Oxide Chemical Sensors for Volatile Organic Compounds

    Science.gov (United States)

    Alim, M. A.; Penn, B. G.; Currie, J. R., Jr.; Batra, A. K.; Aggarwal, M. D.

    2008-01-01

    Aeronautic and space applications warrant the development of chemical sensors which operate in a variety of environments. This technical memorandum incorporates various kinds of chemical sensors and ways to improve their performance. The results of exploratory investigation of the binary composite polycrystalline thick-films such as SnO2-WO3, SnO2-In2O3, SnO2-ZnO for the detection of volatile organic compound (isopropanol) are reported. A short review of the present status of the new types of nanostructured sensors such as nanobelts, nanorods, nanotube, etc. based on metal oxides is presented.

  11. Fluorite and mixed-metal Kagome-related topologies in metal-organic framework compounds: synthesis, structure, and properties.

    Science.gov (United States)

    Mahata, Partha; Raghunathan, Rajamani; Banerjee, Debamalya; Sen, Diptiman; Ramasesha, S; Bhat, S V; Natarajan, S

    2009-06-01

    Two new three-dimensional metal-organic frameworks (MOFs) [Mn(2)(mu(3)-OH)(H(2)O)(2)(BTC)] x 2 H(2)O, I, and [NaMn(BTC)], II (BTC = 1,2,4-benzenetricarboxylate = trimellitate) were synthesized and their structures determined by single-crystal X-ray diffraction (XRD). In I, the Mn(4) cluster, [Mn(4)(mu(3)-OH)(2)(H(2)O)(4)O(12)], is connected with eight trimellitate anions and each trimellitate anion connects to four different Mn(4) clusters, resulting in a fluorite-like structure. In II, the Mn(2)O(8) dimer is connected with two Na(+) ions through carboxylate oxygen to form mixed-metal distorted Kagome-related two-dimensional -M-O-M- layers, which are pillared by the trimellitate anions forming the three-dimensional structure. The extra-framework water molecules in I are reversibly adsorbed and are also corroborated by powder XRD studies. The formation of octameric water clusters involving free and coordinated water molecules appears to be new. Interesting magnetic behavior has been observed for both compounds. Electron spin resonance (ESR) studies indicate a broadening of the signal below the ordering temperature and appear to support the findings of the magnetic studies.

  12. Effects of Ga substitution on the structural and magnetic properties of half metallic Fe2MnSi Heusler compound

    Science.gov (United States)

    Pedro, S. S.; Caraballo Vivas, R. J.; Andrade, V. M.; Cruz, C.; Paixão, L. S.; Contreras, C.; Costa-Soares, T.; Caldeira, L.; Coelho, A. A.; Carvalho, A. Magnus G.; Rocco, D. L.; Reis, M. S.

    2015-01-01

    The so-called half-metallic magnets have been proposed as good candidates for spintronic applications due to the feature of exhibiting a hundred percent spin polarization at the Fermi level. Such materials follow the Slater-Pauling rule, which relates the magnetic moment with the valence electrons in the system. In this paper, we study the bulk polycrystalline half-metallic Fe2MnSi Heusler compound replacing Si by Ga to determine how the Ga addition changes the magnetic, the structural, and the half-metal properties of this compound. The material does not follow the Slater-Pauling rule, probably due to a minor structural disorder degree in the system, but a linear dependence on the magnetic transition temperature with the valence electron number points to the half-metallic behavior of this compound.

  13. Pressure induced structural phase transition in IB transition metal nitrides compounds

    Energy Technology Data Exchange (ETDEWEB)

    Soni, Shubhangi; Kaurav, Netram, E-mail: netramkaurav@yahoo.co.uk; Jain, A. [Department of Physics, Govt. Holkar Science college, A. B. Road, Indore-452001 India (India); Shah, S. [Department of Physics, P. M. B. Gujarati Science College, Indore-452001 (India); Choudhary, K. K. [Department of Physics, National Defence Academy, Khadakwasla, Pune-411 0231 India (India)

    2015-06-24

    Transition metal mononitrides are known as refractory compounds, and they have, relatively, high hardness, brittleness, melting point, and superconducting transition temperature, and they also have interesting optical, electronic, catalytic, and magnetic properties. Evolution of structural properties would be an important step towards realizing the potential technological scenario of this material of class. In the present study, an effective interionic interaction potential (EIOP) is developed to investigate the pressure induced phase transitions in IB transition metal nitrides TMN [TM = Cu, Ag, and Au] compounds. The long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach with modified ionic charge are properly incorporated in the EIOP. The vdW coefficients are computed following the Slater-Kirkwood variational method, as both the ions are polarizable. The estimated value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are consistent as compared to the reported data.

  14. Two-dimensional topological crystalline quantum spin Hall effect in transition metal intercalated compounds

    Science.gov (United States)

    Zhou, Jian; Jena, Puru

    2017-02-01

    While most of the two-dimensional (2D) topological crystalline insulators (TCIs) belong to group IV-VI narrow-band-gap semiconductors in a square lattice, in the present work we predict a TCI family based on transition metal intercalated compounds in a hexagonal lattice. First-principles calculations combined with a substrate-fixed globally optimal structural search technique show that a layer of Os prefers a uniform distribution between two graphene sheets. Band dispersion calculations reveal a Dirac point and a Dirac nodal ring near the Fermi level. The Dirac point is ascribed to the hybridization of e2 and e2* orbitals, and the Dirac ring is formed due to dispersion of s and e1* orbitals. Upon inclusion of spin-orbit coupling, these Dirac states open topologically nontrivial local band gaps, which are characterized by nonzero mirror Chern numbers. The quantum spin Hall effect is also observed by integrating the spin Berry curvature in the Brillouin zone. In contrast to the 2D group IV-VI TCIs whose band inversions at X and Y points are "locked" by C4 rotation symmetry, here the relative energy of two local band gaps can be manipulated by in-plane biaxial strains. Some other similar intercalation compounds are also shown to be topologically nontrivial. Our work extends the 2D TCI family into a hexagonal lattice composed of transition metals.

  15. Molecular mechanism of metal-independent decomposition of lipid hydroperoxide by the carcinogenic halogenated quinones%致癌性卤代醌介导的脂质氢过氧化物分解的分子机制

    Institute of Scientific and Technical Information of China (English)

    刘庆林; 覃浩; 黄春华; 刘蒲; 朱本占

    2014-01-01

    Halogenated quinones are a class of carcinogenic intermediates and newly identified chlorination disinfection byproducts in drinking water. 13-Hydroperoxy-9, 11-octadecadienoic acid (13-HPODE) is the most extensively studied endogenous lipid hydroperoxide. Although it is well known that the decomposition of 13-HPODE can be catalyzed by transition metal ions, it is not clear whether halogenated quinones could enhance its decomposition independent of metal ions, and if so, what are the unique characteristics and similarities? We found that halogenated quinones such as 2,5-dichloro-1,4-benzoquinone ( DCBQ) could markedly enhance the decomposition of 13-HPODE and formation of the reactive lipid alkyl radicals such as pentyl and 7-carboxyheptyl radicals, and the genotoxic 4-hydroxy-2-nonenal ( HNE ) , through the complementary application of ESR spin-trapping, HPLC-MS and GC-MS methods. Interestingly, two chloroquinone-lipid alkoxyl conjugates were also detected and identified from the reaction between DCBQ and 13-HPODE. We propose that the enhanced decomposition of the endogenous lipid hydroperoxide 13-HPODE by halogenated quinones and formation of reactive lipid alkyl radicals and genotoxic HNE is through a novel metal-independent nucelophilic substitution coupled with homolytic decomposition mechanism, which may partly explain their potential genotoxicity and carcinogenicity.%卤代醌是许多卤芳香持久有机污染物的致癌代谢产物和饮用水消毒副产物.13-过氧羟基-9,11-十八碳二烯酸(13-HPODE)是最为广泛研究的内源性脂质过氧化物.众所周知,过渡金属离子可以催化分解13-HPODE,但尚不清楚卤代醌是否可以通过不依赖金属离子的途径促进其分解;若是如此,又有什么特异性和相似性?我们发现卤化醌如2,5-二氯-1,4-苯醌( DCBQ)可显著促进13-HPODE的分解.综合采用电子自旋共振-自旋捕获、HPLC-MS和GC-MS等分析方法,可检测到反

  16. KEYNOTE LECTURES-KL1 New development in risk assessment of genotoxic carcinogens in foods

    Institute of Scientific and Technical Information of China (English)

    CHEN Jun-Shi

    2006-01-01

    @@ The no-observed-effect level (NOEL) in a study of carcinogenicity for compounds that are both genotoxic and carcinogenic represents the limit of detection in that bioassay, rather than an estimate of a possible threshold. Therefore, for those genotoxic and carcinogenic contaminants (e.g. acrylamides, PAHs, etc.) in foods it is not possible to develop health-based guidance values (e.g. ADI or PTWI) using the traditional NOEL and safety/uncertainty factors.

  17. Comparison of rat olfactory mucosal responses to carcinogenic and non-carcinogenic chloracetanilides

    Science.gov (United States)

    Genter, M.B.; Warner, B.M.; Medvedovic, M.; Sartor, M.A.

    2009-01-01

    Alachlor and butachlor are chloracetanilide herbicides that induce olfactory tumors in rats, whereas propachlor does not. The mechanism by which alachlor induces tumors is distinct from many other nasal carcinogens, in that alachlor induces a gradual de-differentiation of the olfactory mucosa (OM) to a more respiratory-like epithelium, in contrast to other agents that induce cytotoxicity, followed by an aberrant regenerative response. We studied biochemical and genomic effects of these compounds to identify processes that occur in common between alachlor- and butachlor-treated rats. Because we have previously shown that matrix metalloproteinase-2 (MMP2) is activated in OM by alachlor, in the present studies we evaluated both MMP2 activation and changes in OM gene expression in response to carcinogenic and non-carcinogenic chloracetanilide treatments. All three chloracetanilides activated MMP2, and > 300 genes were significantly up- or downregulated between control and alachlor-treated rats. The most significantly regulated gene was vomeromodulin, which was dramatically upregulated by alachlor and butachlor treatment (>60-fold), but not by propachlor treatment. Except for similar gene responses in alachlor- and butachlor-treated rats, we did not identify clear-cut differences that would predict OM carcinogenicity in this study. PMID:19425180

  18. A standardized evaluation of artefacts from metallic compounds during fast MR imaging.

    Science.gov (United States)

    Murakami, Shumei; Verdonschot, Rinus G; Kataoka, Miyoshi; Kakimoto, Naoya; Shimamoto, Hiroaki; Kreiborg, Sven

    2016-10-01

    Metallic compounds present in the oral and maxillofacial regions (OMRs) cause large artefacts during MR scanning. We quantitatively assessed these artefacts embedded within a phantom according to standards set by the American Society for Testing and Materials (ASTM). Seven metallic dental materials (each of which was a 10-mm(3) cube embedded within a phantom) were scanned [i.e. aluminium (Al), silver alloy (Ag), type IV gold alloy (Au), gold-palladium-silver alloy (Au-Pd-Ag), titanium (Ti), nickel-chromium alloy (NC) and cobalt-chromium alloy (CC)] and compared with a reference image. Sequences included gradient echo (GRE), fast spin echo (FSE), gradient recalled acquisition in steady state (GRASS), a spoiled GRASS (SPGR), a fast SPGR (FSPGR), fast imaging employing steady state (FIESTA) and echo planar imaging (EPI; axial/sagittal planes). Artefact areas were determined according to the ASTM-F2119 standard, and artefact volumes were assessed using OsiriX MD software (Pixmeo, Geneva, Switzerland). Tukey-Kramer post hoc tests were used for statistical comparisons. For most materials, scanning sequences eliciting artefact volumes in the following (ascending) order FSE-T1/FSE-T2 < FSPGR/SPGR < GRASS/GRE < FIESTA < EPI. For all scanning sequences, artefact volumes containing Au, Al, Ag and Au-Pd-Ag were significantly smaller than other materials (in which artefact volume size increased, respectively, from Ti < NC < CC). The artefact-specific shape (elicited by the cubic sample) depended on the scanning plane (i.e. a circular pattern for the axial plane and a "clover-like" pattern for the sagittal plane). The availability of standardized information on artefact size and configuration during MRI will enhance diagnosis when faced with metallic compounds in the OMR.

  19. Safety Evaluation of Osun River Water Containing Heavy Metals and Volatile Organic Compounds (VOCs) in Rats.

    Science.gov (United States)

    Azeez, L; Salau, A K; Adewuyi, S O; Osineye, S O; Tijani, K O; Balogun, R O

    2015-12-20

    This study evaluated the pH, heavy metals and volatile organic compounds (VOCs) in Osun river water. It also evaluated its safety in rats. Heavy metals were determined by atomic absorption spectrophotometry (AAS) while VOCs were determined by gas chromatography coupled with flame ionization detector (GC-FID). Male and female rats were exposed to Osun river water for three weeks and then sacrificed. The abundance of heavy metals in Osun river followed the trend Pb > Cd > Zn > Fe > Cr > Cu while VOCs followed the trend benzene < ethylbenzene < toluene < xylene. The concentrations of Pb, Cd and benzene were higher than the permissible limits of Standards Organization of Nigeria (SON) and World Health Organization (WHO) respectively. Rats exposed to Osun river water for three weeks had increased WBC, thiobarbituric acid reactive substances (TBARS), serum proteins and serum aminotransferases. There were also significant decreases in HCT, PLT, liver aminotransferases and liver glutathione compared to the control. These results show that the pollutants in Osun river water are capable of inducing hematological imbalance and liver cell injury. The toxicity induced in blood was sex-dependent affecting female rats more than male rats.

  20. Preparation of Metallic Aluminum Compound Particles by Submerged Arc Discharge Method in Aqueous Media

    Science.gov (United States)

    Liao, Chih-Yu; Tseng, Kuo-Hsiung; Lin, Hong-Shiou

    2013-02-01

    Fine metal particles are produced by chemical methods, which add surfactants to control particle size and concentration. This study used the submerged arc discharge method (SADM) to prepare metal fluid containing nanoparticles and submicron particles in pure dielectric fluid (deionized water or alcohol). The process is fast and simple, and it does not require the addition of chemical agents. The SADM uses electrical discharge machining (EDM) equipment, and the key parameters of the production process include discharge voltage, current, and pulse discharge on-off duration. This study added a capacitive component between the electrodes and the electrode Z-axis regulation in the control parameters to render the aluminum fluid process smooth, which is the main difference of this article from the literature. The experimental results showed that SADM can produce aluminum particles from nanometer to submicron grade, and it can obtain different compounds from different dielectric fluids. The dielectric fluids used in this study were deionized water and ethanol, and aluminum hydroxide Al(OH)3 particles with suspending power and precipitated aluminum particles were obtained, respectively. The preparations of metal colloid and particles by the SADM process have the characteristics of low cost, high efficiency, high speed, and mass production. Thus, the process has high research value and developmental opportunities.

  1. Tunable hydrogen storage in magnesium-transition metal compounds: First-principles calculations

    Science.gov (United States)

    Er, Süleyman; Tiwari, Dhirendra; de Wijs, Gilles A.; Brocks, Geert

    2009-01-01

    Magnesium dihydride (MgH2) stores 7.7wt% hydrogen but it suffers from a high thermodynamic stability and slow (de)hydrogenation kinetics. Alloying Mg with lightweight transition metals (TM) (=Sc,Ti,V,Cr) aims at improving the thermodynamic and kinetic properties. We study the structure and stability of MgxTM1-xH2 compounds, x=[0-1] , by first-principles calculations at the level of density functional theory. We find that the experimentally observed sharp decrease in hydrogenation rates for x≳0.8 correlates with a phase transition of MgxTM1-xH2 from a fluorite to a rutile phase. The stability of these compounds decreases along the series Sc, Ti, V, and Cr. Varying the TM and the composition x , the formation enthalpy of MgxTM1-xH2 can be tuned over the substantial range of 0-2 eV/f.u. Assuming however that the alloy MgxTM1-x does not decompose upon dehydrogenation, the enthalpy associated with reversible hydrogenation of compounds with a high magnesium content (x=0.75) is close to that of pure Mg.

  2. Quinazolinone derivative: Model compound for determination of dipole moment, solvatochromism and metal ion sensing

    Science.gov (United States)

    Al-Sehemi, Abdullah G.; Pannipara, Mehboobali; Kalam, Abul

    2017-01-01

    A dihydroquinazolinone derivative 2-(2,4-Dimethoxy-phenyl)-2,3-dihydro-1H-quinazolin-4-one (1) was synthesized and characterized by 1H NMR, 13C NMR and FT-IR and its spectral, photophysical, intramolecular charge transfer characteristics were studied by absorption and emission spectroscopy. The compound exhibits significant changes in their photophysical properties depending on the solvent polarity. The observed bathochromic emission band and difference in Stokes shift on changing the polarity of the solvents clearly demonstrate the highly polar character of the excited state, which is also supported by the enhancement of dipole moment of the molecule upon photoexcitation. Solvatochromic shift methods based on Lippert-Mataga, Bakhshiev-Kawski and Reichardt's correlations were applied to calculate the ground, excited and change in dipole moments. The effect of solute-solvent interactions on compound 1 was studied using multi-parameter solvent polarity scales proposed by Kamlet-Taft and Catalan. The interactions of various metal ions on compound 1 were also studied using steady state fluorescence measurements. The emission profile reveals that it acts as on-off type fluorescent chemosensor for selective and sensitive detection of Hg2 + ions. Complexation stoichiometry and mechanism of quenching were determined from Benesi-Hildebrand and Stern-Volmer plot.

  3. Acrylonitrile: a suspected human carcinogen.

    Science.gov (United States)

    Koerselman, W; van der Graaf, M

    1984-01-01

    The literature on carcinogenicity of acrylonitrile (an important intermediate in the chemical industry) is reviewed. The three main conclusions are: (1) Acrylonitrile has genotoxic effects in various tests in microorganisms and in mammal cells. (2) Chronic exposure to acrylonitrile causes tumours in rats. (3) Results of epidemiological studies indicate that acrylonitrile may be a human carcinogen. From this it is clear that acrylonitrile is very probably carcinogenic to humans. Therefore the authors plead for a reduction of acrylonitrile standards to the lowest practicable limit.

  4. Carcinogen testing. Fact and fallacy.

    Science.gov (United States)

    Moore, J A

    1988-10-15

    In the absence of human information on the carcinogenicity of chemical substances, one must rely primarily on information from long-term animal testing. Although far from perfect, animal studies seem to be reasonable predictors of the human experience, both qualitatively and quantitatively. Short-term tests for genotoxicity may be helpful for establishing priorities for chemical testing, but they are not as strong indicators of potential carcinogenicity as had been previously thought. New directions in toxicologic research hold the promise for scientists being able to perform more reasoned assessments of carcinogenic risk.

  5. [IN VIVO EFFECT OF RED WINE UNDILUTED, DILUTED (75%) AND ALCOHOL-FREE ON THE GENOTOXIC DAMAGE INDUCED BY POTENTIAL CARCINOGENIC METALS: CHROMIUM [VI

    Science.gov (United States)

    García Rodríguez, María del Carmen; Mateos Nava, Rodrigo Aníbal; Altamirano Lozano, Mario

    2015-10-01

    Introducción: la carcinogénesis puede ser iniciada y promovida por el daño oxidativo al ADN. Los compuestos de cromo (Cr) [VI] generan estrés oxidativo (EOx) y son reconocidos como cancerígenos en humanos. En este sentido, se plantea que bebidas que presentan un alto potencial antioxidante, como el vino tinto, pudieran tener efectos protectores o moduladores del daño oxidativo al ADN. Objetivo: estudiar los efectos de la administración in vivo de vino tinto sin diluir, diluido (75%) y sin alcohol, sobre el daño genotóxico inducido por metales cancerígenos (Cr [VI]), mediante la evaluación de micronúcleos (MN) en eritrocitos policromáticos (EPC) de ratones (CD-1). Material y método: se conformaron aleatoriamente los siguientes grupos: (i) testigo, (ii) vino tinto sin diluir, diluido o sin alcohol (libre acceso), (iii) CrO3 (20 mg/kg por vía intraperitoneal) y (iv) vino tinto-CrO3. Las evaluaciones se realizaron en muestras de sangre obtenidas de la vena caudal, en las que se identificaron los MN en EPC antes, durante y después de los tratamientos. Resultados y discusión: el vino tinto (diluido y sin alcohol) fue capaz de disminuir los promedios de MN inducidos por el CrO3, lo que muestra su capacidad para modular in vivo el daño oxidativo al ADN causado por cancerígenos inductores de EOx. La administración únicamente de vino tinto sin diluir presentó efectos tóxicos. Conclusiones: nuestros resultados generan expectativas sobre el empleo de sustancias como el vino tinto en la protección o modulación del daño genotóxico, lo que podría conducir a su aplicación en los procesos de carcinogénesis y mutagénesis.

  6. Oxidative Stress in the Carcinogenicity of Chemical Carcinogens

    Energy Technology Data Exchange (ETDEWEB)

    Kakehashi, Anna; Wei, Min [Department of Pathology, Osaka City University Graduate School of Medicine, 1-4-3 Asahi-machi, Abeno-Ku, Osaka 545-8585 (Japan); Fukushima, Shoji [Japan Bioassay Research Center, Japan Industrial Safety and Health Association, 2445 Hirasawa, Hadano, Kanagawa 257-0015 (Japan); Wanibuchi, Hideki, E-mail: wani@med.osaka-cu.ac.jp [Department of Pathology, Osaka City University Graduate School of Medicine, 1-4-3 Asahi-machi, Abeno-Ku, Osaka 545-8585 (Japan)

    2013-10-28

    This review highlights several in vivo studies utilizing non-genotoxic and genotoxic chemical carcinogens, and the mechanisms of their high and low dose carcinogenicities with respect to formation of oxidative stress. Here, we survey the examples and discuss possible mechanisms of hormetic effects with cytochrome P{sub 450} inducers, such as phenobarbital, α-benzene hexachloride and 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane. Epigenetic processes differentially can be affected by agents that impinge on oxidative DNA damage, repair, apoptosis, cell proliferation, intracellular communication and cell signaling. Non-genotoxic carcinogens may target nuclear receptors and induce post-translational modifications at the protein level, thereby impacting on the stability or activity of key regulatory proteins, including oncoproteins and tumor suppressor proteins. We further discuss role of oxidative stress focusing on the low dose carcinogenicities of several genotoxic carcinogens such as a hepatocarcinogen contained in seared fish and meat, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline, arsenic and its metabolites, and the kidney carcinogen potassium bromate.

  7. Oxidative Stress in the Carcinogenicity of Chemical Carcinogens

    Directory of Open Access Journals (Sweden)

    Hideki Wanibuchi

    2013-10-01

    Full Text Available This review highlights several in vivo studies utilizing non-genotoxic and genotoxic chemical carcinogens, and the mechanisms of their high and low dose carcinogenicities with respect to formation of oxidative stress. Here, we survey the examples and discuss possible mechanisms of hormetic effects with cytochrome P450 inducers, such as phenobarbital, a-benzene hexachloride and 1,1-bis(p-chlorophenyl-2,2,2-trichloroethane. Epigenetic processes differentially can be affected by agents that impinge on oxidative DNA damage, repair, apoptosis, cell proliferation, intracellular communication and cell signaling. Non-genotoxic carcinogens may target nuclear receptors and induce post-translational modifications at the protein level, thereby impacting on the stability or activity of key regulatory proteins, including oncoproteins and tumor suppressor proteins. We further discuss role of oxidative stress focusing on the low dose carcinogenicities of several genotoxic carcinogens such as a hepatocarcinogen contained in seared fish and meat, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline, arsenic and its metabolites, and the kidney carcinogen potassium bromate.

  8. Half-metallicity and magnetism of quaternary Heusler compounds CoRuTiZ (Z=Si, Ge, and Sn)

    Science.gov (United States)

    Bahramian, S.; Ahmadian, F.

    2017-02-01

    First-principle calculations based on the density functional theory for new quaternary Heusler compounds CoRuTiZ (Z=Si, Ge, and Sn) were performed. It was found that all three compounds were stable at YI structure in ferromagnetic state. The CoRuTiSi, CoRuTiGe, and CoRuTiSn were half-metal with integer magnetic moments of 1.00 μB per formula unit and half-metallic gaps of 0.13, 0.10, and 0.01 eV at their equilibrium volume, respectively. The density of states (DOSs) and band structures of these compounds were studied and the origin of half-metallicity was discussed. The CoRuTiSi, CoRuTiGe, and CoRuTiSn compounds showed half-metallic characteristics at lattice constants ranges of 5.77-6.36 Å, 5.66-6.16 Å, and 5.83-6.23 Å, indicating the lattice distortion did not affect the half-metallic properties of these compounds which makes them interesting materials in the spintronic field.

  9. Perspectives from ab-initio and tight-binding: Applications to transition metal compounds and superlattices

    Science.gov (United States)

    Venkataraman, Vijay Shankar

    The experimental and theoretical study of transition metal compounds have occupied condensed matter physicists for the best part of the last century. The rich variety of physical behaviour exhibited by these compounds owes its origin to the subtle balance of the energy scales at play for the d orbitals. In this thesis, we study three different systems comprised of transition metal atoms from the third, the fourth, and the fifth group of the periodic table using a combination of ab-initio density functional theory (DFT) computations and effective tight-binding models for the electronic properties. We first consider the electronic properties of artificially fabricated perovskite superlattices of the form [(SrIrO3)m / SrTiO3] with integer m denoting the number of layers of SrIrO3. After discussing the results of experiments undertaken by our collaborators, we present the results of our DFT calculations and build tight-binding models for the m = 1 and m = 2 superlattices. The active ingredient is found to be the 5d orbitals with significant spin-orbit coupling. We then study the energies of magnetic ground states within DFT and compare and contrast our results with those obtained for the bulk Ruddlesden-Popper iridates. Together with experimental measurements, our results suggest that these superlattices are an exciting venue to probe the magnetism and metal-insulator transitions that occur from the intricate balance of the spin-orbit coupling and electron interactions, as has been reported for their bulk counterparts. Next, we consider alpha-RuCl3, a honeycomb lattice compound. We first show using DFT calculations in conjunction with experiments performed by our collaborators, how spin-orbit coupling in the 4d orbitals of Ru is essential to understand the insulating state realized in this compound. Then, in the latter half of the chapter, we study the magnetic ground states of a two-dimensional analogue of alpha-RuCl3 in weak and strong-coupling regimes obtained from

  10. A tomato stem cell extract, containing antioxidant compounds and metal chelating factors, protects skin cells from heavy metal-induced damages.

    Science.gov (United States)

    Tito, Annalisa; Carola, Antonietta; Bimonte, Marida; Barbulova, Ani; Arciello, Stefania; de Laurentiis, Francesco; Monoli, Irene; Hill, Jacqueline; Gibertoni, Simone; Colucci, Gabriella; Apone, Fabio

    2011-12-01

    Heavy metals can cause several genotoxic effects on cells, including oxidative stress, DNA sequence breakage and protein modification. Among the body organs, skin is certainly the most exposed to heavy metal stress and thus the most damaged by the toxic effects that these chemicals cause. Moreover, heavy metals, in particular nickel, can induce the over-expression of collagenases (enzymes responsible for collagen degradation), leading to weakening of the skin extracellular matrix. Plants have evolved sophisticated mechanisms to protect their cells from heavy metal toxicity, including the synthesis of metal chelating proteins and peptides, such as metallothioneins and phytochelatins (PC), which capture the metals and prevent the damages on the cellular structures. To protect human skin cells from heavy metal toxicity, we developed a new cosmetic active ingredient from Lycopersicon esculentum (tomato) cultured stem cells. This product, besides its high content of antioxidant compounds, contained PC, effective in the protection of skin cells towards heavy metal toxicity. We have demonstrated that this new product preserves nuclear DNA integrity from heavy metal damages, by inducing genes responsible for DNA repair and protection, and neutralizes the effect of heavy metals on collagen degradation, by inhibiting collagenase expression and inducing the synthesis of new collagen. © 2011 Arterra Bioscience srl. ICS © 2011 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  11. [Fiber as a carcinogenic agent].

    Science.gov (United States)

    Pott, F

    1987-04-01

    According to the findings that long, thin, and durable fibres have a high carcinogenic potency after intrapleural and intraperitoneal administration, the elongated shape of a particle represents a carcinogenic agent; this physical phenomenon is a special cause of cancer. It induces a biological process which can lead to cancer by several as yet unknown steps. However, the properties of the material the fibres are made of determine the carcinogenic potency of a fibre in a secondary way although they do not seem to be responsible for the true carcinogenic agent. For example, these properties determine the degree of solubility and flexibility. The persistence of fibres in the tissue is a very important property with regard to their carcinogenic effect because the formation of a tumour takes many years or some decades. It can be assumed that a fibre has to remain by the bronchial or serosa tissue until the induction of tumour cells occurs. If this hypothesis is correct, there could be a "durability threshold value" for fibres whose length and diameter would otherwise indicate a high carcinogenic potency. There are indications that other fibre properties apart from length, diameter and durability are important for tumour induction, however, at present, they cannot be included in a definition of carcinogenic fibres. It is proposed to classify all natural and man-made mineral fibres with an aspect ratio of greater than 5:1 as carcinogenic when they are longer than 3 microns, thinner than 1 micron (or can split into such fine fibres) and when they can persist in the tissue for more than 3 years.

  12. Unified explanation of chemical ordering, the Slater-Pauling rule, and half-metallicity in full Heusler compounds

    Science.gov (United States)

    Faleev, Sergey V.; Ferrante, Yari; Jeong, Jaewoo; Samant, Mahesh G.; Jones, Barbara; Parkin, Stuart S. P.

    2017-01-01

    In the present work we developed an orbital coupling model for cubic full Heusler compounds that provides a unified set of rules that account for the chemical ordering, magnetic moment, and composition of the most promising candidates for half-metallicity. The origin and limitations of the rules are clearly described. To the best of our knowledge all of the several dozen half-metallic Heusler compounds known in the literature that follow the Mt=Nt-24 or Mt=Nt-28 generalized Slater-Pauling behavior satisfy the derived half-metallicity rule. Calculations performed by using density functional theory—performed for 259 compounds—confirm the validity of our model and derived rules for broad classes of Heusler compounds.

  13. Pioneering Metal-Free Oxidative Coupling Strategy of Aromatic Compounds Using Hypervalent Iodine Reagents.

    Science.gov (United States)

    Kita, Yasuyuki; Dohi, Toshifumi

    2015-10-01

    We started our hypervalent iodine research about 30 years ago in the mid-1980s. We soon successfully developed the single-electron-transfer oxidation ability of a hypervalent iodine reagent, specifically, phenyliodine(III) bis(trifluoroacetate) (PIFA), toward aromatic rings of phenyl ethers for forming aromatic cation radicals. This was one of the exciting and unexpected events in our research studies so far, and the discovery was reported in 1991. It also led to the next challenge, developing the metal-free oxidative couplings for C-H functionalizations and direct couplings between the C-H bonds of valuable aromatic compounds in organic synthesis. In order to realize the effective oxidative coupling, pioneering new aromatic ring activations was essential and several useful methodologies have been found for oxidizable arenes. The achievements regarding this objective obtained in our continuous research are herein summarized with classification of the aromatic ring activation strategies.

  14. Structures of rare earth-transition metal rich compounds derived from CaCu5 type

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The properties of materials have a close connect ion to their crystal structures. Rare earth (R)-transition metal (T) rich compo und are the focus of investigation in the search for new hard magnetic materials . As the basis for the study of stabilized effect of the third component on the fo rmation of RT5 derivative and its influence of the occupied sites on magnetic properties, in this paper, the possible derivative compounds based on the RT5 primitive unit cell of the CaCu5 structure type formed through the ordered or disordered substitution of dumbbell pair 2T atoms for the R atoms at some sit es, and the structural relationship between the derivatives and the prototype ar e summarized.

  15. Structural and property studies on metal-organic compounds with 3-D supramolecular network

    Science.gov (United States)

    Zhang, Qi-Ying; Ma, Ke-Fang; Xiao, Hong-Ping; Li, Xin-Hua; Shi, Qian

    2014-07-01

    Two carboxylato-bridged allomeric compounds, {[Cu2(dbsa)2(hmt) (H2O)4]1/2·2H2O}n (1), {[Ni(dbsa)(H2O)2]1/2[Ni(dbsa)(hmt)(H2O)2]1/2·2H2O}n (2) (H2dbsa=meso-2,3-dibromosuccinic acid, hmt=hexamethylenetetramine) have been synthesized and characterized by X-ray structral analyses. The metal ions have two kinds of coordination fashion in one unit, and bridged by carboxylate and hmt ligands along with weak interactions existing in the solid structure, forming a 3-D supramolecular network. Variable-temperature magnetic property studies reveal the existence of antiferromagnetic interactions in 1 and 2 with g=2.2, J1=-3.5 cm-1, J2=-2.8 cm-1 for 1, and g=2.1, J=-3.5 cm-1 for 2.

  16. EDITORIAL: New materials with high spin polarization: half-metallic Heusler compounds

    Science.gov (United States)

    Felser, Claudia; Hillebrands, Burkard

    2007-03-01

    The development of magnetic Heusler compounds, specifically designed as materials for spintronic applications, has made tremendous progress in the very recent past [1-21]. Heusler compounds can be made as half-metals, showing a high spin polarization of the conduction electrons of up to 100% [1]. These materials are exceptionally well suited for applications in magnetic tunnel junctions acting, for example, as sensors for magnetic fields. The tunnelling magneto-resistance (TMR) effect is the relative change in the electrical resistance upon application of a small magnetic field. Tunnel junctions with a TMR effect of 580% at 4 K were reported by the group of Miyazaki and Ando [1], consisting of two Co2MnSi Heusler electrodes. High Curie temperatures were found in Co2 Heusler compounds with values up to 1120 K in Co2FeSi [2]. The latest results are for a TMR device made from the Co2FeAl0.5Si0.5 Heusler compound and working at room temperature with a TMR effect of 174% [3]. The first significant magneto-resistance effect was discovered in Co2Cr0.6Fe0.4Al (CCFA) in Mainz [4]. With the classical Heusler compound CCFA as one electrode, the record TMR effect at 4 K is 240% [5]. Positive and negative TMR values at room temperature utilizing magnetic tunnel junctions with one Heusler compound electrode render magnetic logic possible [6]. Research efforts exist, in particular, in Japan and in Germany. The status of research as of winter 2005 was compiled in a recent special volume of Journal of Physics D: Applied Physics [7-20]. Since then specific progress has been made on the issues of (i) new advanced Heusler materials, (ii) advanced characterization, and (iii) advanced devices using the new materials. In Germany, the Mainz and Kaiserslautern based Research Unit 559 `New Materials with High Spin Polarization', funded since 2004 by the Deutsche Forschungsgemeinschaft, is a basic science approach to Heusler compounds, and it addresses the first two topics in particular

  17. Application of humic compounds for remediation of soils contaminated with heavy metals: the benefits and risks

    Science.gov (United States)

    Motuzova, Galina; Barsova, Natalia; Stepanov, Andrey; Kiseleva, Violetta; Kolchanova, Ksenia; Starkova, Irina; Karpukhin, Mikhail

    2015-04-01

    found to contain only 3-9% of copper. The content of free Cu2+ ions in the sample extract was negligible. The samples used for field experiments were tested in laboratory to estimate their sorption capacity for Cu. For this purpose, 300 g of substrate (loam and mixed organic substrate) with addition of water (control) and humic preparation (same dose as in the field experiment) were kept in the laboratory for 1 week. Soil samples were then dried and brought into equilibrium with the solution of copper sulfate at concentration of 50 mg/l. The concentration of copper in the solution in equilibrium with HC was 2.5-4 times higher than in the control variant; absorption of copper by solid phase decreased by 5-6%. Results of the laboratory study were in good agreement with the results of the field experiment. Addition of HC increased the content of soluble organic matter and copper complexation by an order of magnitude and thus reduced the activity of copper ions in the liquid phase that was treated as a possible remediation effect of the humic compound for plants and biota. However the increased total metal content mainly in a migration-capable form (negatively charged complexes with organic matter) may increase the risk of contaminating ground waters with heavy metals. Therefore, application of the artificial humic compounds for remediation of soils contaminated with heavy metals requires monitoring and further development of means to prevent their migration.

  18. 18. Adduct detection in human monitoring for carcinogen exposure

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@Determination of the covalently bound products (adducts) of carcinogens with DNA or proteins may be used for the monitoring of exposure to these compounds. Protein adducts are generally stable and are not enzymatically repaired, and the use of these for cxposure monitoring is normally carried out with globin or albumin, because

  19. [Evaluation of compounding EDTA and citric acid on remediation of heavy metals contaminated soil].

    Science.gov (United States)

    Yin, Xue; Chen, Jia-Jun; Cai, Wen-Min

    2014-08-01

    As commonly used eluents, Na2EDTA (EDTA) and citric acid (CA) have been widely applied in remediation of soil contaminated by heavy metals. In order to evaluate the removal of arsenic, cadmium, copper, and lead in the contaminated soil collected in a chemical plant by compounding EDTA and CA, a series of stirring experiments were conducted. Furthermore, the changes in speciation distribution of heavy metals before and after washing were studied. The results showed that, adopting the optimal molar ratio of EDTA/CA (1:1), when the pH of the solution was 3, the stirring time was 30 min, the stirring rate was 150 r x min(-1) and the L/S was 5:1, the removal rates of arsenic, cadmium, copper and lead could reach 11.72%, 43.39%, 24.36% and 27.17%, respectively. And it was found that after washing, for arsenic and copper, the content of acid dissolved fraction rose which increased the percentage of available contents. Fe-Mn oxide fraction mainly contributed to the removal of copper. As for cadmium, the percentages of acid dissolved fraction, Fe-Mn oxide fraction and organic fraction also decreased. In practical projects, speciation changes would pose certain environmental risk after soil washing, which should be taken into consideration.

  20. Electronic Structures of Square Planar Coordinated Transition Metal Ions in Compounds with Gillespite Structure

    Institute of Scientific and Technical Information of China (English)

    林传易

    1990-01-01

    Electronic structures of square planar coordinated transition metal ions in BaCuSi4O10 and CaCrSi4O10 are investigated using the ligand-field theory(LFT),angular overlap model(AOM) and iterative extended Hueckel molecular orbital theory(IET).The electronic energy levels of the natural mineral dioptase are also investigated,in which the Cu2+ ions occupy the sites of pseudo D4h symmetry,Both LFT and AOM predict that the crystal-field levels of transition metal ions in these compounds follow such an order that E(2B1g)

  1. Adsorptive removal of nitrogen-containing compounds from fuel by metal-organic frameworks

    Institute of Scientific and Technical Information of China (English)

    Zhaoyang; Wang; Zhiguo; Sun; Linghao; Kong; Gang; Li

    2013-01-01

    The adsorptive denitrogenation from fuels over three metal-organic frameworks(MIL-96(Al),MIL-53(Al)and MIL-101(Cr))was studied by batch adsorption experiments.Four nitrogen-containing compounds(NCCs)pyridine,pyrrole,quinoline and indole were used as model NCCs in fuels to study the adsorption mechanism.The physicochemical properties of the adsorbents were characterized by XRD,N2physical adsorption,FT-IR spectrum and Hammett indicator method.The metal-organic frameworks(MOFs),especially the MIL-101(Cr)containing Lewis acid sites as well as high specific surface area,can adsorb large quantities of NCCs from fuels.In addition,the adsorptive capacity over MIL-101(Cr)will be different for NCCs with different basicity.The stronger basicity of the NCC is,the more it can be absorbed over MIL-101(Cr).Furthermore,pore size and shape also affect the adsorption capacity for a given adsorbate,which can be proved by the adsorption over MIL-53(Al)and MIL-96(Al).The pseudo-second-order kinetic model and Langmuir equation can be used to describe kinetics and thermodynamics of the adsorption process,respectively.Finally,the regeneration of the used adsorbent has been conducted successfully by just washing it with ethanol.

  2. Uptake of iodide by a mixture of metallic copper and cupric compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lefevre, G.; Alnot, M.; Ehrhardt, J.J.; Bessiere, J. [Univ. Henri Poincare Nancy 1, Villers les Nancy (France). Lab. de Chimie Physique pour l`Environnement

    1999-05-15

    Environmental contaminants harmful to the health of present and future generations involve nuclear fission products as iodine radioisotopes. {sup 129}I is potentially one of the more mobile products because of its long half-life and its tendency to go into solution as an anion that is not retarded with silicate minerals. Ability of copper/cupric compound mixtures to remove iodide from solution was investigated to predict sorption of radioactive iodine in the environment and to assess their use in a nuclear reprocessing method. Thermodynamic calculations were performed to study the stability of such mixtures in solution and to obtain equilibrium constants of Cu(0)/Cu(II)/I{sup {minus}} and Cu(0)/Cu(II)/Cl{sup {minus}} systems. Both calculations and experimental results showed that a Cu(0)/Cu{sub 3}(OH){sub 2}(CO{sub 3}){sub 2} (azurite) mixture selectively uptakes iodide ions (initial concentrations: 10{sup {minus}2} and 10{sup {minus}1} M) in the presence of 10{sup {minus}1} M chloride ions. Reaction of iodide with copper powder and azurite crystal or copper plate and azurite powder have also been investigated, leading to precipitation of CuI onto massive copper phase. The different solids were separately analyzed by XPS and MEB-EDX, giving some insight in the uptake mechanism. It is proposed that soluble copper released by the cupric compound is reduced at the surface of metallic copper, leading to a preferential precipitation of CuI on copper surface.

  3. Adsorption on Mesoporous Metal-Organic Frameworks in Solution: Aromatic and Heterocyclic Compounds.

    Science.gov (United States)

    Samokhvalov, Alexander

    2015-11-16

    Adsorption and desorption play major roles in separations, purification of water, waste streams, liquid fuels, catalysis, biomedicine and chromatography. Mesoporous metal-organic frameworks (MOFs) with pore sizes 2-50 nm are particularly suitable for adsorption of organic compounds in solution. Tens of thousands of aromatic and heterocyclic compounds are major components of liquid fuels, feedstock for industrial synthesis, solvents, dyestuffs, agricultural chemicals, medicinal drugs, food additives, and so forth. This Review provides a systematization and analysis of studies on adsorption/desorption on mesoporous MOFs in solution and their underlying chemical mechanisms. The (in)stability of mesoporous MOFs in water is critically discussed. Adsorption capacity and selectivity are covered for organic dyes, medicinal drugs, major components of liquid fuels, and miscellaneous industrial chemicals. Ionic interactions, Brønsted acid-base interactions, hydrogen bonding, coordination bonding, π-π interactions, and non-specific interactions are covered amongst adsorption mechanisms. The effects of post-synthetic modifications of mesoporous MOFs on their stability, adsorption capacity, selectivity, and mechanisms of adsorption and desorption are analyzed. To encourage research in this quickly growing field, we identify "niches" for which no application-oriented and/or mechanistic studies were reported. Perspectives and limitations of a wide use of mesoporous MOFs as industrial sorbents are discussed.

  4. Study of Recycled and Virgin Compounded Metal Injection Moulded Feedstock for Stainless Steel 630

    Science.gov (United States)

    Manonukul, Anchalee; Likityingwara, Warakij; Rungkiatnawin, Phataraporn; Muenya, Nattapol; Amoranan, Suttha; Kittinantapol, Witoo; Surapunt, Suphachai

    Fine rounded powders preferable for metal injection moulding (MIM) are expensive. This forces MIM makers to recycle green scraps, for example, the runner system and defected green parts. This is particularly necessary for injection moulded small parts where parts are only a small portion of the injection short size. There is very little published data, although recycling feedstock has been practise throughout the industry. This work aims at investigating the effects of recycled stainless steel 630 feedstock content on the density, mechanical properties, dimensional changes and microstructure. Five batches of compounded virgin and recycled feedstock were studies from 0% to 100% recycled feedstock with the increment of 25%. Homogenously compounded feedstock was injected using the same injection condition. Subsequently, green parts were debinded and sintered at 1325°C for 2 hours in argon atmosphere. The results suggest that the green density increases linearly with increasing percentage of recycled feedstock because the polymeric binder was broken down during previous process. However, the sintered density remains nominally constant. As a result, the mechanical properties and microstructure of sintered parts are independent of recycled feedstock content. However, the volumetric and linear shrinkage decreases linearly with the increase in percentage of recycled feedstock. The difference in shrinkage is vital to dimensional control during commercial production. For example, only 4.5% of recycled feedstock can be added to virgin feedstock if a tolerance of ±0.3 mm is required for a 25 mm MIM part.

  5. The heavy metal ions (Cu2+, Zn2+, Cd+) toxic compounds influence on triticale plants growth

    Science.gov (United States)

    Brezoczki, V. M.; Filip, G. M.

    2017-05-01

    The presence of the heavy metals toxic compounds (CuSO4 · 5H2O, ZnSO4 · 7H2O and 3CdSO4·8H2O) in water and soil can be observed by their negative effects on the germination and growth process for different vegetable (barley, oat, maize) who are used for human and animal consumption. This paper it aims the determination of germination and growth inhibition negative effects for triticale plants in the heavy metals ions presence by ecotoxicological laboratory tests. The triticale plants was chosen for their different characteristics to the other grasses respectively: a very good resistance for a wide range of diseases, an accelerated growth and a very good tolerance for aluminum ions presents in acid soils. The determinations were conducted step by step, first, we put the triticale grains in contact with the heavy metal solutions with different concentration then for 3 days we noticed the triticale germination inhibition effects and finally we noticed the growth inhibition process for triticale plants respectively in 7th and 9th day from the start of the experiment. At the end of the tests we can conclude that the triticale roots have a very great sensibility to a CuSO4 solutions compared to the effects for their stalks. A positive effect for triticale stalks we can see for low CuSO4 solution concentrations thus for 5 mg Cu/l the growth is 19,44%. A positive effect for triticale roots it can see for low ZnSO4 solution concentrations so for 5 - 15 mg Zn/l the growth is 24,4%. In the presence of the CdSO4 solution all the processes are inhibited (germination and growth for triticale plants) even for a low concentrations for this toxic.

  6. Serum heavy metals and hemoglobin related compounds in Saudi Arabia firefighters

    Directory of Open Access Journals (Sweden)

    Al-Malki Abdulrahman L

    2009-07-01

    Full Text Available Abstract Background Firefighters are frequently exposed to significant concentrations of hazardous materials including heavy metals, aldehydes, hydrogen chloride, dichlorofluoromethane and some particulates. Many of these materials have been implicated in the triggering of several diseases. The aim of the present study is to investigate the effect of fire smoke exposure on serum heavy metals and possible affection on iron functions compounds (total iron binding capacity, transferrin saturation percent, ferritin, unsaturated iron-binding capacity blood hemoglobin and carboxyhemoglobin,. Subjects and methods Two groups of male firefighter volunteers were included; the first included 28 firefighters from Jeddah city, while the second included 21 firefighters from Yanbu city with an overall age rang of 20–48 years. An additional group of 23 male non-firefighters volunteered from both cities as normal control subjects. Blood samples were collected from all volunteer subjects and investigated for relevant parameters. Results The results obtained showed that there were no statistically significant changes in the levels of serum heavy metals in firefighters as compared to normal control subjects. Blood carboxyhemoglobin and serum ferritin were statistically increased in Jeddah firefighters, (p Conclusion Such results might point to the need for more health protective and prophylactic measures to avoid such hazardous health effects (elevated Blood carboxyhemoglobin and serum ferritin and decreased serum TIBC and UIBC that might endanger firefighters working under dangerous conditions. Firefighters must be under regular medical follow-up through standard timetabled medical laboratory investigations to allow for early detection of any serum biochemical or blood hematological changes.

  7. Principles for prevention of toxic effects from metals

    DEFF Research Database (Denmark)

    Landrigan, Philip J.; Kotelchuk, David; Grandjean, Philippe

    2007-01-01

    and their compounds. An entirely new structure and illustrations represent the vast array of advancements made since the last edition. Special emphasis has been placed on the toxic effects in humans with chapters on the diagnosis, treatment and prevention of metal poisoning. This up-to-date reference provides easy...... and Toxicity Carcinogenicity of Metal Compounds Immunotoxicology of Metals Reproductive and Developmental Toxicity of Metals Ecotoxicology of Metals - Sources, Transport, and Effects in the Ecosystem Risk Assessment Diagnosis and Treatment of Metal Poisoning - General Aspects Principles for Prevention...... of the Toxic Effects of Metals Aluminum Antimony Arsenic Barium Beryllium Bismuth Cadmium Chromium Cobalt Copper Gallium and Semiconductor Compounds Germanium Indium Iron Lead Manganese Mercury Molybdenum Nickel Palladium Platinum Selenium Silver Tellurium Thallium Tin Titanium Tungsten Uranium Vanadium Zinc...

  8. Chemical and molecular regulation of enzymes that detoxify carcinogens

    Energy Technology Data Exchange (ETDEWEB)

    Prestera, T.; Holtzclaw, W.D.; Zhang, Y., Talalay, P. (John Hopkins Univ. School of Medicine, Baltimore, MD (United States))

    1993-04-01

    Inductions of detoxication (phase 2) enzymes, such as glutathione transferases and NAD(P)H:(quinone-acceptor) oxidoreductase, are a major mechanism for protecting animals and their cells against the toxic and neoplastic effects of carcinogens. These inductions result from enhances transcription, and they are evoked by diverse chemical agents: oxidizable diphenols and phenylenediamines; Michael reaction acceptors; organic isothiocyanates; other electrophiles-e.g., alkyl and aryl halides; metal ions-e.g., HgCl[sub 2] and CdCl[sub 2]; trivalent arsenic derivatives; vicinal dimercaptans; organic hydroperoxides and hydrogen peroxide; and 1,2-dithiole-3-thiones. The molecular mechanisms of these inductions were analyzed with the help of a construct containing a 41-bp enhancer element derived from the 5[prime] upstream region of the mouse liver glutathione transferase Ya subunit gene ligated to the 5[prime] end of the isolated promoter region of this gene, and inserted into a plasmid containing a human growth hormone reporter gene. When this construct was transfected into Hep G2 human hepatoma cells, the concentrations of 28 compounds (from the above classes) required to double growth hormone production, and the concentrations required to double quinone reductase specific activities in Hepa 1c1c7 cells, spanned a range of four orders of magnitude but were closely linearly correlated. Six compounds tested were inactive in both systems. A 26-bp subregion of the above enhancer oligonucleotide (containing the two tandem [open quotes]AP-1 like[close quotes] sites but lacking the preceding ETS protein binding sequence) was considerably less responsive to the same inducers. We conclude that the 41-bp enhancer element mediates most, if not all, of the phase 2 enzyme inducer activity of all of these widely different classes of compounds. 33 refs., 4 figs., 2 tabs.

  9. An investigation of carcinogenic agents at the Mississippi Sandhill Crane National Wildlife Refuge

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This report summarizes a study with the following results: 1. Three of the metals reported as carcinogens, arsenic, chromium, and nickel, were found within the range...

  10. First principles study on half-metallic properties of Heusler compounds Ti2VZ (Z=Al, Ga, and In)

    Science.gov (United States)

    Galehgirian, S.; Ahmadian, F.

    2015-01-01

    First principles calculations using the self-consistent full-potential linearized augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT) were performed to study the electronic structures and magnetic properties of new full-Heusler compounds Ti2VZ (Z=Al, Ga, and In). Electronic structure calculations showed that Ti2VZ (Z=Al, Ga, and In) compounds in AlCu2Mn-type are conventional ferrimagnets. The Ti2VAl, Ti2VGa, and Ti2VIn compounds in the CuHg2Ti-type structure have half-metallic characteristics with a respective majority band gap of 0.52, 0.51, and 0.59 eV at the equilibrium lattice parameter. The origin of half-metallicity in these compounds was also discussed. The total magnetic moments of Ti2VZ (Z=Al, Ga, and In) compounds in the CuHg2Ti-type structures were 2 μB per formula unit which were in agreement with Slater-Pauling rule (Mtot=18-Ztot). The Ti2VAl, Ti2VGa, and Ti2VIn compounds in the CuHg2Ti-type structure respectively showed half-metallic characteristics at lattice constants ranges of 6.12-7.17 Å, 5.99-7.12 Å, and 6.31-7.06 Å, indicating the lattice distortion did not affect the half-metallic properties of these compounds which makes them interesting materials in the spintronics field.

  11. Bioavailability of heavy metals in soil: impact on microbial biodegradation of organic compounds and possible improvement strategies.

    Science.gov (United States)

    Olaniran, Ademola O; Balgobind, Adhika; Pillay, Balakrishna

    2013-05-15

    Co-contamination of the environment with toxic chlorinated organic and heavy metal pollutants is one of the major problems facing industrialized nations today. Heavy metals may inhibit biodegradation of chlorinated organics by interacting with enzymes directly involved in biodegradation or those involved in general metabolism. Predictions of metal toxicity effects on organic pollutant biodegradation in co-contaminated soil and water environments is difficult since heavy metals may be present in a variety of chemical and physical forms. Recent advances in bioremediation of co-contaminated environments have focussed on the use of metal-resistant bacteria (cell and gene bioaugmentation), treatment amendments, clay minerals and chelating agents to reduce bioavailable heavy metal concentrations. Phytoremediation has also shown promise as an emerging alternative clean-up technology for co-contaminated environments. However, despite various investigations, in both aerobic and anaerobic systems, demonstrating that metal toxicity hampers the biodegradation of the organic component, a paucity of information exists in this area of research. Therefore, in this review, we discuss the problems associated with the degradation of chlorinated organics in co-contaminated environments, owing to metal toxicity and shed light on possible improvement strategies for effective bioremediation of sites co-contaminated with chlorinated organic compounds and heavy metals.

  12. Bioavailability of Heavy Metals in Soil: Impact on Microbial Biodegradation of Organic Compounds and Possible Improvement Strategies

    Directory of Open Access Journals (Sweden)

    Balakrishna Pillay

    2013-05-01

    Full Text Available Co-contamination of the environment with toxic chlorinated organic and heavy metal pollutants is one of the major problems facing industrialized nations today. Heavy metals may inhibit biodegradation of chlorinated organics by interacting with enzymes directly involved in biodegradation or those involved in general metabolism. Predictions of metal toxicity effects on organic pollutant biodegradation in co-contaminated soil and water environments is difficult since heavy metals may be present in a variety of chemical and physical forms. Recent advances in bioremediation of co-contaminated environments have focussed on the use of metal-resistant bacteria (cell and gene bioaugmentation, treatment amendments, clay minerals and chelating agents to reduce bioavailable heavy metal concentrations. Phytoremediation has also shown promise as an emerging alternative clean-up technology for co-contaminated environments. However, despite various investigations, in both aerobic and anaerobic systems, demonstrating that metal toxicity hampers the biodegradation of the organic component, a paucity of information exists in this area of research. Therefore, in this review, we discuss the problems associated with the degradation of chlorinated organics in co-contaminated environments, owing to metal toxicity and shed light on possible improvement strategies for effective bioremediation of sites co-contaminated with chlorinated organic compounds and heavy metals.

  13. Semivolatile organic compounds, organochlorine pesticides and heavy metals in sediments and risk assessment in Huaihe River of China

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The concentrations of semivolatile organic compounds, organochlorine pesticides and heavy metals in sediments from Jiangsu reach of Huaihe River, China, were presented. The organic compounds were extracted by acetone: n-hexane using a Soxhlet apparatus and concentrations were performed using HP6890 gas chromatography coupled by FID and ECD detector. The total contents of 8 heavy metals by inductively coupled plasma atomic emission spectrometry or cold-vapor/atomic absorption spectrometry were developed. 30 semivolatile organic compounds were detected, including substituted benzenes, phenols, phthalates and polycyclic aromatic hydrocarbons, from 0.01 to 3.01 mg/kg. 16 organochlorine pesticides were almost detected and from 0.010 to 2.339 μg/kg.Concentrations of major metals were 50 mg/kg or less, mean level of mercury was only 0.055 mg/kg. Compared to sediment quality guidelines (SQGs), concentrations of some semivolatile organic compounds were high enough to cause possible toxic effects to living resources. The organochlorine pesticides presented relatively low, lower than threshold effect concentrations (TECs), harmful effects on sediment-dwelling organisms were not expected. Chromium posed probable toxic effects to the living resources, other heavy metals had no threat temporarily according to SQGs.

  14. Glutathione-dependent interaction of heavy metal compounds with multidrug resistance proteins MRP1 and MRP2

    NARCIS (Netherlands)

    Wortelboer, H.M.; Balvers, M.G.J.; Usta, M.; Bladeren, P.J. van; Cnubben, N.H.P.

    2008-01-01

    The interactions of three heavy metal-containing compounds, cisplatin (CDDP), arsenic trioxide (As2O3), and mercury dichloride (HgCl2), with the multidrug resistance transporters MRP1 and MRP2 and the involvement of glutathione (GSH)-related processes herein were investigated. In Madin-Darby canine

  15. Glutathione-dependent interaction of heavy metal compounds with multidrug resistance proteins MRP1 and MRP2

    NARCIS (Netherlands)

    Wortelboer, H.M.; Balvers, M.G.J.; Usta, M.; Bladeren, van P.J.; Cnubben, N.H.P.

    2008-01-01

    The interactions of three heavy metal-containing compounds, cisplatin (CDDP), arsenic trioxide (AS(2)O(3)), and mercury dichloride (HgCl2), with the multidrug resistance transporters MRP1 and MRP2 and the involvement of glutathione (GSH)-related processes herein were investigated. In Madin-Darby can

  16. New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.

    Science.gov (United States)

    Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing

    2016-02-14

    Five new organic-inorganic hybrid compounds based on different polyoxoanions [HxGeW12O40](n-) or [H3As2W18O62](3-) (x = 0, 2; n = 4, 2), namely [Cu3(2,2'-bpy)3(inic)(OH)(H2O)][GeW12O40]·1.5H2O (1), [Cu2(phen)2(μ2-Cl)2(inic)]2[H2GeW12O40]·2H2O (2), [Cu2(phen)2(μ2-Cl)Cl(nic)]2[H2GeW12O40] (3), [Cu2(2,2'-bpy)2(hnic)Cl]2[H2GeW12O40] (4), [Cu(phen)(inic)H2O][Cu2(phen)2(inic)2(H2O)][H3As2W18O62]·3H2O (5) (inic = isonicotinic acid, nic = nicotinic acid, hnic = 2-hydroxy-nicotinic acid, 2,2'-bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline), have been synthesized and characterized by IR, UV-Vis, XRD, cyclic voltammetric measurements and single crystal X-ray diffraction analysis. Single crystal X-ray analysis reveals that compound 1 is isomorphous and isostructural with a compound reported by us recently, the main difference between the two is the heteroatom of the polyoxoanions in the two compounds. Compound 2 is a supramolecular structure constructed from polyoxoanions and transition metal mixed-organic-ligand complexes. Compound 3 is a novel polyoxoanion bi-supported transition metal mixed-organic-ligand complex. Compound 4 is a 1-D chain structure constructed from polyoxoanions and transition metal mixed-organic-ligand complexes. The photodegradation properties of compounds 1-5 have been analyzed.

  17. Flexible metal-organic framework compounds: In situ studies for selective CO{sub 2} capture

    Energy Technology Data Exchange (ETDEWEB)

    Allen, A.J., E-mail: andrew.allen@nist.gov [Material Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899-8520 (United States); Espinal, L.; Wong-Ng, W. [Material Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899-8520 (United States); Queen, W.L. [NIST Center for Neutron Research, Gaithersburg, MD 20899-6102 (United States); The Molecular Foundry, Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA 94720 (United States); Brown, C.M. [NIST Center for Neutron Research, Gaithersburg, MD 20899-6102 (United States); Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, DE 19716 (United States); Kline, S.R. [NIST Center for Neutron Research, Gaithersburg, MD 20899-6102 (United States); Kauffman, K.L. [National Energy Technology Laboratory (NETL), US Department of Energy, Pittsburgh, PA 15236 (United States); Culp, J.T. [National Energy Technology Laboratory (NETL), US Department of Energy, Pittsburgh, PA 15236 (United States); URS Corporation, South Park, PA 15219 (United States); Matranga, C. [National Energy Technology Laboratory (NETL), US Department of Energy, Pittsburgh, PA 15236 (United States)

    2015-10-25

    Results are presented that explore the dynamic structural changes occurring in two highly flexible nanocrystalline metal-organic framework (MOF) compounds during the adsorption and desorption of pure gases and binary mixtures. The Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN){sub 4}] and catena-bis(dibenzoylmethanato)-(4,4′-bipyridyl)nickel(II) chosen for this study are 3-D and 1-D porous coordination polymers (PCP) with a similar gate opening pressure response for CO{sub 2} isotherms at 303 K, but with differing degrees of flexibility for structural change to accommodate guest molecules. As such, they serve as a potential model system for evaluating the complex kinetics associated with dynamic structure changes occurring in response to gas adsorption in flexible MOF systems. Insights into the crystallographic changes occurring as the MOF pore structure expands and contracts in response to interactions with CO{sub 2}, N{sub 2}, and CO{sub 2}/N{sub 2} mixtures have been obtained from in situ small-angle neutron scattering and neutron diffraction, combined with ex situ X-ray diffraction structure measurements. The role of structure in carbon capture functionality is discussed with reference to the ongoing characterization challenges and a possible materials-by-design approach. - Graphical abstract: We present in situ small-angle neutron scattering results for two flexible metal-organic frameworks (MOFs). The figure shows that for one (NiBpene, high CO{sub 2} adsorption) the intensity of the Bragg peak for the expandable d-spacing most associated with CO{sub 2} adsorption varies approximately with the isotherm, while for the other (NiDBM-Bpy, high CO{sub 2} selectivity) the d-spacing, itself, varies with the isotherm. The cartoons show the proposed modes of structural change. - Highlights: • Dynamic structures of two flexible MOF CO{sub 2} sorbent compounds are compared in situ. • These porous solid sorbents serve as models for pure & dual gas adsorption. • Different

  18. A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

    Science.gov (United States)

    Kunaseth, Manaschai; Poldorn, Preeyaporn; Junkeaw, Anchalee; Meeprasert, Jittima; Rungnim, Chompoonut; Namuangruk, Supawadee; Kungwan, Nawee; Inntam, Chan; Jungsuttiwong, Siriporn

    2017-02-01

    Recently, elevated global emission of volatile organic compounds (VOCs) was associated to the acceleration and increasing severity of climate change worldwide. In this work, we investigated the performance of VOCs removal via modified carbon-based adsorbent using density functional theory. Here, four transition metals (TMs) including Pd, Pt, Ag, and Au were deposited onto single-vacancy defective graphene (SDG) surface to increase the adsorption efficiency. Five prototypical VOCs including benzene, furan, pyrrole, pyridine, and thiophene were used to study the adsorption capability of metal-deposited graphene adsorbent. Calculation results revealed that Pd, Pt, Au, and Ag atoms and nanoclusters bind strongly onto the SDG surface. In this study, benzene, furan and pyrrole bind in the π-interaction mode using delocalized π-electron in aromatic ring, while pyridine and thiophene favor X- interaction mode, donating lone pair electron from heteroatom. In terms of adsorption, pyridine VOC adsorption strengths to the TM-cluster doped SDG surfaces are Pt4 (-2.11 eV) > Pd4 (-2.05 eV) > Ag4 (-1.53 eV) > Au4 (-1.87 eV). Our findings indicate that TM-doped SDG is a suitable adsorbent material for VOC removal. In addition, partial density of states analysis suggests that benzene, furan, and pyrrole interactions with TM cluster are based on p-orbitals of carbon atoms, while pyridine and thiophene interactions are facilitated by hybridized sp2-orbitals of heteroatoms. This work provides a key insight into the fundamentals of VOCs adsorption on carbon-based adsorbent.

  19. NMR shielding calculations across the periodic table: diamagnetic uranium compounds. 2. Ligand and metal NMR.

    Science.gov (United States)

    Schreckenbach, Georg

    2002-12-16

    In this and a previous article (J. Phys. Chem. A 2000, 104, 8244), the range of application for relativistic density functional theory (DFT) is extended to the calculation of nuclear magnetic resonance (NMR) shieldings and chemical shifts in diamagnetic actinide compounds. Two relativistic DFT methods are used, ZORA ("zeroth-order regular approximation") and the quasirelativistic (QR) method. In the given second paper, NMR shieldings and chemical shifts are calculated and discussed for a wide range of compounds. The molecules studied comprise uranyl complexes, [UO(2)L(n)](+/-)(q); UF(6); inorganic UF(6) derivatives, UF(6-n)Cl(n), n = 0-6; and organometallic UF(6) derivatives, UF(6-n)(OCH(3))(n), n = 0-5. Uranyl complexes include [UO(2)F(4)](2-), [UO(2)Cl(4)](2-), [UO(2)(OH)(4)](2-), [UO(2)(CO(3))(3)](4-), and [UO(2)(H(2)O)(5)](2+). For the ligand NMR, moderate (e.g., (19)F NMR chemical shifts in UF(6-n)Cl(n)) to excellent agreement [e.g., (19)F chemical shift tensor in UF(6) or (1)H NMR in UF(6-n)(OCH(3))(n)] has been found between theory and experiment. The methods have been used to calculate the experimentally unknown (235)U NMR chemical shifts. A large chemical shift range of at least 21,000 ppm has been predicted for the (235)U nucleus. ZORA spin-orbit appears to be the most accurate method for predicting actinide metal chemical shifts. Trends in the (235)U NMR chemical shifts of UF(6-n)L(n) molecules are analyzed and explained in terms of the calculated electronic structure. It is argued that the energy separation and interaction between occupied and virtual orbitals with f-character are the determining factors.

  20. Skyrmion crystal and topological Hall effect in B20-type transition-metal compounds

    Science.gov (United States)

    Onose, Yoshinori

    2011-03-01

    Topological objects in solids such as domain walls and vortices have been attracting much attention for long. Among them the spin texture called skyrmion is an unusual topological object, in which the spins point in all the directions wrapping a sphere. The skyrmion hosts finite spin chirality, and therefore is anticipated to induce novel electromagnetic phenomena such as topological Hall effect. In B20-type transition metal compounds MnSi and Fe 1-x Co x Si, the crystallization of skyrmions was observed by the neutron diffraction studies. , . Recently, we have observed the real-space images of skyrmion crystal in thin films of related compounds (Fe 0.5 Co 0.5 Si and FeGe) using Lorentz transmission electron spectroscopy., Nature material, inpress.} We have observed the hexagonal arrangement of skyrmions including the topological defects (chiral domains and dislocations) under the magnetic field normal to the films, and found that the two dimensional skyrmion crystal phase is fairly stabilized by the thin film form of the samples. We have also studied the topological Hall effect caused by the spin chirality of the skyrmion crystal in a related material MnGe. In terms of the Hall measurement, they have shown the real space nature of the fictitious magnetic field caused by the magnetic configuration of the skyrmion crystal, in contrast with the momentum-space fictitious field in another spin chirality system, Nd 2 Mo 2 O7 . This work was done in collaboration with X. Z. Yu, N. Kanazawa, J. H. Park, J. H. Han, K. Kimoto, W. Z. Zhang, S. Ishiwata, Y. Matsui, N. Nagaosa, and Y. Tokura. S. Mühlbauer et al. Science 323, 915 (2009).}

  1. Effects of heavy metals and nitroaromatic compounds on horseradish glutathione S-transferase and peroxidase.

    Science.gov (United States)

    Nepovím, Ales; Podlipná, Radka; Soudek, Petr; Schröder, Peter; Vanek, Tomás

    2004-11-01

    Glutathione S-transferase (GST) and peroxidase (POX) activities have a direct relation to the effect of stress on plant metabolism. Changes in the activities of the enzymes were therefore studied. Horseradish hairy roots were treated by selected bivalent ions of heavy metals (HMs) and nitroaromatic compounds (NACs). We have shown differences in GST activity when assayed with substrates 1-chloro-2,4-dinitrobenzene (CDNB) and 1,2-dichloro-4-nitrobenzene (DCNB). The conjugation of DCNB catalysed by GST was inhibited in all roots treated with HMs as compared to non-treated roots, whereas NACs caused induction of the activity in dependence on the exposition time and concentration of compounds. The conjugation of CDNB by GST was not affected to the same extent. The increase of GST activity was determined in cultures treated by nickel (0.1 mM) and diaminonitrotoluenes (DANTs, 0.1 mM) for 6 h, whereas the roots treated by 2,4,6-trinitrotoluene (TNT), 4-amino-2,6-dinitrotoluene (ADNT) and dinitrotoluene (DNT, 1.0 mM) needed 27 h treatment to induce the activity. The POX activity of cultures treated by HMs was inhibited to 17-35% in comparison to non-treated cultures. The POX activity of roots treated by TNT (0.1 and 1.0 mM) for 6 and 27 h and by ADNT (0.1 and 1.0 mM) for 6 h was inhibited. A partial increase of POX activity was measured in roots treated by all NACs for 27 h. The content of oxidized glutathione (GSSG) and reduced glutathione (GSH) in the roots differed significantly. It was followed as a symptom of the stress reaction of the plant metabolism to the effect of NACs and HMs.

  2. Carcinogenic risk of copper gluconate evaluated by a rat medium-term liver carcinogenicity bioassay protocol

    Energy Technology Data Exchange (ETDEWEB)

    Abe, Masayoshi; Usuda, Koji; Hayashi, Seigo; Ogawa, Izumi; Furukawa, Satoshi [Nissan Chemical Industries Limited, Toxicology and Environmental Science Department, Biological Research Laboratories, Saitama (Japan); Igarashi, Maki [Tokyo University of Agriculture, Laboratory of Protection of Body Function, Department of Food and Nutritional Science, Graduate School of Agriculture, Tokyo (Japan); Nakae, Dai [Tokyo University of Agriculture, Laboratory of Protection of Body Function, Department of Food and Nutritional Science, Graduate School of Agriculture, Tokyo (Japan); Tokyo Metropolitan Institute of Public Health, Tokyo (Japan)

    2008-08-15

    Carcinogenic risk and molecular mechanisms underlying the liver tumor-promoting activity of copper gluconate, an additive of functional foods, were investigated using a rat medium-term liver carcinogenicity bioassay protocol (Ito test) and a 2-week short-term administration experiment. In the medium-term liver bioassay, Fischer 344 male rats were given a single i.p. injection of N-nitrosodiethylamine at a dose of 200 mg/kg b.w. as a carcinogenic initiator. Starting 2 weeks thereafter, rats received 0, 10, 300 or 6,000 ppm of copper gluconate in diet for 6 weeks. All rats underwent 2/3 partial hepatectomy at the end of week 3, and all surviving rats were killed at the end of week 8. In the short-term experiment, rats were given 0, 10, 300 or 6,000 ppm of copper gluconate for 2 weeks. Numbers of glutathione S-transferase placental form (GST-P) positive lesions, single GST-P-positive hepatocytes and 8-oxoguanine-positive hepatocytes, and levels of cell proliferation and apoptosis in the liver were significantly increased by 6,000 ppm of copper gluconate in the medium-term liver bioassay. Furthermore, hepatic mRNA expression of genes relating to the metal metabolism, inflammation and apoptosis were elevated by 6,000 ppm of copper gluconate both in the medium-term liver bioassay and the short-term experiments. These results indicate that copper gluconate possesses carcinogenic risk toward the liver at the high dose level, and that oxidative stress and inflammatory and pro-apoptotic signaling statuses may participate in its underlying mechanisms. (orig.)

  3. Solid-phase extraction with metal-organic frameworks for the analysis of chiral compounds.

    Science.gov (United States)

    Tang, Bo; Zhang, Jun-Hui; Zi, Min; Chen, Xue-Xian; Yuan, Li-Ming

    2016-12-01

    Metal-organic frameworks (MOFs) are excellent porous materials with nanoscale cavities and high surface areas, which make them promising as novel adsorbents in solid-phase extraction (SPE). In this article we report a new application of the chiral MOF [Zn2 (D-Cam)2 (4,4'-bpy)]n in SPE used for the measurement of the enantiomeric excess (ee) of (±)-1,1'-bi-2-naphthol. Several important experimental parameters that may influence the extraction efficiency were investigated and optimized. Under the optimum conditions, a good linearity (R(2)  > 0.999) was found between the ee value and the reciprocal of the peak areas. When compared with the actual ee measured using chiral HPLC, the SPE-based assay also showed good accuracy and precision. The results showed that SPE based on chiral MOFs as adsorbents is a simple and effective method for the determination of the ee values of chiral compounds. © 2016 Wiley Periodicals, Inc.

  4. Spiral magnetic order and pressure-induced superconductivity in transition metal compounds

    Science.gov (United States)

    Wang, Yishu; Feng, Yejun; Cheng, J.-G.; Wu, W.; Luo, J. L.; Rosenbaum, T. F.

    2016-10-01

    Magnetic and superconducting ground states can compete, cooperate and coexist. MnP provides a compelling and potentially generalizable example of a material where superconductivity and magnetism may be intertwined. Using a synchrotron-based non-resonant X-ray magnetic diffraction technique, we reveal a spiral spin order in MnP and trace its pressure evolution towards superconducting order via measurements in a diamond anvil cell. Judging from the magnetostriction, ordered moments vanish at the quantum phase transition as pressure increases the electron kinetic energy. Spins remain local in the disordered phase, and the promotion of superconductivity is likely to emerge from an enhanced coupling to residual spiral spin fluctuations and their concomitant suppression of phonon-mediated superconductivity. As the pitch of the spiral order varies across the 3d transition metal compounds in the MnP family, the magnetic ground state switches between antiferromagnet and ferromagnet, providing an additional tuning parameter in probing spin-fluctuation-induced superconductivity.

  5. Spiral magnetic order and pressure-induced superconductivity in transition metal compounds

    Science.gov (United States)

    Wang, Yishu; Feng, Yejun; Cheng, J.-G.; Wu, W.; Luo, J. L.; Rosenbaum, T. F.

    2016-01-01

    Magnetic and superconducting ground states can compete, cooperate and coexist. MnP provides a compelling and potentially generalizable example of a material where superconductivity and magnetism may be intertwined. Using a synchrotron-based non-resonant X-ray magnetic diffraction technique, we reveal a spiral spin order in MnP and trace its pressure evolution towards superconducting order via measurements in a diamond anvil cell. Judging from the magnetostriction, ordered moments vanish at the quantum phase transition as pressure increases the electron kinetic energy. Spins remain local in the disordered phase, and the promotion of superconductivity is likely to emerge from an enhanced coupling to residual spiral spin fluctuations and their concomitant suppression of phonon-mediated superconductivity. As the pitch of the spiral order varies across the 3d transition metal compounds in the MnP family, the magnetic ground state switches between antiferromagnet and ferromagnet, providing an additional tuning parameter in probing spin-fluctuation-induced superconductivity. PMID:27708255

  6. An IARC Manual series aimed at assisting cancer epidemiology and prevention. "Environmental carcinogens: selected methods of analysis".

    Science.gov (United States)

    O'Neill, I K; Fishbein, L

    1986-01-01

    Since 1975, the IARC has been preparing a series of volumes entitled "Environmental Carcinogens: Selected Methods of Analysis" (IARC Manual series) of which the purposes are to assist analysts, epidemiologists and regulatory authorities in planning or performing exposure measurements that are truly comparable between different studies. The Manual series provides expert information within each volume on multi-media sampling, methods of analyses and some background of epidemiology, metabolism, use/occurrence for a group of known or suspect carcinogens. So far, eleven volumes have been published or are in preparation on the following subjects: N-nitrosamines, vinyl chloride, PAH, aromatic amines, mycotoxins, N-nitroso compounds, volatile halogenated hydrocarbons, metals, passive smoking, benzene and alkylated benzenes, dioxins, PCDFs and PCBs. The presentation will discuss needs and priorities for use of analytical chemistry in estimating exposures of apparently greatest relevance to cancer causation, i.e. the approach to developing this series. Indications from epidemiology, evaluations of carcinogenic risk to humans, and recent developments in total exposure assessment are that new methods and matrices need more emphasis, e.g. as with biochemical dosimetry, exhaled breath, and in indoor air.

  7. Compound surface-plasmon-polariton waves guided by a thin metal layer sandwiched between a homogeneous isotropic dielectric material and a structurally chiral material

    CERN Document Server

    Chiadini, Francesco; Scaglione, Antonio; Lakhtakia, Akhlesh

    2015-01-01

    Multiple compound surface plasmon-polariton (SPP) waves can be guided by a structure consisting of a sufficiently thick layer of metal sandwiched between a homogeneous isotropic dielectric (HID) material and a dielectric structurally chiral material (SCM). The compound SPP waves are strongly bound to both metal/dielectric interfaces when the thickness of the metal layer is comparable to the skin depth but just to one of the two interfaces when the thickness is much larger. The compound SPP waves differ in phase speed, attenuation rate, and field profile, even though all are excitable at the same frequency. Some compound SPP waves are not greatly affected by the choice of the direction of propagation in the transverse plane but others are, depending on metal thickness. For fixed metal thickness, the number of compound SPP waves depends on the relative permittivity of the HID material, which can be useful for sensing applications.

  8. El té verde en la quimioprevención in vivo del daño genotóxico inducido por metales cancerígenos (cromo [VI] Green tea and its role on chemoprevention in vivo of genotoxic damage induced by carcinogenic metals (Chromium [VI

    Directory of Open Access Journals (Sweden)

    M. C. García-Rodríguez

    2012-08-01

    las 72 horas, del 20 y 35% a las 48 horas y del 18 y 31% a las 24 horas con los tratamientos intragástricos y ad libitum respectivamente, en comparación con el grupo tratado solo con el trióxido de cromo. Por lo que, el té verde redujo el daño genotóxico inducido por el trióxido de cromo, y la mayor protección se presentó a las 72 horas. Conclusiones: Nuestros hallazgos muestran un efecto protector del té verde contra el daño al material genético inducido por compuestos metálicos como los del Cr [VI], sugiriendo que sus componentes antioxidantes son los que tienen un efecto quimiopreventivo sobre el EOx generado por el Cr [VI] durante su reducción a Cr [III]. El hecho de que la mayor disminución de la frecuencia de MN se observe a las 72 horas y con el tratamiento ad libitum, sugiere que el efecto protector depende de la biodisponibilidad, farmacodinámica y farmacocinética del principio activo del té verde, por lo que la administración del té verde durante tiempos más prolongados antes de la exposición con compuestos de Cr [VI] podría tener un efecto preventivo más consistente.Background: Consumption of green tea, by its antioxidant properties, has been associated with beneficial health effects, because antioxidant may play a role in the risk and pathogenesis of several chronic diseases, especially cardiovascular disease and cancer. On the other hand, it has been reported that metal compounds such as chromium [VI] are carcinogenic and can induce genotoxic damage through the Oxidative Stress. Therefore, it is possible that green tea has a protective effect against the genotoxic damage induced by this compounds. Objective: To evaluate the effect of oral administration of green tea over the genotoxic damage induced by Cr [VI] by quantification of micronucleus (MN in polychromatic erythrocytes (EPC. Materials and methods: We use mice of CD-1 strain that were randomly divided into the following groups: (i control, (ii treatment with green tea, (iii

  9. Diarylplatinum(II Compounds as Versatile Metallating Agents in the Synthesis of Cyclometallated Platinum Compounds with N-Donor Ligands

    Directory of Open Access Journals (Sweden)

    Margarita Crespo

    2014-03-01

    Full Text Available This review deals with the reactions of diarylplatinum(II complexes with N-donor ligands to produce a variety of cycloplatinated compounds including endo-five-, endo-seven-, endo-six- or exo-five-membered platinacycles. The observed reactions result from a series of oxidative addition/reductive elimination processes taking place at platinum(II/platinum(IV species and involving C–X (X = H, Cl, Br bond activation, arene elimination, and, in some cases, Caryl–Caryl bond formation.

  10. Biological Role of Cobalt(II), Copper(II) and Nickel(II) Metal Ions on the Antibacterial Properties of Some Nicotinoyl-Hydrazine Derived Compounds

    OpenAIRE

    Chohan, Zahid H.; Sherazi, Syed K. A.

    1997-01-01

    Several cobalt(II), copper(II) and nickel(II) complexes of nicotinoylhydrazine-derived compounds were prepared and characterised by physical, spectral and analytical data. These compounds and their complexes have proven to be antibacterial. The screening data show the metal complexes to be more potential/bactericidal than the uncomplexed compounds against one or more bacterial species.

  11. New pathway for the formation of metallic cubic phase Ge-Sb-Te compounds induced by an electric current

    OpenAIRE

    Yong-Jin Park; Ju-Young Cho; Min-Woo Jeong; Sekwon Na; Young-Chang Joo

    2016-01-01

    The novel discovery of a current-induced transition from insulator to metal in the crystalline phase of Ge2Sb2Te5 and GeSb4Te7 have been studied by means of a model using line-patterned samples. The resistivity of cubic phase Ge-Sb-Te compound was reduced by an electrical current (~1 MA/cm2), and the final resistivity was determined based on the stress current density, regardless of the initial resistivity and temperature, which indicates that the conductivity of Ge-Sb-Te compound can be modu...

  12. Design, selection, and characterization of thioflavin-based intercalation compounds with metal chelating properties for application in Alzheimer's disease.

    Science.gov (United States)

    Rodríguez-Rodríguez, Cristina; Sánchez de Groot, Natalia; Rimola, Albert; Alvarez-Larena, Angel; Lloveras, Vega; Vidal-Gancedo, José; Ventura, Salvador; Vendrell, Josep; Sodupe, Mariona; González-Duarte, Pilar

    2009-02-01

    Metal chelation is considered a rational therapeutic approach for interdicting Alzheimer's amyloid pathogenesis. At present, enhancing the targeting and efficacy of metal-ion chelating agents through ligand design is a main strategy in the development of the next generation of metal chelators. Inspired by the traditional dye Thioflavin-T, we have designed new multifunctional molecules that contain both amyloid binding and metal chelating properties. In silico techniques have enabled us to identify commercial compounds that enclose the designed molecular framework (M1), include potential antioxidant properties, facilitate the formation of iodine-labeled derivatives, and can be permeable through the blood-brain barrier. Iodination reactions of the selected compounds, 2-(2-hydroxyphenyl)benzoxazole (HBX), 2-(2-hydroxyphenyl)benzothiazole (HBT), and 2-(2-aminophenyl)-1H-benzimidazole (BM), have led to the corresponding iodinated derivatives HBXI, HBTI, and BMI, which have been characterized by X-ray diffraction. The chelating properties of the latter compounds toward Cu(II) and Zn(II) have been examined in the solid phase and in solution. The acidity constants of HBXI, HBTI, and BMI and the formation constants of the corresponding ML and ML2 complexes [M = Cu(II), Zn(II)] have been determined by UV-vis pH titrations. The calculated values for the overall formation constants for the ML2 complexes indicate the suitability of the HBXI, HBTI, and BMI ligands for sequestering Cu(II) and Zn(II) metal ions present in freshly prepared solutions of beta-amyloid (Abeta) peptide. This was confirmed by Abeta aggregation studies showing that these compounds are able to arrest the metal-promoted increase in amyloid fibril buildup. The fluorescence features of HBX, HBT, BM, and the corresponding iodinated derivatives, together with fluorescence microscopy studies on two types of pregrown fibrils, have shown that HBX and HBT compounds could behave as potential markers for the presence

  13. Heteroepitaxial growth of 3-5 semiconductor compounds by metal-organic chemical vapor deposition for device applications

    Science.gov (United States)

    Collis, Ward J.; Abul-Fadl, Ali

    1988-01-01

    The purpose of this research is to design, install and operate a metal-organic chemical vapor deposition system which is to be used for the epitaxial growth of 3-5 semiconductor binary compounds, and ternary and quaternary alloys. The long-term goal is to utilize this vapor phase deposition in conjunction with existing current controlled liquid phase epitaxy facilities to perform hybrid growth sequences for fabricating integrated optoelectronic devices.

  14. Investigation of the uptake of drugs, carcinogens and mutagens by individual mammalian cells using a scanning proton microprobe

    Science.gov (United States)

    Cholewa, M.; Turnbull, I. F.; Legge, G. J. F.; Weigold, H.; Marcuccio, S. M.; Holan, G.; Tomlinson, E.; Wright, P. J.; Dillon, C. T.; Lay, P. A.; Bonin, A. M.

    1995-09-01

    The use of micro-PIXE [1] in measuring the quantitative uptake of drugs containing metal atoms by individual Vero cells (African green monkey kidney cell line) and V79 Chinese hamster lung cells is demonstrated. One class of drugs, heteropolytungstates, which are being assessed for activity against the HIV virus, were studied using Vero cells. The cellular uptake of a series of chromium compounds, including carcinogens and mutagens, in which the metal oxidation state was either (III), (V) or (VI), was measured using V79 cells. It was found that, unlike any other techniques, scanning proton microprobe (SPM) offers both the sensitivity and spatial resolution to carry out unicellular analysis. The use of cultured cell lines in these analyses was shown to have distinct advantages over cells such as peripheral blood lymphocytes (PBLs).

  15. Capsaicin in hot chili pepper: carcinogen, co-carcinogen or anticarcinogen?

    Science.gov (United States)

    Surh, Y J; Lee, S S

    1996-03-01

    Capsaicin (trans-8-methyl-N-vanillyl-6-nonenamide) is a major pungent ingredient of the Capsicum fruits such as hot green and red peppers. Besides its use as a food additive in various spicy cuisines, capsaicin is currently utilized for therapeutic purposes to treat various peripheral painful conditions such as rheumatoid arthritis and diabetic neuropathy. Considering consumption of capsaicin as a food additive and its current medicinal application in humans, correct evaluation and precise assessment of any harmful effects of this compound are essential from the public health standpoint. Numerous investigations have been conducted to determine the potential mutagenic and carcinogenic activity of capsaicin and chili pepper, but results are discordant. This review briefly examines findings in the literature of studies testing mutagenicity and tumorigenicity of capsaicin and presents a possible mechanistic basis for the dual effects exerted by the compound.

  16. Investigation of spin-gapless semiconductivity and half-metallicity in Ti{sub 2}MnAl-based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lukashev, P., E-mail: pavel.lukashev@uni.edu; Staten, B.; Hurley, N. [Department of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614 (United States); Kharel, P., E-mail: parashu.kharel@sdstate.edu [Department of Physics, South Dakota State University, Brookings, South Dakota 57007 (United States); Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588 (United States); Gilbert, S.; Fuglsby, R.; Huh, Y. [Department of Physics, South Dakota State University, Brookings, South Dakota 57007 (United States); Valloppilly, S. [Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588 (United States); Zhang, W.; Skomski, R.; Sellmyer, D. J. [Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588 (United States); Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588 (United States); Yang, K. [Department of Physics, South Dakota State University, Brookings, South Dakota 57007 (United States); College of Mechanical and Electrical Engineering, Hohai University, Changzhou, Jiangsu 213022 (China)

    2016-04-04

    The increasing interest in spin-based electronics has led to a vigorous search for new materials that can provide a high degree of spin polarization in electron transport. An ideal candidate would act as an insulator for one spin channel and a conductor or semiconductor for the opposite spin channel, corresponding to the respective cases of half-metallicity and spin-gapless semiconductivity. Our first-principle electronic-structure calculations indicate that the metallic Heusler compound Ti{sub 2}MnAl becomes half-metallic and spin-gapless semiconducting if half of the Al atoms are replaced by Sn and In, respectively. These electronic structures are associated with structural transitions from the regular cubic Heusler structure to the inverted cubic Heusler structure.

  17. An expert system for process planning of sheet metal parts produced on compound die for use in stamping industries

    Indian Academy of Sciences (India)

    SACHIN SALUNKHE; DEEPAK PANGHAL; SHAILENDRA KUMAR; H M A HUSSEIN

    2016-08-01

    Process planning of sheet metal part is an important activity in the design of compound die. Traditional methods of carrying out this task are manual, tedious, time-consuming, error-prone and experiencebased. This paper describes the research work involved in the development of an expert system for process planning of sheet metal parts produced on compound die. The proposed system is organized in six modules. For development of system modules, domain knowledge acquired from various sources of knowledge acquisition is refined and then framed in form of ‘IF-Then’ variety of production rules. System modules are coded in AutoLISP language and user interface is created using visual basic (VB). The system is capable to automate various activities of process planning including blank modeling, blank nesting, determining punch force required, election of clearance between punch and die, identifying sheet metal operations, and determining proper sequence of operations for manufacturing the part. The proposed system can be implemented on a PC having VB and AutoCAD software, therefore its low cost of implementation makes it affordable even for small scale sheet metal industries.

  18. Exchange bias in a mixed metal oxide based magnetocaloric compound YFe0.5Cr0.5O3

    Science.gov (United States)

    Sharma, Mohit K.; Singh, Karan; Mukherjee, K.

    2016-09-01

    We report a detailed investigation of magnetization, magnetocaloric effect and exchange bias studies on a mixed metal oxide YFe0.5Cr0.5O3 belonging to perovskite family. Our results reveal that the compound is in canted magnetic state (CMS) where ferromagnetic correlations are present in an antiferromagnetic state. Magnetic entropy change of this compound follows a power law (∆SM∼Hm) dependence of magnetic field. In this compound, inverse magnetocaloric effect (IMCE) is observed below 260 K while conventional magnetocaloric effect (CMCE) above it. The exponent 'm' is found to be independent of temperature and field only in the IMCE region. Investigation of temperature and magnetic field dependence studies of exchange bias, reveal a competition between effective Zeeman energy of the ferromagnetic regions and anisotropic exchange energy at the interface between ferromagnetic and antiferromagnetic regions. Variation of exchange bias due to temperature and field cycling is also investigated.

  19. An international literature survey of "IARC Group I carcinogens" reported in mainstream cigarette smoke.

    Science.gov (United States)

    Smith, C J; Livingston, S D; Doolittle, D J

    1997-01-01

    The International Agency for Research on Cancer (IARC) currently lists 44 individual chemical agents, 12 groups or mixtures of chemicals and 13 exposure circumstances as "Group 1 human carcinogens". A comprehensive search of the published literature revealed that nine of the 44 chemical agents classified as "Group I carcinogens" by IARC have been reported to occur in mainstream cigarette smoke. The other 35 have never been reported to occur in cigarette smoke. The nine agents reported are benzene, cadmium, arsenic, nickel, chromium, 2-naphthyl-amine, vinyl chloride, 4-aminobiphenyl and beryllium. The reported yields of each of these nine agents in mainstream smoke varies widely. The range of yields reported for a given compound is influenced by the type of cigarette tested and when the analysis was conducted. In micrograms/cigarette, the ranges that have been reported for each of the nine compounds are: benzene (0.05-104), cadmium (0-6.67), arsenic (0-1.4), nickel (0-0.51), chromium (0.0002-0.5), 2-naphthylamine (0.0002-0.022), vinyl chloride (0.0013-0.0158), 4-aminobiphenyl (0.00019-0.005) and beryllium (0-0.0005). Although some of the variation in reported yields may be due to differences in analytical methodology, several correlations between the yield of a particular chemical in mainstream smoke and certain cigarette characteristics were observed. For example, charcoal filtration was associated with reduced vinyl chloride, and the concentration of sodium nitrate in the tobacco was positively correlated with the mainstream yield of both 2-naphthylamine and 4-aminobiphenyl. Benzene yield in mainstream cigarette smoke was correlated with the amount of tobacco burned and with the 'tar' level. Agronomic factors such as production practices and soil characteristics, and environmental conditions such as rainfall, reportedly influence the accumulation of metals, for example, cadmium, beryllium, chromium, nickel and arsenic, in the leaf. The use of fertilizers low in

  20. Workplace carcinogen and pesticide exposures in Costa Rica.

    Science.gov (United States)

    Partanen, Timo; Chaves, Jorge; Wesseling, Catharina; Chaverri, Fabio; Monge, Patricia; Ruepert, Clemens; Aragón, Aurora; Kogevinas, Manolis; Hogstedt, Christer; Kauppinen, Timo

    2003-01-01

    The CAREX data system converts national workforce volumes and proportions of workers exposed to workplace carcinogens into numbers of exposed in 55 industrial categories. CAREX was adapted for Costa Rica for 27 carcinogens and seven groups of pesticides. Widespread workplace carcinogens in the 1.3 million workforce of Costa Rica are solar radiation (333,000 workers), diesel engine exhaust (278,000), environmental tobacco smoke (71,000), hexavalent chromium compounds (55,000), benzene (52,000), wood dust (32,000), silica dust (27,000), lead and inorganic lead compounds (19,000), and polycyclic aromatic compounds (17,000). The most ubiquitous pesticides were paraquat and diquat (175,000), mancozeb, maneb, and zineb (49,000), chlorothalonil (38,000), benomyl (19,000), and chlorophenoxy herbicides (11,000). Among women, formaldehyde, radon, and methylene chloride overrode pesticides, chromium, wood dust, and silica dust in numbers of exposed. High-risk sectors included agriculture, construction, personal and household services, land and water transport and allied services, pottery and similar industries, woodworks, mining, forestry and logging, fishing, manufacturing of electrical machinery, and bar and restaurant personnel.

  1. Identifying carcinogenic activity of methylated and non-methylated polycyclic aromatic hydrocarbons (PAHs) through electronic and topological indices

    CERN Document Server

    Braga, R S; Barone, P M V B

    2000-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are a class of planar molecules, abundant in urban environment, which can induce chemical carcinogenesis. Their carcinogenic power varies in a large range, from very strong carcinogens to inactive ones. In a previous study, we proposed a methodology to identify the PAHs carcinogenic activity exploring electronic and topological indices. In the present work, we show that it is possible to simplify that methodology and expand its applicability to include methylated PAHs compounds. Using very simple rules, we can predict their carcinogenic activity with high accuracy (approx 89%).

  2. Non—Genotoxic Carcinogens.Approaches to Their Rish Assessment

    Institute of Scientific and Technical Information of China (English)

    J.A.CASTRO; M.I.DiazGomez; 等

    1993-01-01

    Epidemiological studies support the idea that most human cancers are related to chemicals present in the human environment.In turn,chemicals are believed to cause cancer via either genotoxic or non-genotoxic mechanisms.There were described in literature several simple rapid and inexpensive short term ests to reasonably predict the genotoxic nature of chemicals but in contrast,there is no reliable test or battery of tests available to predict the carcinogenicity of non-genotoxic compounds and this poses a major problem to their rish assessment.In addition,there are conflictive opinions about rish assessment needs for both classes of carcinogens.Some workers elieve that for non-genotoxic carcinogens,thresholds for exposure can be drawn while others do not.In this review,the reasons behind both of these opinions and the present hypotheses about the mechanism of action of non-genotoxic carcinogens are described and analyzed in relation to future needs.

  3. Applying tobacco carcinogen and toxicant biomarkers in product regulation and cancer prevention.

    Science.gov (United States)

    Hecht, Stephen S; Yuan, Jian-Min; Hatsukami, Dorothy

    2010-06-21

    Tobacco carcinogen and toxicant biomarkers are metabolites or protein or DNA adducts of specific compounds in tobacco products. Highly reliable analytical methods, based mainly on mass spectrometry, have been developed and applied in large studies of many of these biomarkers. A panel of tobacco carcinogen and toxicant biomarkers is suggested here, and typical values for smokers and nonsmokers are summarized. This panel of biomarkers has potential applications in the new and challenging area of tobacco product regulation and in the development of rational approaches to cancer prevention by establishing carcinogen and toxicant uptake and excretion in people exposed to tobacco products.

  4. Potential carcinogenicity of homoisoflavanoids and flavonoids from Resina sanguinis draconis (Dracaena cinnabari Balf.).

    Science.gov (United States)

    Vachálková, A; Novotný, L; Nejedlíková, M; Suchý, V

    1995-01-01

    Polarographic behavior of three homoisoflavanoids and four flavanoids isolated from the dragon's blood (Resina sanguinis draconis. Dracaena cinnabari Balf.), collected at Sokotra, was investigated in aprotic solution and an index of potential carcinogenicity tg alpha was determined. Generally, homoisoflavanoids and flavanoids were reduced in two two-electron steps, the first being reversible and the second one irreversible. The parameter tg alpha values indicated that the majority of these compounds possesses no or only marginal potential carcinogenic activity. However, it was demonstrated that some structural modifications in basic flavonoid structure lead to changed electrochemical properties and a substantial increase of derivative potential carcinogenicity.

  5. First-principles study of new quaternary Heusler compounds without 3d transition metal elements: ZrRhHfZ (Z = Al, Ga, In)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Guo, Ruikang [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Wang, Jianli [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Wang, Liying [Department of Physics, Tianjin University, Tianjin 300350 (China); Yu, Zheyin [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2017-06-01

    Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, and the magnetic and half-metallic properties of the newly designed quaternary Heusler compounds ZrRhHfZ (Z = Al, Ga, In) without 3d transition metal elements. The calculated results show that ZrRhHfZ (Z = Al, Ga, In) compounds are half-metallic, with 100% spin polarization around the Fermi level. The structural stability of these compounds has been tested from the aspects of their cohesion energy and formation. The spin-flip/half-metallic gaps of ZrRhHfZ (Z = Al, Ga, In) compounds are quite large, with values of 0.2548 eV, 0.3483 eV, and 0.2866 eV, respectively. These compounds show Slater-Pauling behavior, and the total spin magnetic moment per unit cell (M{sub t}) scales with the total number of valence electrons (Z{sub t}) following the rule: M{sub t} = Z{sub t} - 18. The magnetization of ZrRhHfZ (Z = Al, Ga, In) compounds mainly comes from the 4d electrons of the Zr atoms and the 5d electrons of the Hf atoms. Furthermore, the effects of uniform strain and tetragonal deformation on the half metallicity has been investigated in detail, which is important for practical application. Finally, we reveal that the half-metallicity can be maintained when the Coulomb interactions are considered. - Highlights: • New quaternary compounds without 3d transition metal elements have been designed. • The electronic structures and magnetism of the ZrRhHfZ compounds have been studied. • The effect of strain on the half-metallic behavior has been tested. • The effect of the Coulomb interactions on the half-metallicity has been investigated.

  6. Inhalation cancer risk assessment of cobalt metal.

    Science.gov (United States)

    Suh, Mina; Thompson, Chad M; Brorby, Gregory P; Mittal, Liz; Proctor, Deborah M

    2016-08-01

    Cobalt compounds (metal, salts, hard metals, oxides, and alloys) are used widely in various industrial, medical and military applications. Chronic inhalation exposure to cobalt metal and cobalt sulfate has caused lung cancer in rats and mice, as well as systemic tumors in rats. Cobalt compounds are listed as probable or possible human carcinogens by some agencies, and there is a need for quantitative cancer toxicity criteria. The U.S. Environmental Protection Agency has derived a provisional inhalation unit risk (IUR) of 0.009 per μg/m(3) based on a chronic inhalation study of soluble cobalt sulfate heptahydrate; however, a recent 2-year cancer bioassay affords the opportunity to derive IURs specifically for cobalt metal. The mechanistic data support that the carcinogenic mode of action (MOA) is likely to involve oxidative stress, and thus, non-linear/threshold mechanisms. However, the lack of a detailed MOA and use of high, toxic exposure concentrations in the bioassay (≥1.25 mg/m(3)) preclude derivation of a reference concentration (RfC) protective of cancer. Several analyses resulted in an IUR of 0.003 per μg/m(3) for cobalt metal, which is ∼3-fold less potent than the provisional IUR. Future research should focus on establishing the exposure-response for key precursor events to improve cobalt metal risk assessment.

  7. Toxic compounds in honey.

    Science.gov (United States)

    Islam, Md Nazmul; Khalil, Md Ibrahim; Islam, Md Asiful; Gan, Siew Hua

    2014-07-01

    There is a wealth of information about the nutritional and medicinal properties of honey. However, honey may contain compounds that may lead to toxicity. A compound not naturally present in honey, named 5-hydroxymethylfurfural (HMF), may be formed during the heating or preservation processes of honey. HMF has gained much interest, as it is commonly detected in honey samples, especially samples that have been stored for a long time. HMF is a compound that may be mutagenic, carcinogenic and cytotoxic. It has also been reported that honey can be contaminated with heavy metals such as lead, arsenic, mercury and cadmium. Honey produced from the nectar of Rhododendron ponticum contains alkaloids that can be poisonous to humans, while honey collected from Andromeda flowers contains grayanotoxins, which can cause paralysis of limbs in humans and eventually leads to death. In addition, Melicope ternata and Coriaria arborea from New Zealand produce toxic honey that can be fatal. There are reports that honey is not safe to be consumed when it is collected from Datura plants (from Mexico and Hungary), belladonna flowers and Hyoscamus niger plants (from Hungary), Serjania lethalis (from Brazil), Gelsemium sempervirens (from the American Southwest), Kalmia latifolia, Tripetalia paniculata and Ledum palustre. Although the symptoms of poisoning due to honey consumption may differ depending on the source of toxins, most common symptoms generally include dizziness, nausea, vomiting, convulsions, headache, palpitations or even death. It has been suggested that honey should not be considered a completely safe food.

  8. Effects of metal compounds with distinct physicochemical properties on iron homeostasis and antibacterial activity in the lungs: chromium and vanadium.

    Science.gov (United States)

    Cohen, Mitchell D; Sisco, Maureen; Prophete, Colette; Yoshida, Kotaro; Chen, Lung-chi; Zelikoff, Judith T; Smee, Jason; Holder, Alvin A; Stonehuerner, Jacqueline; Crans, Debbie C; Ghio, Andrew J

    2010-02-01

    In situ reactions of metal ions or their compounds are important mechanisms by which particles alter lung immune responses. The authors hypothesized that major determinants of the immunomodulatory effect of any metal include its redox behavior/properties, oxidation state, and/or solubility, and that the toxicities arising from differences in physicochemical parameters are manifest, in part, via differential shifts in lung iron (Fe) homeostasis. To test the hypotheses, immunomodulatory potentials for both pentavalent vanadium (VV; as soluble metavanadate or insoluble vanadium pentoxide) and hexavalent chromium (CrVI; as soluble sodium chromate or insoluble calcium chromate) were quantified in rats after inhalation (5h/day for 5 days) of each at 100 microg metal/m3. Differences in effects on local bacterial resistance between the two VV, and between each CrVI, agents suggested that solubility might be a determinant of in situ immunotoxicity. For the soluble forms, VV had a greater impact on resistance than CrVI, indicating that redox behavior/properties was likely also a determinant. The soluble VV agent was the strongest immunomodulant. Regarding Fe homeostasis, both VV agents had dramatic effects on airway Fe levels. Both also impacted local immune/airway epithelial cell Fe levels in that there were significant increases in production of select cytokines/chemokines whose genes are subject to regulation by HIF-1 (whose intracellular longevity is related to cell Fe status). Our findings contribute to a better understanding of the role that metal compound properties play in respiratory disease pathogenesis and provide a rationale for differing pulmonary immunotoxicities of commonly encountered ambient metal pollutants.

  9. Effects of complexing compounds on sorption of metal ions to cement

    Energy Technology Data Exchange (ETDEWEB)

    Loevgren, Lars [Umeaa Univ. (Sweden). Inorganic chemistry

    2005-12-15

    This present report is a literature review addressing the effects of complexing ligands on the sorption of radionuclides to solid materials of importance for repositories of radioactive waste. Focus is put on laboratory studies of metal ion adsorption to cement in presence of chelating agents under strongly alkaline conditions. As background information, metal sorption to different mineral and cement phases in ligand free systems is described. Furthermore, surface complexation model (SCM) theories are introduced. According to surface complexation theories these interactions occur at specific binding sites at the particle/water interface. Adsorption of cationic metals is stronger at high pH, and the adsorption of anions occurs preferentially at low pH. The adsorption of ions to mineral surfaces is a result of both chemical bonding and electrostatic attraction between the ions and charged mineral surfaces. By combining uptake data with spectroscopic information the sorption can be explained on a molecular level by structurally sound surface complexation models. Most of the metal sorption studies reviewed are dealing with minerals exhibiting oxygen atoms at their surfaces, mainly oxides of Fe(II,III) and Al(III), and aluminosilicates. Investigations of radionuclides are focused on clay minerals, above all montmorillonite and illite. Which mechanism that is governing the metal ion adsorption to a given mineral is to a large extent depending on the metal adsorbed. For instance, sorption of Ni to montmorillonite can occur by formation of inner-sphere mononuclear surface complexes located at the edges of montmorillonite platelets and by formation of a Ni phyllosilicate phase parallel to montmorillonite layers. Also metal uptake to cement materials can occur by different mechanisms. Cationic metals can both be attached to cement (calcium silicate hydrate, CSH) and hardened cement paste (HCP) by formation of inner-sphere complexes at specific surface sites and by

  10. Effect of central metal ions of analogous metal-organic frameworks on adsorption of organoarsenic compounds from water: plausible mechanism of adsorption and water purification.

    Science.gov (United States)

    Jun, Jong Won; Tong, Minman; Jung, Beom K; Hasan, Zubair; Zhong, Chongli; Jhung, Sung Hwa

    2015-01-02

    The adsorptive removal of organoarsenic compounds such as p-arsanilic acid (ASA) and roxarsone (ROX) from water using metal-organic frameworks (MOFs) has been investigated for the first time. A MOF, iron benzenetricarboxylate (also called MIL-100-Fe) exhibits a much higher adsorption capacity for ASA and ROX than activated carbon, zeolite (HY), goethite, and other MOFs. The adsorption of ASA and ROX over MIL-100-Fe is also much more rapid than that over activated carbon. Moreover, the used MIL-100-Fe can be recycled by simply washing with acidic ethanol. Therefore, it is determined that a MOF such as MIL-100-Fe can be used to remove organoarsenic compounds from contaminated water because of its high adsorption capacity, rapid adsorption, and ready regeneration. Moreover, only one of three analogous MIL-100 species (MIL-100-Fe, rather than MIL-100-Al or MIL-100-Cr) can effectively remove the organoarsenic compounds. This selective and high adsorption over MIL-100-Fe, different from other analogous MIL-100 species, can be explained (through calculations) by the facile desorption of water from MIL-100-Fe as well as the large (absolute value) replacement energy (difference between the adsorption energies of the organoarsenic compounds and water) exhibited by MIL-100-Fe. A plausible adsorption/desorption mechanism is proposed based on the surface charge of the MOFs, FTIR results, calculations, and the reactivation results with respect to the solvents used in the experiments.

  11. Radionuclides, Trace Metals, and Organic Compounds in Shells of Native Freshwater Mussels Along the Hanford Reach of the Columbia River: 6000 Years Before Present to Current Times

    Energy Technology Data Exchange (ETDEWEB)

    B. L. Tiller; T. E. Marceau

    2006-01-25

    This report documents concentrations of radionuclides, trace metals, and semivolatile organic compounds measured in shell samples of the western pearl shell mussel collected along the Hanford Reach of the Columbia River.

  12. Toxicity assessment of heavy metals and organic compounds using CellSense biosensor with E.coli

    Institute of Scientific and Technical Information of China (English)

    Hong Wang; Xue Jiang Wang; Jian Fu Zhao; Ling Chen

    2008-01-01

    A new strategy using an amperometric biosensor with Escherichia coli(E.coli)that provides a rapid toxicity determination of chemical compounds is described.The CellSense biosensor system comprises a biological component immobilized in intimate contact with a transducer which converts the biochemical signal into a quantifiable electrical signal.Toxicity assessment of heavy metals using E.coli biosensors could be finished within 30 min and the 50% effective concentrations(EC50)values of four heavy metals were determined.The results shows that inhibitory effects of four heavy metals to E.coli can be ranked in a decreasing order of Hg2+>Cu2+>Zn2+>Ni2+,which accords to the results of conventional bacterial counting method.The toxicity test of organic compounds by using CellSense biosensor was also demonstrated.The CellSense biosensor with E.coli shows a good,reproducible behavior and can be used for reproducible measurements.

  13. Review of magnetic properties and magnetocaloric effect in the intermetallic compounds of rare earth with low boiling point metals

    Science.gov (United States)

    Ling-Wei, Li

    2016-03-01

    The magnetocaloric effect (MCE) in many rare earth (RE) based intermetallic compounds has been extensively investigated during the last two decades, not only due to their potential applications for magnetic refrigeration but also for better understanding of the fundamental problems of the materials. This paper reviews our recent progress on studying the magnetic properties and MCE in some binary or ternary intermetallic compounds of RE with low boiling point metal(s) (Zn, Mg, and Cd). Some of them exhibit promising MCE properties, which make them attractive for low temperature magnetic refrigeration. Characteristics of the magnetic transition, origin of large MCE, as well as the potential application of these compounds are thoroughly discussed. Additionally, a brief review of the magnetic and magnetocaloric properties in the quaternary rare earth nickel boroncarbides RENi2B2C superconductors is also presented. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374081 and 11004044), the Fundamental Research Funds for the Central Universities, China (Grant Nos. N150905001, L1509006, and N140901001), the Japan Society for the Promotion of Science Postdoctoral Fellowships for Foreign Researchers (Grant No. P10060), and the Alexander von Humboldt (AvH) Foundation (Research stipend to L. Li).

  14. Pressure-Induced Metallization in Iron-Based Ladder Compounds Ba1-xCsxFe2Se3

    Science.gov (United States)

    Hawai, Takafumi; Kawashima, Chizuru; Ohgushi, Kenya; Matsubayashi, Kazuyuki; Nambu, Yusuke; Uwatoko, Yoshiya; Sato, Taku J.; Takahashi, Hiroki

    2017-02-01

    Electrical resistivity measurements have been performed on the iron-based ladder compounds Ba1-xCsxFe2Se3 (x = 0, 0.25, 0.65, and 1) under high pressure. A cubic anvil press was used up to 8.0 GPa, whereas further higher pressure was applied using a diamond anvil cell up to 30.0 GPa. Metallic behavior of the electrical conductivity was confirmed in the x = 0.25 and 0.65 samples for pressures greater than 11.3 and 14.4 GPa, respectively, with the low-temperature log T upturn being consistent with weak localization of 2D electrons due to random potential. At pressures higher than 23.8 GPa, three-dimensional Fermi-liquid-like behavior was observed in the latter sample. No metallic conductivity was observed in the parent compounds BaFe2Se3 (x = 0) up to 30.0 GPa and CsFe2Se3 (x = 1) up to 17.0 GPa. The present results indicate that the origins of the insulating ground states in the parent and intermediate compounds are intrinsically different; the former is a Mott insulator, whereas the latter is an Anderson insulator owing to the random substitution of Cs for Ba.

  15. Thermochemistry and Dynamics of Reactive Species: Nitrogen-rich Compounds, Metals and SiC Clusters in Free and Solvated Environment

    Science.gov (United States)

    2005-10-31

    of Reactive Species : Nitrogen-rich F49620-02-1-0371 Compounds, Metals and SiC clusters in Free and Solvated Environments Sb. GRANT NUMBER 5c. PROGRAM...F49620-02-1-0371 Thermochemistry and Dynamics of Reactive Species : Nitrogen-rich Compounds, Metals, and SiC clusters in Free and Solvated Environments...research program remain the same as before: obtaining fundamental thermochemical and dynamical data on reactive species Status of Effort This report

  16. Thin films of metal-organic compounds and metal nanoparticle-embedded polymers for nonlinear optical applications

    Indian Academy of Sciences (India)

    S Philip Anthony; Shatabdi Porel; D Narayana Rao; T P Radhakrishnan

    2005-11-01

    Thin films based on two very different metal-organic systems are developed and some nonlinear optical applications are explored. A family of zinc complexes which form perfectly polar assemblies in their crystalline state are found to organize as uniaxially oriented crystallites in vapor deposited thin films on glass substrate. Optical second harmonic generation from these films is investigated. A simple protocol is developed for the in-situ fabrication of highly monodisperse silver nanoparticles in a polymer film matrix. The methodology can be used to produce free-standing films. Optical limiting capability of the nanoparticle-embedded polymer film is demonstrated.

  17. Fundamental Studies of the Reforming of Oxygenated Compounds over Supported Metal Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Dumesic, James A. [Univ. of Wisconsin, Madison, WI (United States)

    2016-01-04

    The main objective of our research has been to elucidate fundamental concepts associated with controlling the activity, selectivity, and stability of bifunctional, metal-based heterogeneous catalysts for tandem reactions, such as liquid-phase conversion of oxygenated hydrocarbons derived from biomass. We have shown that bimetallic catalysts that combine a highly-reducible metal (e.g., platinum) with an oxygen-containing metal promoter (e.g., molybdenum) are promising materials for conversion of oxygenated hydrocarbons because of their high activity for selective cleavage for carbon-oxygen bonds. We have developed methods to stabilize metal nanoparticles against leaching and sintering under liquid-phase reaction conditions by using atomic layer deposition (ALD) to apply oxide overcoat layers. We have used controlled surface reactions to produce bimetallic catalysts with controlled particle size and controlled composition, with an important application being the selective conversion of biomass-derived molecules. The synthesis of catalysts by traditional methods may produce a wide distribution of metal particle sizes and compositions; and thus, results from spectroscopic and reactions kinetics measurements have contributions from a distribution of active sites, making it difficult to assess how the size and composition of the metal particles affect the nature of the surface, the active sites, and the catalytic behavior. Thus, we have developed methods to synthesize bimetallic nanoparticles with controlled particle size and controlled composition to achieve an effective link between characterization and reactivity, and between theory and experiment. We have also used ALD to modify supported metal catalysts by addition of promoters with atomic-level precision, to produce new bifunctional sites for selective catalytic transformations. We have used a variety of techniques to characterize the metal nanoparticles in our catalysts, including scanning transmission electron

  18. DFT and post-DFT studies of metallic MXY3-type compounds for low temperature TE applications

    Science.gov (United States)

    Bilal, M.; Saifullah; Ahmad, Iftikhar; Jalali-Asadabadi, S.; Ahmad, Rashid; Shafiq, M.

    2016-10-01

    In this paper, thermoelectric properties of carbon and nitrogen based twenty metallic antiperovskites MXY3 (M=Al, Ga, Ir, Mg, Pd, Pt, Rh; X=C, N; Y=Mn, Ni, Sc, Ti, Cr, Fe) using ab-initio density functional theory and post-DFT Boltzmann's techniques are investigated. The electronic properties of these compounds are also discussed. We find high values of Seebeck coefficient and small values of electronic thermal conductivity for AlCTi3, AlNSc3, AlCNi3, AlNTi3, GaCCr3 and MgCNi3 between -0.25 and 0.25 eV chemical potential. These results show high dimensionless figure of merit in metallic materials and therefore, we predict these materials can be potential candidates for low temperature thermoelectric applications.

  19. Organic acid compounds in root exudation of Moso Bamboo (Phyllostachys pubescens) and its bioactivity as affected by heavy metals.

    Science.gov (United States)

    Chen, Junren; Shafi, Mohammad; Wang, Ying; Wu, Jiasen; Ye, Zhengqian; Liu, Chen; Zhong, Bin; Guo, Hua; He, Lizhi; Liu, Dan

    2016-10-01

    Moso bamboo (Phyllostachys pubescens) has great potential as phytoremediation material in soil contaminated by heavy metals. A hydroponics experiment was conducted to determine organic acid compounds of root exudates of lead- (Pb), zinc- (Zn), copper- (Cu), and cadmium (Cd)-tolerant of Moso bamboo. Plants were grown in nutrients solution which included Pb, Zn, Cu, and Cd applied as Pb(NO3)2 (200 μM), ZnSO4·7H2O (100 μM), CuSO4·5H2O (25 μM), and CdCl2 (10 μM), respectively. Oxalic acid and malic acid were detected in all treatments. Lactic acid was observed in Cu, Cd, and control treatments. The oxalic was the main organic acid exudated by Moso bamboo. In the sand culture experiment, the Moso bamboo significantly activated carbonate heavy metals under activation of roots. The concentration of water-soluble metals (except Pb) in sand were significantly increased as compared with control. Organic acids (1 mM mixed) were used due to its effect on the soil adsorption of heavy metals. After adding mixed organic acids, the Cu and Zn sorption capacity in soils was decreased markedly compared with enhanced Pb and Cd sorption capacity in soils. The sorption was analyzed using Langmuir and Freundlich equations with R (2) values that ranged from 0.956 to 0.999 and 0.919 to 0.997, respectively.

  20. Graphene-Based Materials as Solid Phase Extraction Sorbent for Trace Metal Ions, Organic Compounds, and Biological Sample Preparation.

    Science.gov (United States)

    Ibrahim, Wan Aini Wan; Nodeh, Hamid Rashidi; Sanagi, Mohd Marsin

    2016-07-03

    Graphene is a new carbon-based material that is of interest in separation science. Graphene has extraordinary properties including nano size, high surface area, thermal and chemical stability, and excellent adsorption affinity to pollutants. Its adsorption mechanisms are through non-covalent interactions (π-π stacking, electrostatic interactions, and H-bonding) for organic compounds and covalent interactions for metal ions. These properties have led to graphene-based material becoming a desirable adsorbent in a popular sample preparation technique known as solid phase extraction (SPE). Numerous studies have been published on graphene applications in recent years, but few review papers have focused on its applications in analytical chemistry. This article focuses on recent preconcentration of trace elements, organic compounds, and biological species using SPE-based graphene, graphene oxide, and their modified forms. Solid phase microextraction and micro SPE (µSPE) methods based on graphene are discussed.

  1. Compound surface-plasmon-polariton waves guided by a thin metal layer sandwiched between a homogeneous isotropic dielectric material and a periodically multilayered isotropic dielectric material

    CERN Document Server

    Chiadini, Francesco; Scaglione, Antonio; Lakhtakia, Akhlesh

    2015-01-01

    Multiple p- and s-polarized compound surface plasmon-polariton (SPP) waves at a fixed frequency can be guided by a structure consisting of a metal layer sandwiched between a homogeneous isotropic dielectric (HID) material and a periodic multilayered isotropic dielectric (PMLID) material. For any thickness of the metal layer, at least one compound SPP wave must exist. It possesses the p-polarization state, is strongly bound to the metal/HID interface when the metal thickness is large but to both metal/dielectric interfaces when the metal thickness is small. When the metal layer vanishes, this compound SPP wave transmutes into a Tamm wave. Additional compound SPP waves exist, depending on the thickness of the metal layer, the relative permittivity of the HID material, and the period and the composition of the PMLID material. Some of these are p polarized, the others being s polarized. All of them differ in phase speed, attenuation rate, and field profile, even though all are excitable at the same frequency. The...

  2. Volatile organic compounds and metal leaching from composite products made from fiberglass-resin portion of printed circuit board waste.

    Science.gov (United States)

    Guo, Jie; Jiang, Ying; Hu, Xiaofang; Xu, Zhenming

    2012-01-17

    This study focused on the volatile organic compounds (VOCs) and metal leaching from three kinds of composite products made from fiberglass-resin portion (FRP) of crushed printed circuit board (PCB) waste, including phenolic molding compound (PMC), wood plastic composite (WPC), and nonmetallic plate (NMP). Released VOCs from the composite products were quantified by air sampling on adsorbent followed by thermal desorption and GC-MS analysis. The results showed that VOCs emitted from composite products originated from the added organic components during manufacturing process. Phenol in PMC panels came primarily from phenolic resin, and the airborne concentration of phenol emitted from PMC product was 59.4 ± 6.1 μg/m(3), which was lower than odor threshold of 100% response for phenol (180 μg/m(3)). VOCs from WPC product mainly originated from wood flour, e.g., benzaldehyde, octanal, and d-limonene were emitted in relatively low concentrations. For VOCs emitted from NMP product, the airborne concentration of styrene was the highest (633 ± 67 μg/m(3)). Leaching characteristics of metal ions from composite products were tested using acetic acid buffer solution and sulphuric acid and nitric acid solution. Then the metal concentrations in the leachates were tested by ICP-AES. The results showed that only the concentration of Cu (average = 893 mg/L; limit = 100 mg/L) in the leachate solution of the FRP using acetic acid buffer solution exceeded the standard limit. However, concentrations of other metal ions (Pb, Cd, Cr, Ba, and Ni) were within the standard limit. All the results indicated that the FRP in composite products was not a major concern in terms of environmental assessment based upon VOCs tests and leaching characteristics.

  3. Ionothermal synthesis and structural transformation targeted by ion exchange in metal-1,3,5-benzenetricarboxylate compounds

    Science.gov (United States)

    Xu, Qing-Qing; Liu, Bing; Xu, Ling; Jiao, Huan

    2017-03-01

    Ionothermal reactions of 1,3,5-benzenetricarboxylate acid (H3BTC) and Ni(NO3)2, Co(NO3)2 and Cu(NO3)2 gave two discrete 32-membered ring-like allomers, [M2(HBTC)2(NH2CONH2)2(H2O)4]·3H2O (M=Ni(1), Co(2)) and one layered [Cu2(BTC)Cl(H2O)4] (3). The weak interactions in 1 can be deconstructed to some degree in ion exchange by exploring the factors of divalent and trivalent metal species, metal concentration and soaking time, which are demonstrated by PXRD and N2 absorption. Cu2+ has the highest N2 adsorbance when soaking with 1, and 1 can keep structure stable when Cu2+ below 0.16 mol L-1 and the soaking time within 24d. As Cu2+ beyond 0.16 mol L-1 and the soaking time beyond 24d, the structure of compound 1 starts to transform with the crystal morphology from clear pale green to opaque blue. Ionothermal reactions of compound 1 with different Cu2+ amounts obtained Ni2+-Cu2+ hetero complexes, whose PXRD patterns are similar to that of 3 and EDS indicates Cu2+% increases with Cu2+ additions and close to 100% as Cu2+ being 1.6 mmol. It suggests that 3 is a controlled product and Cu2+ can transform discrete compound 1 into 2D compound 3.

  4. Solving the problem of structure determination in 3d transition metal based Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Balke, Benjamin; Fecher, Gerhard H.; Blum, Christian; Basit, Lubna; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany)

    2008-07-01

    This work reports on the structural investigation of Fe-containing, Co{sub 2}-based Heusler compounds (Co{sub 2}FeZ with Z=Al, Si, Ga, Ge) using anomalous X-ray diffraction (XRD) and extended X-ray absorption fine structure spectroscopy (EXAFS). Using XRD, it was shown that Co{sub 2}FeAl crystallizes in the B2 structure whereas Co{sub 2}FeSi crystallizes in the L2{sub 1} structure. For compounds containing Ga or Ge, the XRD technique with regular laboratory sources for excitation can not be used easily to distinguish the two structures. For this reason, EXAFS was used to elucidate the structure of these two compounds. The absorption experiments close to the K-edges of Co, Fe, Ga, and Ge indicated that both compounds crystallize in the L2{sub 1} structure. Exciting the XRD at the K-edges of Co and Fe leads to anomalous X-ray scattering. The dependence of the scattering parameters on the energy close to the absorption edges was used to identify the L2{sub 1} structure of the Ga and Ge containing compounds unambiguously. The applicability of the techniques on nano-scaled materials is demonstrated for the example of Co{sub 2}FeGa nano-particles with sizes of below 25 nm.

  5. Metal ions affecting the pulmonary and cardiovascular systems.

    Science.gov (United States)

    Corradi, Massimo; Mutti, Antonio

    2011-01-01

    Some metals, such as copper and manganese, are essential to life and play irreplaceable roles in, e.g., the functioning of important enzyme systems. Other metals are xenobiotics, i.e., they have no useful role in human physiology and, even worse, as in the case of lead, may be toxic even at trace levels of exposure. Even those metals that are essential, however, have the potential to turn harmful at very high levels of exposure, a reflection of a very basic tenet of toxicology--"the dose makes the poison." Toxic metal exposure may lead to serious risks to human health. As a result of the extensive use of toxic metals and their compounds in industry and consumer products, these agents have been widely disseminated in the environment. Because metals are not biodegradable, they can persist in the environment and produce a variety of adverse effects. Exposure to metals can lead to damage in a variety of organ systems and, in some cases, metals also have the potential to be carcinogenic. Even though the importance of metals as environmental health hazards is now widely appreciated, the specific mechanisms by which metals produce their adverse effects have yet to be fully elucidated. The unifying factor in determining toxicity and carcinogenicity for most metals is the generation of reactive oxygen and nitrogen species. Metal-mediated formation of free radicals causes various modifications to nucleic acids, enhanced lipid peroxidation, and altered calcium and sulfhydryl homeostasis. Whilst copper, chromium, and cobalt undergo redox-cycling reactions, for metals such as cadmium and nickel the primary route for their toxicity is depletion of glutathione and bonding to sulfhydryl groups of proteins. This chapter attempts to show that the toxic effects of different metallic compounds may be manifested in the pulmonary and cardiovascular systems. The knowledge of health effects due to metal exposure is necessary for practising physicians, and should be assessed by inquiring

  6. Trends in air concentration and deposition at background monitoring sites in Sweden - major inorganic compounds, heavy metals and ozone

    Energy Technology Data Exchange (ETDEWEB)

    Kindbom, K.; Svensson, Annika; Sjoeberg, K.; Pihl Karlsson, G.

    2001-09-01

    This report describes concentrations in air of sulphur compounds, soot, nitrogen compounds and ozone in Sweden between 1985-1998. Time trends of concentration in precipitation and deposition of sulphate, nitrate, ammonium, acidity, base cations and chloride in six different regions covering Sweden are evaluated during the period 1983-1998. Trends of heavy metals in precipitation have been analysed for the period 1983-1998 and the change in heavy metal concentration, 1975-1995, in mosses is described. Data used in the trend analyses originates from measurements performed at six Swedish EMEP stations and from approximately 25 stations within the national Precipitation Chemistry Network. Two different statistical methods, linear regression and the non-parametric Mann Kendall test, have been used to evaluate changes in annual mean values. Time trends of concentration of sulphur dioxide, particulate sulphate, soot, nitrogen dioxide, total nitrate and total ammonium in air show highly significant decreasing trends, except for soot at one station in northern Sweden. Concentrations of ozone have a strong seasonal variation with a peak occurring in spring every year. However, annual ozone concentrations show no obvious trends in spite of decreasing emissions of the precursors NOx and VOC. A slight indication of a decreasing trend in the number of ozone episodes might be seen from 1990 to 1998. Sulphate concentrations in precipitation and deposition show strongly significant decreasing trends in the whole country. Concentrations and deposition of nitrate and ammonium have been decreasing in all areas except for nitrate at stations in south-west and north-west Sweden and ammonium in south-west Sweden. Acidity has decreased in all areas since 1989, resulting in increasing pH values in Sweden. The interannual variations of concentration and deposition of base cations and chloride are large and few general trends can be seen during 1983-1997. Time trends of four heavy metals in

  7. New electrolyte systems for capillary zone electrophoresis of metal cations and non-ionic organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Y.

    1995-06-19

    Excellent separations of metal ions can be obtained very quickly by capillary electrophoresis provided a weak complexing reagent is incorporated into the electrolyte to alter the effective mobilities of the sample ions. Indirect photometric detection is possible by also adding a UV-sensitive ion to the electrolyte. Separations are described using phthalate, tartrate, lactate or hydroxyisobutyrate as the complexing reagent. A separation of twenty-seven metal ions was achieved in only 6 min using a lactate system. A mechanism for the separation of lanthanides is proposed for the hydroxyisobutyrate system.

  8. Strategies of reducing the carcinogenic risk of cytostatic agents on the basis of bioassay evaluation.

    Science.gov (United States)

    Berger, M R

    1991-01-01

    This article described strategies that can be used to reduce the carcinogenic risk of cytostatic chemotherapy and summarizes our recent experimental results. Reduction of neoplasms caused by the carcinogenic potency inherent in cytostatic agents can be obtained. (A) by chemical modifications such as: (1) exchanging a chlorine atom in N, N'-bis-(2-chloroethyl)-N-nitrosourea (BCNU) in the chloroethyl group at N'-position for a hydroxyl group to form the less carcinogenic analog N-(2-chloroethyl)-N'-(2-hydroxyethyl)-N-nitrosourea (HECNU); (2) linking chlorambucil to the steroid prednisolone to obtain a conjugate (prednimustine) with distinctly lower carcinogenic potential than chlorambucil; (3) progressive ring halogenation of phenyl-triazenes to generate agents with decreased long-term toxic risk; (B) by replacing cyclophosphamide within the carcinogenic drug combination of cyclophosphamide, methotrexate and 5-fluorouracil (CMF) by vincristine to form the combination VMF which has no detectable carcinogenic potential; (C) by coadministration of cyclophosphamide and mesna to achieve a dose-related reduction of cyclophosphamide-induced urinary bladder carcinomas; (D) by administration of dinaline, a compound which reduces the spontaneous incidence of malignant tumors in rats. These examples demonstrate that the carcinogenic risk of single agents and drug combinations used for antineoplastic chemotherapy has successfully been reduced, as assessed in long-term bioassays. Such strategies should be considered in the treatment of patients with long life expectancy following cytotoxic chemotherapy.

  9. Rapid growth of FeAl inter-metallic compound under high undercooling conditions

    Institute of Scientific and Technical Information of China (English)

    L(U) Yongjun; WEI Bingbo

    2004-01-01

    Fe-58at%Al alloy is undercooled up to 222 K(0.15TL) with the drop tube technique. It is found that there exists a critical undercooling about 185 K, beyond which a "dendrite-equiaxed" growth morphology transition occurs in FeAI intermetallic compound. This transition is characterized by sharp decrease of its grain size. Once the undercooling exceeds 215 K, the peritectic transformation is suppressed completely and a fibrous structure is formed, which results from the cooperative growth of FeAI and FeAl2 compounds.

  10. [Development of novel methods for synthesis of heterocyclic compounds catalyzed by transition metals in fluorinated alcohols].

    Science.gov (United States)

    Saito, Akio

    2008-08-01

    New possibilities for catalytic syntheses of lactone derivatives and nitrogen-containing heterocyclic compounds in fluorinated alcohols are described. The cationic Rh(I) catalyst in fluorinated alcohol solvents (hexafluoroisopropanol: HFIP, trifluoroethanol: TFE) brought about not only mild cycloaddition reactions of ester-tethered compounds but also a facile formation of indole derivatives by the aromatic amino-Claisen rearrangement of N-propargyl aniline derivatives. The use of HFIP as an additive exerted a remarkable effect on the Pictet-Spengler reaction catalyzed by the fluorinated surfactant-combined Brønsted acid catalyst in water.

  11. Principles for prevention of toxic effects from metals

    DEFF Research Database (Denmark)

    Landrigan, Philip J.; Kotelchuk, David; Grandjean, Philippe

    2007-01-01

    of the Toxic Effects of Metals Aluminum Antimony Arsenic Barium Beryllium Bismuth Cadmium Chromium Cobalt Copper Gallium and Semiconductor Compounds Germanium Indium Iron Lead Manganese Mercury Molybdenum Nickel Palladium Platinum Selenium Silver Tellurium Thallium Tin Titanium Tungsten Uranium Vanadium Zinc...... and their compounds. An entirely new structure and illustrations represent the vast array of advancements made since the last edition. Special emphasis has been placed on the toxic effects in humans with chapters on the diagnosis, treatment and prevention of metal poisoning. This up-to-date reference provides easy...... Selected Molecular Mechanisms of Metal Toxicity and Carcinogenicity General Considerations of Dose-Effect and Dose-Response Relationships Interactions in Metal Toxicology Epidemiological Methods for Assessing Dose-Response and Dose-Effect Relationships Essential Metals: Assessing Risks from Deficiency...

  12. Depolymerization of organosolv lignin to aromatic compounds over Cu-doped porous metal oxides

    NARCIS (Netherlands)

    Barta, Katalin; Warner, Genoa R.; Beach, Evan S.; Anastas, Paul T.

    2014-01-01

    Isolated, solvent-extracted lignin from candlenut (Aleurites moluccana) biomass was subjected to catalytic depolymerization in methanol with an added pressure of H-2, using a porous metal oxide catalyst (PMO) derived from a Cu-doped hydrotalcite-like precursor. The Cu-PMO was effective in converting

  13. Tunable hydrogen storage in magnesium-transition metal compounds: first-principles calculations

    NARCIS (Netherlands)

    Er, S.; Tiwari, Dhirendra; Tiwari, D.; de Wijs, Gilles A.; Brocks, G.

    2009-01-01

    Magnesium dihydride (MgH2) stores 7.7 wt % hydrogen but it suffers from a high thermodynamic stability and slow (de)hydrogenation kinetics. Alloying Mg with lightweight transition metals (TM) (=Sc,Ti,V,Cr) aims at improving the thermodynamic and kinetic properties. We study the structure and

  14. Depolymerization of organosolv lignin to aromatic compounds over Cu-doped porous metal oxides

    NARCIS (Netherlands)

    Barta, Katalin; Warner, Genoa R.; Beach, Evan S.; Anastas, Paul T.

    2014-01-01

    Isolated, solvent-extracted lignin from candlenut (Aleurites moluccana) biomass was subjected to catalytic depolymerization in methanol with an added pressure of H-2, using a porous metal oxide catalyst (PMO) derived from a Cu-doped hydrotalcite-like precursor. The Cu-PMO was effective in converting

  15. Effects of Ga substitution on the structural and magnetic properties of half metallic Fe{sub 2}MnSi Heusler compound

    Energy Technology Data Exchange (ETDEWEB)

    Pedro, S. S., E-mail: sandrapedro@uerj.br; Caraballo Vivas, R. J.; Andrade, V. M.; Cruz, C.; Paixão, L. S.; Contreras, C.; Costa-Soares, T.; Rocco, D. L.; Reis, M. S. [Instituto de Física, Universidade Federal Fluminense, Niterói-RJ (Brazil); Caldeira, L. [IF Sudeste MG, Campus Juiz de Fora - Núcleo de Física, Juiz de Fora-MG (Brazil); Coelho, A. A. [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas - Unicamp, Campinas-SP (Brazil); Carvalho, A. Magnus G. [Laboratório Nacional de Luz Sincrotron, CNPEM, Campinas-SP (Brazil)

    2015-01-07

    The so-called half-metallic magnets have been proposed as good candidates for spintronic applications due to the feature of exhibiting a hundred percent spin polarization at the Fermi level. Such materials follow the Slater-Pauling rule, which relates the magnetic moment with the valence electrons in the system. In this paper, we study the bulk polycrystalline half-metallic Fe{sub 2}MnSi Heusler compound replacing Si by Ga to determine how the Ga addition changes the magnetic, the structural, and the half-metal properties of this compound. The material does not follow the Slater-Pauling rule, probably due to a minor structural disorder degree in the system, but a linear dependence on the magnetic transition temperature with the valence electron number points to the half-metallic behavior of this compound.

  16. A study on transformation of some transition metal oxides in molten steelmaking slag to magnetically susceptible compounds

    Directory of Open Access Journals (Sweden)

    Shatokha V.

    2013-01-01

    Full Text Available Sustainable development of steelmaking requires solving a number of environmental problems. Economically feasible and environmentally friendly recycling of slag wastes is of special concern. Research of the team representing National Metallurgical Academy of Ukraine, Royal Institute of Technology, Carnegie Mellon University and URS Corp revealed a possibility of the controlled phase transformations in the liquid silicate melts followed by formation of the magnetically susceptible compounds. This approach enables selective recovery of metal values from slag. In this paper, the results obtained and further research directions are discussed. A possibility to exploit physical properties of the transition metals, typical for the metallurgical slags (such as Fe, Mn, V and others, and corresponding specific properties of their compounds, such as non-stoichiometry, mixed valency, pseudomorphosis, thermodynamic stability etc, in production of value-added materials from slag wastes is discussed. The results of the studies of thermodynamics and kinetics of oxidation in slags followed by phase transformation with binary, ternary and complex oxides under various physicochemical conditions are discussed in the view of their application for production of the materials with predefined physical properties. Peculiarities of precipitation in slags with various basicities are analysed and demonstrate capacity of the proposed approach in the production of the material with a given structure and size - for example, nano-sized crystals with structure of spinel. The approaches towards industrial realization of the developed method are also discussed.

  17. Structure of metal-rich (001) surfaces of III-V compound semiconductors

    DEFF Research Database (Denmark)

    Kumpf, C.; Smilgies, D.; Landemark, E.

    2001-01-01

    feature of the structure is accompanied by linear arrays of atoms on nonbulklike sites at the surface which, depending on the compounds, exhibit a certain degree of disorder. A tendency to group-III-dimer formation within these chains increases when descending the periodic table. We propose that all the c...

  18. Transition metal catalyzed oxidation of Alcell lignin, soda lignin, and lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Jongerius, A.L.|info:eu-repo/dai/nl/325840202; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2013-01-01

    Lignin is a component of lignocellulosic biomass from which important aromatic compounds can potentially be obtained. In the present work, Alcell and soda lignin were dissolved in the ionic liquid 1-ethyl-3-methylimidazolium diethylphosphate (EMIM DEP) and subsequently oxidized using several transit

  19. Electron Correlations on a Mesoscopic Scale : Magnetic Properties of Transition Metal Telluride Cluster Compounds

    NARCIS (Netherlands)

    Palstra, T.T.M.; Steigerwald, M.L.; Ramirez, A.P.; Kwon, Y.-U.; Stuczynski, S.M.; Schneemeyer, L.F.; Waszczak, J.V.; Zaanen, J.

    1993-01-01

    We report the magnetic properties of a new class of materials: Ni9Te6n+ and Co6Te8n+ with n=0,1,2. These cluster compounds, which can be charged by chemical means from neutral to 2+, provide a unique and novel way to change the Fermi level. For most charge states we observe quenching of the spin and

  20. Transition metal catalyzed oxidation of Alcell lignin, soda lignin, and lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Jongerius, A.L.|info:eu-repo/dai/nl/325840202; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2013-01-01

    Lignin is a component of lignocellulosic biomass from which important aromatic compounds can potentially be obtained. In the present work, Alcell and soda lignin were dissolved in the ionic liquid 1-ethyl-3-methylimidazolium diethylphosphate (EMIM DEP) and subsequently oxidized using several

  1. QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs

    Directory of Open Access Journals (Sweden)

    Fucheng Song

    2016-11-01

    Full Text Available A new analysis strategy was used to classify the carcinogenicity of aromatic amines. The physical-chemical parameters are closely related to the carcinogenicity of compounds. Quantitative structure activity relationship (QSAR is a method of predicting the carcinogenicity of aromatic amine, which can reveal the relationship between carcinogenicity and physical-chemical parameters. This study accessed gene expression programming by APS software, the multilayer perceptrons by Weka software to predict the carcinogenicity of aromatic amines, respectively. All these methods relied on molecular descriptors calculated by CODESSA software and eight molecular descriptors were selected to build function equations. As a remarkable result, the accuracy of gene expression programming in training and test sets are 0.92 and 0.82, the accuracy of multilayer perceptrons in training and test sets are 0.84 and 0.74 respectively. The precision of the gene expression programming is obviously superior to multilayer perceptrons both in training set and test set. The QSAR application in the identification of carcinogenic compounds is a high efficiency method.

  2. QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs

    Science.gov (United States)

    Song, Fucheng; Zhang, Anling; Liang, Hui; Cui, Lianhua; Li, Wenlian; Si, Hongzong; Duan, Yunbo; Zhai, Honglin

    2016-01-01

    A new analysis strategy was used to classify the carcinogenicity of aromatic amines. The physical-chemical parameters are closely related to the carcinogenicity of compounds. Quantitative structure activity relationship (QSAR) is a method of predicting the carcinogenicity of aromatic amine, which can reveal the relationship between carcinogenicity and physical-chemical parameters. This study accessed gene expression programming by APS software, the multilayer perceptrons by Weka software to predict the carcinogenicity of aromatic amines, respectively. All these methods relied on molecular descriptors calculated by CODESSA software and eight molecular descriptors were selected to build function equations. As a remarkable result, the accuracy of gene expression programming in training and test sets are 0.92 and 0.82, the accuracy of multilayer perceptrons in training and test sets are 0.84 and 0.74 respectively. The precision of the gene expression programming is obviously superior to multilayer perceptrons both in training set and test set. The QSAR application in the identification of carcinogenic compounds is a high efficiency method. PMID:27854309

  3. A review of biosensing techniques for detection of trace carcinogen contamination in food products.

    Science.gov (United States)

    Li, Zhanming; Yu, Yue; Li, Zhiliang; Wu, Tao

    2015-04-01

    Carcinogen contaminations in the food chain, for example heavy metal ions, pesticides, acrylamide, and mycotoxins, have caused serious health problems. A major objective of food-safety research is the identification and prevention of exposure to these carcinogens, because of their impossible-to-reverse tumorigenic effects. However, carcinogen detection is difficult because of their trace-level presence in food. Thus, reliable and accurate separation and determination methods are essential to protect food safety and human health. This paper summarizes the state of the art in separation and determination methods for analyzing carcinogen contamination, especially the advances in biosensing methods. Furthermore, the application of promising technology including nanomaterials, imprinted polymers, and microdevices is detailed. Challenges and perspectives are also discussed.

  4. Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

    Energy Technology Data Exchange (ETDEWEB)

    Sujan, G.K., E-mail: sgkumer@gmail.com; Haseeb, A.S.M.A., E-mail: haseeb@um.edu.my; Afifi, A.B.M., E-mail: amalina@um.edu.my

    2014-11-15

    Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticle doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping

  5. Mutagens and carcinogens - Occurrence and role during chemical and biological evolution

    Science.gov (United States)

    Giner-Sorolla, A.; Oro, J.

    1981-01-01

    The roles of mutagenic and carcinogenic substances in early biologic evolution is examined, along with terrestrial and extraterrestrial sources of mutagens and carcinogens. UV solar radiation is noted to have served to stimulate prebiotic life while also causing harmful effects in plants and animals. Aromatic compounds have been found in meteorites, and comprise leukemogens, polycyclic hydrocarbons, and nitrasamine precursors. Other mutagenic sources are volcanoes, and the beginning of evolution with mutagenic substances is complicated by the appearance of malignancies due to the presence of carcinogens. The atmosphere of the Precambrian period contained both mutagens and early carcinogens and, combined with volcanic activity discharges, formed an atmospheric chemical background analogous to the background ionizing radiation. Carcinogenesis is concluded to be intrinsic to nature, having initiated evolution and, eventually, cancer cells.

  6. Speciation in Metal Toxicity and Metal-Based Therapeutics

    Directory of Open Access Journals (Sweden)

    Douglas M. Templeton

    2015-04-01

    Full Text Available Metallic elements, ions and compounds produce varying degrees of toxicity in organisms with which they come into contact. Metal speciation is critical to understanding these adverse effects; the adjectives “heavy” and “toxic” are not helpful in describing the biological properties of individual elements, but detailed chemical structures are. As a broad generalization, the metallic form of an element is inert, and the ionic salts are the species that show more significant bioavailability. Yet the salts and other chelates of a metal ion can give rise to quite different toxicities, as exemplified by a range of carcinogenic potential for various nickel species. Another important distinction comes when a metallic element is organified, increasing its lipophilicity and hence its ability to penetrate the blood brain barrier, as is seen, for example, with organic mercury and tin species. Some metallic elements, such as gold and platinum, are themselves useful therapeutic agents in some forms, while other species of the same element can be toxic, thus focusing attention on species interconversions in evaluating metal-based drugs. The therapeutic use of metal-chelating agents introduces new species of the target metal in vivo, and this can affect not only its desired detoxification, but also introduce a potential for further mechanisms of toxicity. Examples of therapeutic iron chelator species are discussed in this context, as well as the more recent aspects of development of chelation therapy for uranium exposure.

  7. Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim [Univ. of Missouri, Kansas City, MO (United States)

    2014-12-31

    Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

  8. In vitro susceptibility of the oomycete Pythium insidiosum to metallic compounds containing cadmium, lead, copper, manganese or zinc.

    Science.gov (United States)

    Ribeiro, Tatiana Corrêa; Weiblen, Carla; Botton, Sônia de Avila; Pereira, Daniela Isabel Brayer; de Jesus, Francielli Pantella Kunz; Verdi, Camila Marina; Gressler, Leticia Trevisan; Sangioni, Luís Antonio; Santurio, Janio Morais

    2017-08-01

    Pythium insidiosum is an aquatic oomycete that causes pythiosis, an important and severe disease of difficult treatment that affects humans, domestic and wild animals. This infection is often described in horses in Brazil and humans in Thailand. In clinical practice, we have observed many cases that do not respond to available therapies, indicating the need to explore alternative therapeutic approaches. In this sense, studies using metal compounds in conjunction with available antimicrobial agents have been demonstrated greater antimicrobial activity. Thus, in this research, we tested in vitro activities of metallic compounds containing cadmium, lead, copper, manganese, or zinc against 23 isolates of P. insidiosum. The assays were performed by broth microdilution based on CLSI M38-A2 document. The minimum inhibitory and fungicidal concentrations were established for all isolates. Copper acetate and cadmium acetate showed the highest inhibitory effects, with minimal inhibitory concentration ranging from 4-64 μg/ml and 16-256 μg/ml, respectively. The mean geometric for minimal fungicidal concentrations were, respectively, 26 μg/ml and 111.43 μg/ml for copper acetate and cadmium acetate. These results suggest that copper and cadmium can inhibit P. insidiosum growth, highlighting the greater inhibitory activity of copper acetate. In addition, our results propose that copper and/or cadmium compounds can be used in upcoming researches to formulate effective new complexed drugs against P. insidiosum in in vitro and in vivo experimental models. © The Author 2016. Published by Oxford University Press on behalf of The International Society for Human and Animal Mycology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  9. A Stable, Magnetic, and Metallic Li3O4 Compound as a Discharge Product in a Li-Air Battery.

    Science.gov (United States)

    Yang, Guochun; Wang, Yanchao; Ma, Yanming

    2014-08-07

    The Li-air battery with the specific energy exceeding that of a Li ion battery has been aimed as the next-generation battery. The improvement of the performance of the Li-air battery needs a full resolution of the actual discharge products. Li2O2 has been long recognized as the main discharge product, with which, however, there are obvious failures on the understanding of various experimental observations (e.g., magnetism, oxygen K-edge spectrum, etc.) on discharge products. There is a possibility of the existence of other Li-O compounds unknown thus far. Here, a hitherto unknown Li3O4 compound as a discharge product of the Li-air battery was predicted through first-principles swarm structure searching calculations. The new compound has a unique structure featuring the mixture of superoxide O2(-) and peroxide O2(2-), the first such example in the Li-O system. The existence of superoxide O2(-) creates magnetism and hole-doped metallicity. Findings of Li3O4 gave rise to direct explanations of the unresolved experimental magnetism, triple peaks of oxygen K-edge spectra, and the Raman peak at 1125 cm(-1) of the discharge products. Our work enables an opportunity for the performance of capacity, charge overpotential, and round-trip efficiency of the Li-air battery.

  10. Creep of metal-type organic compounds. 4: Application to hot isostatic pressing

    Energy Technology Data Exchange (ETDEWEB)

    Davies, G.C.; Jones, D.R.H. [Univ. of Cambridge (United Kingdom). Engineering Dept.

    1997-02-01

    Hot isostatic pressing (HIP) experiments using the metal analogue materials camphene and succinonitrile are described. Data obtained previously from uniaxial creep experiments are used in densification rate equations for HIP taken from the literature, and the predicted densification behavior is compared with experimental data. The HIP equations are then modified to include two different representations of the friction stress arising from a dispersed phase of fine, hard particles. In each case the modified theory adequately describes the experimental data.

  11. The role of iron compounds and hydrogen peroxideon the oxidation of metallic mercury

    OpenAIRE

    "愛甲, 博美"

    1980-01-01

    The uptake of metallic mercury with ferric and ferrous ions was studied. The results were; (1) Mercury uptake of free ferric ion increased with hydrogen peroxide, the maximum uptake was 1.0 mM. However, ferric ion was not taken up without hydrogen peroxide. (2) In the presence of ferric and ferrous ions with hydrogen peroxide, mercury uptake was maximum when the mole ratio (Fe(3+)/Fe(2+)) was 0.1.

  12. The different poisoning behaviors of various alkali metal containing compounds on SCR catalyst

    Science.gov (United States)

    Du, Xuesen; Yang, Guangpeng; Chen, Yanrong; Ran, Jingyu; Zhang, Li

    2017-01-01

    Alkali metals are poisonous to the metal oxide catalyst for NO removal. The chemical configuration of alkali containing substance and interacting temperature can affect the poisoning profile. A computational method based on Frontier Molecular Orbital analysis was proposed to determine the reacting behavior of various alkali-containing substances with SCR catalyst. The results reveal that the poisoning reactivities of various substances can be ranked as: E (MOH) > E (M2SO4) > E(MCl) > E(MNO3) > E(MHSO4). The experimental activity tests of the catalysts calcined at stepped temperatures show that NaOH can react with the catalyst below 200 °C. NaCl and NaNO3 start to react with the catalyst at a temperature between 300 and 400 °C. Unlike MOH, MCl and MNO3, which can produce volatile or decomposable species for the anions after reacting with the catalyst, M2SO4 and MHSO4 will leave both cations and anions on the catalyst surface. The sulfate ions left on the catalyst can generate active acid sites for NH3 adsorption. The experimental results also show that Na2SO4 and NaHSO4 will not lower the NO conversion. The after-reaction influences of various alkali metals were studied using theoretical and experimental methods. The theoretical results show that the acidity decreases with doping of alkali metal. Experiments show a consistent result that the NO conversion decreases as undoped >LiCl > NaCl > KCl.

  13. Exploring the DNA binding mode of transition metal based biologically active compounds

    Science.gov (United States)

    Raman, N.; Sobha, S.

    2012-01-01

    Few novel 4-aminoantipyrine derived Schiff bases and their metal complexes were synthesized and characterized. Their structural features and other properties were deduced from the elemental analysis, magnetic susceptibility and molar conductivity as well as from mass, IR, UV-vis, 1H NMR and EPR spectral studies. The binding of the complexes with CT-DNA was analyzed by electronic absorption spectroscopy, viscosity measurement, and cyclic voltammetry. The interaction of the metal complexes with DNA was also studied by molecular modeling with special reference to docking. The experimental and docking results revealed that the complexes have the ability of interaction with DNA of minor groove binding mode. The intrinsic binding constants ( Kb) of the complexes with CT-DNA were found out which show that they are minor groove binders. Gel electrophoresis assay demonstrated the ability of the complexes to cleave the pUC19 DNA in the presence of AH 2 (ascorbic acid). Moreover, the oxidative cleavage studies using distamycin revealed the minor groove binding for the newly synthesized 4-aminoantipyrine derived Schiff bases and their metal complexes. Evaluation of antibacterial activity of the complexes against Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Staphylococcus epidermidis, and Klebsiella pneumoniae exhibited that the complexes have potent biocidal activity than the free ligands.

  14. Are cadmium and other heavy metal compounds acting as endocrine disrupters?

    Science.gov (United States)

    Kortenkamp, Andreas

    2011-01-01

    Observations of specific interactions of the heavy metal cadmium with the estrogen receptor have spawned a series of studies to investigate the propensity of this and other heavy metals to act as estrogen mimicks. There is good evidence that Cd has the ability to produce estrogenic effects in rodents, including proliferation of the uterine and mammary tissues. These effects could be suppressed by cotreatment with specific estrogen receptor antagonists, suggesting mediation via the estrogen receptor. Epidemiological studies have provided some support for the idea that Cd poses cancer risks for hormone sensitive tissues, such as the breast and the endometrium. Strikingly, attempts to demonstrate estrogenic effects of Cd in in vitro assay systems have produced mixed results. Mitogenic effects on estrogen receptor-competent cells, activation of estrogen receptor-dependent gene transcription and signalling events associated with the estrogen receptor were observed in cellular models, but could not be reproduced by others. Despite these inconsistencies, the available evidence forces the conclusion that Cd and certain other heavy metals should be regarded as estrogen mimicks. In the context of deterministic risk assessment, this should lend further support for risk reduction measures by controlling exposure to Cd. However, data suitable for the quantitation of estrogenic risks, especially in comparison with the established health risks of Cd, are not yet available. It is recommended to close this knowledge gap with urgency.

  15. Volatile organic compounds and trace metal level in some beers collected from Romanian market

    Science.gov (United States)

    Voica, Cezara; Kovacs, Melinda; Vadan, Marius

    2013-11-01

    Beer is one of the most popular beverages at worldwide level. Through this study fifteen different types of beer collected from Romanian market were analysed in order to evaluate their mineral, trace element as well the their organic content. Importance of such characterization of beer samples is supported by the fact that their chemical composition can affect both taste and stability of beer, as well the consumer health. Minerals and trace elements analysis were performed on ICP-MS while organic compounds analysis was done through GC-MS. Through ICP-MS analysis, elements as Ca, Na, K and Mg were evidenced at mgṡkg-1 order while elements as Cr, Ba, Co, Ni were detected at lower level. After GC-MS analysis the major volatile compounds that were detected belong to alcohols namely ethanol, propanol, isobutanol, isoamyl alcohol and linalool. Selected fatty acids and esters were evidenced also in the studied beer samples.

  16. Evaporation of hydrocarbon compounds, including gasoline and diesel fuel, on heated metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Fardad, D.; Ladommatos, N. [Brunel Univ., Dept. of Mechanical Engineering, Uxbridge (United Kingdom)

    1999-11-01

    An investigation was carried out on the evaporation of various hydrocarbon liquids on heated surfaces. Single and multicomponent hydrocarbon compounds were used, including hexane, heptane, octane, a hexane-octane mixture, gasoline and diesel fuel. The heated surface included aluminium, mild steel, cast iron and copper. Tests were also carried out with different surface textures and surface coatings. The motivation for this work was a desire to improve understanding of the evaporation processes taking place in the inlet port and, to a lesser extent, within the combustion chamber of internal combustion engines. The hydrocarbon compounds were released on the heated surfaces as individual small droplets, and the subsequent evaporation was recorded using a CCD (charge coupled device) camera. These observations were then used to ascertain the effects of material, surface temperature, surface textures, surface coating and liquid composition on the heat flux and other aspects of droplet behaviour. (Author)

  17. Catalytic Addition of Simple Alkenes to Carbonyl Compounds Using Group 10 Metals.

    Science.gov (United States)

    Ho, Chun-Yu; Schleicher, Kristin D; Jamison, Timothy F

    2009-10-01

    Recent advances using nickel complexes in the activation of unactivated monosubstituted olefins for catalytic intermolecular carbon-carbon bond-forming reactions with carbonyl compounds, such as simple aldehydes, isocyanates, and conjugated aldehydes and ketones, are discussed. In these reactions, the olefins function as vinyl- and allylmetal equivalents, providing a new strategy for organic synthesis. Current limitations and the outlook for this new strategy are also discussed.

  18. High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

    Science.gov (United States)

    Kurashige, Yuki; Yanai, Takeshi

    2009-06-01

    This article presents an efficient and parallelized implementation of the density matrix renormalization group (DMRG) algorithm for quantum chemistry calculations. The DMRG method as a large-scale multireference electronic structure model is by nature particularly efficient for one-dimensionally correlated systems, while the present development is oriented toward applications for polynuclear transition metal compounds, in which the macroscopic one-dimensional structure of electron correlation is absent. A straightforward extension of the DMRG algorithm is proposed with further improvements and aggressive optimizations to allow its application with large multireference active space, which is often demanded for metal compound calculations. Special efficiency is achieved by making better use of sparsity and symmetry in the operator and wave function representations. By accomplishing computationally intensive DMRG calculations, the authors have found that a large number of renormalized basis states are required to represent high entanglement of the electron correlation for metal compound applications, and it is crucial to adopt auxiliary perturbative correction to the projected density matrix during the DMRG sweep optimization in order to attain proper convergence to the solution. Potential energy curve calculations for the Cr2 molecule near the known equilibrium precisely predicted the full configuration interaction energies with a correlation space of 24 electrons in 30 orbitals [denoted by (24e,30o)]. The energies are demonstrated to be accurate to 0.6mEh (the error from the extrapolated best value) when as many as 10 000 renormalized basis states are employed for the left and right DMRG block representations. The relative energy curves for [Cu2O2]2+ along the isomerization coordinate were obtained from DMRG and other correlated calculations, for which a fairly large orbital space (32e,62o) is modeled as a full correlation space. The DMRG prediction nearly overlaps

  19. Electronic, thermal, and superconducting properties of metal nitrides (MN) and metal carbides (MC) (M=V, Nb, Ta) compounds by first principles studies

    Energy Technology Data Exchange (ETDEWEB)

    Subhashree, G.; Sankar, S.; Krithiga, R. [Anna Univ., Chennai, Tamil Nadu (India). Condensed Matter Lab.

    2015-07-01

    Structural, electronic, and superconducting properties of carbides and nitrides of vanadium (V), niobium (Nb), and tantalum (Ta) (group V transition elements) have been studied by computing their electronic band structure characteristics. The electronic band structure calculations have been carried out based on the density functional theory (DFT) within the local density approximation (LDA) by using the tight binding linear muffin tin orbital method. The NaCl-type cubic structures of MN and MC (M=V, Nb, Ta) compounds have been confirmed from the electronic total energy minimum of these compounds. The ground state properties, such as equilibrium lattice constant (a{sub 0}), bulk modulus (B), and Wigner-Seitz radius (S{sub 0}) are determined and compared with available data. The electronic density of states reveals the metallic nature of the chosen materials. The electronic specific heat coefficient, Debye temperature, and superconducting transition temperature obtained from the band structure results are found to agree well with the earlier reported literature.

  20. Critical factors in assessing risk from exposure to nasal carcinogens.

    Science.gov (United States)

    Bogdanffy, M S; Mathison, B H; Kuykendall, J R; Harman, A E

    1997-10-31

    Anatomical, physiological, biochemical and molecular factors that contribute to chemical-induced nasal carcinogenesis are either largely divergent between test species and humans, or we know very little of them. These factors, let alone the uncertainty associated with our knowledge gap, present a risk assessor with the formidable task of making judgments about risks to human health from exposure to chemicals that have been identified in rodent studies to be nasal carcinogens. This paper summarizes some of the critical attributes of the hazard identification and dose-response aspects of risk assessments for nasal carcinogens that must be accounted for by risk assessors in order to make informed decisions. Data on two example compounds, dimethyl sulfate and hexamethylphosphoramide, are discussed to illustrate the diversity of information that can be used to develop informed hypotheses about mode of action and decisions on appropriate dosimeters for interspecies extrapolation. Default approaches to interspecies dosimetry extrapolation are described briefly and are followed by a discussion of a generalized physiologically based pharmacokinetic model that, unlike default approaches, is flexible and capable of incorporating many of the critical species-specific factors. Recent advancements in interspecies nasal dosimetry modeling are remarkable. However, it is concluded that without the development of research programs aimed at understanding carcinogenic susceptibility factors in human and rodent nasal tissues, development of plausible modes of action will lag behind the advancements made in dosimetry modeling.

  1. Metal Atom Dynamics and Spin-Lattice Relaxation in Multilayer Sandwich Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nowik, Israel; Herber, Rolfe H., E-mail: HERBER@VMS.HUJI.AC.il [Hebrew University of Jerusalem, Racah Institute of Physics (Israel)

    2004-12-15

    Temperature-dependent {sup 57}Fe Moessbauer spectroscopy has been used to elucidate the hyperfine parameters and dynamical behavior of the metal atom in several organo-iron complexes which have one or more {eta}{sup 5} P{sub 5} ring structures as ligated groups. The spin-lattice relaxation of the (paramagnetic) one-electron oxidation products occurs on a time scale fast compared to {tau}{sub 1/2} (ME) at temperatures in the range 85 < T < 320 K.

  2. Theoretical modelling of intermediate band solar cell materials based on metal-doped chalcopyrite compounds

    Energy Technology Data Exchange (ETDEWEB)

    Palacios, P. [Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain)]. E-mail: pablop@etsit.upm.es; Sanchez, K. [Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain); Conesa, J.C. [Instituto de Catalisis y Petroleoquimica, CSIC, Marie Curie 2, Cantoblanco, 28049 Madrid (Spain); Fernandez, J.J. [Dpt. de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, 28080, Madrid (Spain); Wahnon, P. [Instituto de Energia Solar and Dpt. de Tecnologias Especiales, ETSI de Telecomunicacion, UPM, Ciudad Universitaria s/n, 28040 Madrid (Spain)

    2007-05-31

    Electronic structure calculations are carried out for CuGaS{sub 2} partially substituted with Ti, V, Cr or Mn to ascertain if some of these systems could provide an intermediate band material able to give a high efficiency photovoltaic cell. Trends in electronic level positions are analyzed and more accurate advanced theory levels (exact exchange or Hubbard-type methods) are used in some cases. The Ti-substituted system seems more likely to yield an intermediate band material with the desired properties, and furthermore seems realizable from the thermodynamic point of view, while those with Cr and Mn might give half-metal structures with applications in spintronics.

  3. Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ning [Iowa State Univ., Ames, IA (United States)

    2004-12-19

    Thermal expansion anomalies of R2Fe14B and R2Fe17Cx (x = 0,2) (R = Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (Tc) is observed. The a-axes show relatively larger invar effects than c-axes in the R2Fe14B compounds whereas the R2Fe17Cx show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R2Fe14B compounds but in R2Fe17Cx, the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R2Fe14B and the dumbbell sites in R2Fe17Cx have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R2Fe17 compounds are attributed to the increased separation of Fe hexagons. The R2Fe17 and R2Fe14B phases with magnetic rare earth ions also show anisotropies of thermal expansion above c. For R2Fe17 and R2Fe14B the a a/a c > 1 whereas the anisotropy is reversed with the interstitial carbon in R2Fe17. The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and

  4. Perturbed Angular Correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida

    computationally demanding Coupled Cluster results. We also determined to what degree the computationally cheaper approximate relativistic methods ZORA(-4) and SR-ZORA-4 at the DFT level can reproduce fully-relativistic results. As a result, we proposed reliable computational methods applicable to Hg binding sites...... compounds in terms of the atomic constituents. The analysis provided a chemophysical interpretation of changes in Vzz upon structural distortions and ligand exchange. The gained insights can be useful when predicting and understanding changes in Q values for Hg binding sites in proteins. One of the first...

  5. Heavy metals and polycyclic hydrocarbon compounds in benthic organisms of the Upper Gulf of Thailand

    Energy Technology Data Exchange (ETDEWEB)

    Hungspreugs, M.; Silpipat, S.; Tonapong, C.; Lee, R.F.; Windom, H.L.; Tenore, K.R.

    1984-06-01

    Concentrations of heavy metals and polycyclic aromatic hydrocarbons (PAHs) were measured in bivalves collected in the Upper Gulf of Thailand. PAHs detected included acenaphthene, acenaphthylene, benzo(a)pyrene, fluoranthene, methylphenanthrene, phenanthrene and triphenylene. Benzol(a)pyrene was detected in all species at concentrations varying from 1.0 to 8.2 ng.g/sup -1/. Concentrations of cadmium, cobalt, copper, lead, and nickel were significantly lower in bivalves from the Gulf than in green mussels collected from the mouth of the Chao Phraya River. No correlation was found between metal concentrations in animals and sediment, with the exception of copper. Copper concentrations in polychaetes and clams appeared to correlate with the copper:iron ratio of sediments. High rates of degradation were observed when radiolabelled chlorobenzene, phenanthrene and chrysene were added to water and sediment of the Chao Phraya River. Rates were lower in the waters and sediment of the Gulf of Thailand. The calculated half-lives of chlorobenzene in the Gulf of Thailand and the Chao Phraya River were about 130 and 68 days, respectively. 32 references, 3 figures, 3 tables.

  6. Mineral fibre persistence and carcinogenicity.

    Science.gov (United States)

    McDonald, J C

    1998-10-01

    Epidemiological research during the past 40 years has demonstrated with increasing clarity that amphibole asbestos fibres--crocidolite, amosite and tremolite--are more carcinogenic than chrysotile. A smaller number of well-controlled studies using lung burden analyses, while adding to the specificity of this conclusion, have shown that amphibole fibres also differ from chrysotile in being far more durable and biopersistent in lung tissue. Analyses of mesothelioma and lung cancer in a large cohort of Canadian chrysotile miners and millers have recently shown that the low-level presence of fibrous tremolite in these mines, rather than the chrysotile, may well be responsible. The high risk of lung cancer, but not of mesothelioma, in the chrysotile textile industry remains anomalous and cannot be explained in this way. These various findings are directly relevant to the choice of the experimental methods which should be used for screening man-made fibres for industrial use. Although it is clear that biopersistence is a major determinant of cancer risk in animals, and perhaps also in man, other factors affecting the biological activity of mineral fibres may also be important.

  7. Comparison of the expression profiles induced by genotoxic and nongenotoxic carcinogens in rat liver

    Energy Technology Data Exchange (ETDEWEB)

    Ellinger-Ziegelbauer, Heidrun [Bayer Healthcare AG, Department of Molecular and Genetic Toxicology, Aprather Weg 18a, 42096 Wuppertal (Germany)]. E-mail: heidrun.ellinger-ziegelbauer@bayerhealthcare.com; Stuart, Barry [Bayer Crop Science, Department of Toxicology, Stilwell, KS (United States); Wahle, Brad [Bayer Crop Science, Department of Toxicology, Stilwell, KS (United States); Bomann, Werner [Bayer Crop Science, Department of Toxicology, Stilwell, KS (United States); Ahr, Hans Juergen [Bayer Healthcare AG, Department of Molecular and Genetic Toxicology, Aprather Weg 18a, 42096 Wuppertal (Germany)

    2005-08-04

    Application of recently developed gene expression techniques using microarrays in toxicological studies (toxicogenomics) facilitate the interpretation of a toxic compound's mode of action and may also allow the prediction of selected toxic effects based on gene expression changes. In order to test this hypothesis, we investigated whether carcinogens at doses known to induce liver tumors in the 2-year rat bioassay deregulate characteristic sets of genes in a short term in vivo study and whether these deregulated genes represent defined biological pathways. Male Wistar rats were dosed with the four nongenotoxic hepatocarcinogens methapyrilene (MPy, 60 mg/kg/day), diethylstilbestrol (DES, 10 mg/kg/day), Wy-14643 (Wy, 60 mg/kg/day), and piperonylbutoxide (PBO, 1200 mg/kg/day). After 1, 3, 7, and 14 days, the livers were taken for histopathological evaluation and for analysis of the gene expression profiles on Affymetrix RG{sub U}34A arrays. The expression profile of the four nongenotoxic carcinogens were compared to the profiles of the four genotoxic carcinogens 2-nitrofluorene (2-NF), dimethylnitrosamine (DMN), 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), and aflatoxin B1 (AB1) from a similar study reported previously. By using statistical and clustering tools characteristically deregulated genes were extracted and functionally classified. Distinct cellular pathways were affected by the nongenotoxic carcinogens compared to the genotoxic carcinogens which at least partly correlated with the two-stage model of carcinogenesis. Characteristic to genotoxic carcinogens were a DNA damage response and the activation of proliferative and survival signaling. Nongenotoxic carcinogens showed responses to oxidative DNA or protein damage, as well as cell cycle progression and signs of regeneration. Many of the gene alterations found with the nongenotoxic carcinogens imply compound-specific mechanisms. Although neither a single gene nor a single pathway will be

  8. Preparation of solid-state samples of a transition metal coordination compound for synchrotron radiation photoemission studies

    CERN Document Server

    Crotti, C; Celestino, T; Fontana, S

    2003-01-01

    The aim of this research was to identify a sample preparation method suitable for the study of transition metal complexes by photoemission spectroscopy with synchrotron radiation as the X-ray source, even in the case where the compound is not evaporable. Solid-phase samples of W(CO) sub 4 (dppe) [dppe=1,2-bis(diphenylphosphino)ethane] were prepared according to different methods and their synchrotron radiation XPS spectra measured. The spectra acquired from samples prepared by spin coating show core level peaks only slightly broader than the spectrum recorded from UHV evaporated samples. Moreover, for these samples the reproducibility of the binding energy values is excellent. The dependence of the spin coating technique on parameters such as solvent and solution concentration, spinning speed and support material was studied. The same preparation method also allowed the acquisition of valence band spectra, the main peaks of which were clearly resolved. The results suggest that use of the spin coating techniqu...

  9. Ferromagnetism in half-metallic quaternary FeVTiAl Heusler compound

    Science.gov (United States)

    Bhat, Tahir Mohiuddin; Bhat, Idris Hamid; Yousuf, Saleem; Gupta, Dinesh C.

    2016-05-01

    The electronic structure and magnetic properties of FeVTiAl quaternary Heusler alloy have been investigated within the density functional theory framework. The material was found completely spin-polarized half-metallic Ferromagnet in the ground state with F-43m structure. The structural stability was further confirmed by calculating different elastic constants in the cubic phase. Present study predicts an energy band gap of 0.72 eV calculated in localized minority spin channel at an equilibrium lattice parameter of 6.0Å. The calculated total spin magnetic moment of 2 µB/f.u. is in agreement with the Slater-Pauling rule for full Heusler alloys.

  10. On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vlaisavljevich, Bess; Miro, P.; Cramer, C. J.; Gagliardi, Laura; Infante, I.; Liddle, S. T.

    2011-06-28

    Eleven experimentally characterized complexes containing heterobimetallic bonds between elements of the f-block and other elements were examined by quantum chemical methods: [(η⁵-C₅H₅)₂(THF)LuRu(η⁵-C₅H₅) (CO)₂], [(η⁵-C₅Me₅)₂(I)ThRu(η⁵-C₅H₅) (CO)₂], [(η⁵-C₅H₅)₂YRe(η⁵-C₅H₅)₂], [{N(CH₂CH₂NSiMe₃)₃}URe(η⁵-C₅H₅)₂], [Y{Ga(NArCh)₂}{C(PPh₂NSiH₃)₂}(CH₃OCH₃)₂], [{N(CH₂CH₂NSiMe₃)₃}U{Ga(NArCH)₂}(THF)], [(η⁵-C₅H₅)₃UGa(η⁵-C₅Me₅)], [Yb(η⁵-C₅H₅){Si(SiMe₃)₃(THF)₂}], [(η⁵-C₅H₅)₃U(SnPh₃)], [(η⁵-C₅H₅)₃U(SiPh₃)], and (Ph[Me]N)₃USi(SiMe₃)₃. Geometries in good agreement with experiment were obtained at the density functional level of theory. The multiconfigurational complete active space self-consistent field method (CASSCF) and subsequent corrections with second order perturbation theory (CASPT2) were applied to further understand the electronic structure of the lanthanide/actinide–metal (or metal–metalloid) bonds. Fragment calculations and energy-decomposition analyses were also performed and indicate that charge transfer occurs from one supported metal fragment to the other, while the bonding itself is always dominated by ionic character.

  11. Perturbed Angular Correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida

    steps towards understanding how Zn(II) reaches its target position in biological systems in vivo and in vitro experiments in aqueous solution, is the detailed investigation of water exchange reactions for Zn(II)(aq). A very advanced (albeit not complete) picture of structure and dynamics of solvated Zn......199mHg PAC and 199Hg NMR spectroscopic properties, nuclear quadrupole coupling constants, Q, asymmetry parameters, , and chemical shifts, , respectively, are the fingerprint of the local molecular and electronic structure, at the probed Hg nuclei. For this reason, these spectroscopic techniques...... compounds in terms of the atomic constituents. The analysis provided a chemophysical interpretation of changes in Vzz upon structural distortions and ligand exchange. The gained insights can be useful when predicting and understanding changes in Q values for Hg binding sites in proteins. One of the first...

  12. Titanium coordination compounds: from discrete metal complexes to metal–organic frameworks

    KAUST Repository

    Assi, Hala

    2017-05-24

    Owing to their promise in photocatalysis and optoelectronics, titanium based metal–organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still “unpredictable” reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

  13. Steam reforming of biomass gasification tar using benzene as a model compound over various Ni supported metal oxide catalysts.

    Science.gov (United States)

    Park, Hyun Ju; Park, Sung Hoon; Sohn, Jung Min; Park, Junhong; Jeon, Jong-Ki; Kim, Seung-Soo; Park, Young-Kwon

    2010-01-01

    The steam reforming of benzene as a model compound of biomass gasification tar was carried out over various Ni/metal oxide catalysts. The effects of the support, temperature, Ni-precursor, Ni loading and reaction time were examined, and their catalytic performance was compared with that of a commercial Ni catalyst. Among the Ni/metal oxide catalysts used, 15 wt% Ni/CeO(2)(75%)-ZrO(2)(25%) showed the highest catalytic performance owing to its greater redox characteristics and increased surface area, irrespective of the reaction temperature. The catalytic activity of 15 wt% Ni/CeO(2)(75%)-ZrO(2)(25%) was higher than that of the commercial Ni catalyst. Moreover, the catalyst activity was retained due to its excellent resistance to coke deposition even after 5h. The Ni-precursor played a critical role in the catalytic activity. With the exception of nickel nitrate, all the Ni-precursors (chloride and sulfate) caused deactivation of the catalyst.

  14. Toxicity testing of heavy metals with the Rhizobium-legume symbiosis: High sensitivity to cadmium and arsenic compounds.

    Science.gov (United States)

    Neumann, H; Bode-Kirchhoff, A; Madeheim, A; Wetzel, A

    1998-01-01

    Legume root nodules are the site of biological nitrogen fixation in the Rhizobium-legume symbiosis. Nodules are structures unique to this symbiosis and they are morphologically as well as physiologically distinct from other plant organs. Organic substances affecting the macro- or microsymbionts vitality, such as PAHs (WETZEL: et al., 1991), reduce nodulation even before visible damage to the plant can be detected. We present data that the formation of nodules (nodulation) may also serve for ecotoxicological evaluation of heavy metals in different binding states. Tests were performed in petri dishes with alfalfa (lucerne) seedlings inoculated with Rhizobium meliloti. Cultivation took place in growth cabinets with carefully standardized and documented growth conditions. Data from stressed plants was recorded after 14 days of cultivation on contaminated substrate. A dose responsive decrease in nodulation was found after application of cadmium acetate, cadmium iodide, cadmium chloride, sodium salts of arsenate and arsenite, arsenic pentoxide, and lead nitrate, whereas lead acetate showed no effect up to a concentration of 3 microM. The dose response curves were used to calculate EC10, EC50 and EC90 values. EC50 values for cadmium compounds range from 1.5 to 9.5 pM. Testing different arsenic compounds results in EC50 from 2.6 to 20.1 microM. EC50 of lead nitrate is 2.2 microM. The sensitivity, reproducibility and reliability of this test system is discussed compared to established biotests.

  15. Solvent exfoliation of transition metal dichalcogenides: dispersibility of exfoliated nanosheets varies only weakly between compounds.

    Science.gov (United States)

    Cunningham, Graeme; Lotya, Mustafa; Cucinotta, Clotilde S; Sanvito, Stefano; Bergin, Shane D; Menzel, Robert; Shaffer, Milo S P; Coleman, Jonathan N

    2012-04-24

    We have studied the dispersion and exfoliation of four inorganic layered compounds, WS(2), MoS(2), MoSe(2), and MoTe(2), in a range of organic solvents. The aim was to explore the relationship between the chemical structure of the exfoliated nanosheets and their dispersibility. Sonication of the layered compounds in solvents generally gave few-layer nanosheets with lateral dimensions of a few hundred nanometers. However, the dispersed concentration varied greatly from solvent to solvent. For all four materials, the concentration peaked for solvents with surface energy close to 70 mJ/m(2), implying that all four have surface energy close to this value. Inverse gas chromatography measurements showed MoS(2) and MoSe(2) to have surface energies of ∼75 mJ/m(2), in good agreement with dispersibility measurements. However, this method suggested MoTe(2) to have a considerably larger surface energy (∼120 mJ/m(2)). While surface-energy-based solubility parameters are perhaps more intuitive for two-dimensional materials, Hansen solubility parameters are probably more useful. Our analysis shows the dispersed concentration of all four layered materials to show well-defined peaks when plotted as a function of Hansen's dispersive, polar, and H-bonding solubility parameters. This suggests that we can associate Hansen solubility parameters of δ(D) ∼ 18 MPa(1/2), δ(P) ∼ 8.5 MPa(1/2), and δ(H) ∼ 7 MPa(1/2) with all four types of layered material. Knowledge of these properties allows the estimation of the Flory-Huggins parameter, χ, for each combination of nanosheet and solvent. We found that the dispersed concentration of each material falls exponentially with χ as predicted by solution thermodynamics. This work shows that solution thermodynamics and specifically solubility parameter analysis can be used as a framework to understand the dispersion of two-dimensional materials. Finally, we note that in good solvents, such as cyclohexylpyrrolidone, the dispersions are

  16. Co-transport of metals and organic compounds in geochemical, biochemical and environmental processes

    Energy Technology Data Exchange (ETDEWEB)

    Shock, E.L. [GEOPIG, St. Louis, Washington Univ., MO (United States). Dept. of Earth and Planetary Sciences

    1998-12-31

    If the environment is defined as consisting of the interdependent processes that enable life to persist, then environmental science begins where geology and biology overlap. It follows that the environmental chemistry emerges from the confluence of geochemistry and biochemistry. With increasing evidence that the biosphere extends well into what has traditionally been considered the sterile geosphere, perhaps even to thousands of meters of the crust (Ghiorse and Wilson, 1988; Pedersen and Ekendahl, 1990; Stevens and McKinley, 1995; Boone et al., 1995), many crustal geochemical processes are being re-evaluated in terms of their potential for supporting life, and microorganisms are increasingly invoked to explain the rates and mechanisms of reactions in geochemical processes (Banfield and Hamers, 1997; Barker et al.,1997; Bazylinski and Moskowitz, 1997; Fortin et al., 1997; Little et al., 1997; McCollom and Shock, 1997; Nordstrom and Southam, 1997; Tebo et al., 1997). Elemental mobility from the geosphere to the hydrosphere, biosphere and atmosphere occurs in surface reactions that are often mediated by microorganisms that actively uptake metals and other nutrients from their surrounding geochemical environments.

  17. Thermal, structural, and magnetic studies of metals and intermetallic compounds. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Wallace, W.E.; Craig, R.S.; Rao, V.U.S.

    1976-08-15

    The powerful magnetism of certain intermetallics, e.g., SmCo/sub 5/, has been established to originate with the powerful magnetic anisotropy of SmCo/sub 5/, not its large magnetization. The anisotropy is, in turn, a crystal field effect. The crystal field interaction has been elucidated by the method of quantum mechanics. Studies of the systems RFe/sub 2/, RFe/sub 3/, RCo/sub 3/, and R/sub 2/Co/sub 7/ (R = a rare earth, Y or Th) reveals them to be important for hydrogen storage. In addition, important effects associated with hydrogenation of metals have been found--great enhancement of magnetization of certain systems (e.g., ErFe/sub 2/) and substantial increase in superconducting transition temperatures (e.g., Zr/sub .5/H/sub .5/V/sub 2/). Results of studies suggest that the surfaces of rare earth intermetallics are atypical. The spectrum of properties exhibited by the rare earth intermetallics suggests their utility in the efficient capture and storage of solar energy and the use of it for powering a vehicle. These aspects of the systems warrant further attention.

  18. Monitoring of metals, organic compounds and coliforms in water catchment points from the Sinos River basin.

    Science.gov (United States)

    Nascimento, C A; Staggemeier, R; Bianchi, E; Rodrigues, M T; Fabres, R; Soliman, M C; Bortoluzzi, M; Luz, R B; Heinzelmann, L S; Santos, E L; Fleck, J D; Spilki, F R

    2015-05-01

    Unplanned use and occupation of the land without respecting its capacity of assimilation and environmental purification leads to the degradation of the environment and of water used for human consumption. Agricultural areas, industrial plants and urban centres developed without planning and the control of effluent discharges are the main causes of water pollution in river basins that receive all the liquid effluents produced in those places. Over the last decades, environmental management has become part of governmental agendas in search of solutions for the preservation of water quality and the restoration of already degraded resources. This study evaluated the conditions of the main watercourse of the Sinos River basin by monitoring the main physical, chemical and microbiological parameters described in the CONAMA Resolution no. 357/2005.The set of parameters evaluated at five catchment points of water human consumption revealed a river that has different characteristics in each reach, as the upper reach was class 1, whereas the middle and lower reaches of the basin were class 4. Monitoring pointed to households as the main sources of pollutants in those reaches, although metals used in the industrial production of the region were found in the samples analyzed.

  19. Hypervalent Compounds as Ligands: I 3 -Anion Adducts with Transition Metal Pentacarbonyls

    KAUST Repository

    Rogachev, Andrey Yu.

    2013-06-17

    Just a couple of transition metal complexes of the familiar triiodide anion are known. To investigate the bonding in these, as well as isomeric possibilities, we examined theoretically adducts of I3 - with model organometallic fragments, [Cr(CO)5] and [Mn(CO) 5]+. Bonding energy computations were augmented by a Natural Bond Orbital (NBO) perturbation theory analysis and Energy Decomposition Analysis (EDA). The bonding between I3 - and the organometallic fragment is substantial, especially for the electrostatically driven anion-cation case. "End-on" coordination is favored by 5-13 kcal/mol over "side-on" (to the central I of I3 -), with a ∼10 kcal/mol barrier for isomerization. A developing asymmetry in the I-I bonding of "end-on" coordinated I 3 - led us to consider in some detail the obvious fragmentation to a coordinated I- and free I2. While the signs of incipient fragmentation in that direction are there, these is a definite advantage to maintaining some I- to I2 bonding in triiodide complexes. © 2013 American Chemical Society.

  20. Radioactive and stable metal bioaccumulation, crystalline compound and siderophore detection in Clavariadelphus truncatus

    Energy Technology Data Exchange (ETDEWEB)

    Gaso, M.I. [ININ, Ap. Post. 18-1027, C.P. 11801, Mexico D.F. (Mexico)], E-mail: migp@nuclear.inin.mx; Segovia, N. [Instituto de Geofisica, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: nurina@terra.com.mx; Morton, O. [Instituto de Geofisica, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: omorton@geofisica.unam.mx; Lopez, J.L. [Instituto de Geografia, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: jlc@servidor.unam.mx; Machuca, A. [Departmento Forestal, Universidad de Concepcion, Los Angeles (Chile)], E-mail: angmachu@udec.cl; Hernandez, E. [Instituto de Geofisica, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: aeliza@geofisica.unam.mx

    2007-09-15

    {sup 137}Cs and {sup 40}K activity concentrations and stable elements have been measured in Clavariadelphus truncatus collected in Mexico. Iron-chelating compounds of siderophore-type was also studied in the species. {sup 137}Cs and {sup 40}K were determined in soil and mushroom samples with HpGe gamma-ray spectrometry. Macro- and micro-elemental concentrations were determined by XRF and ICP-MS. Siderophore detection was obtained with a colorimetric assay and X-ray diffraction analysis was performed using a Siemens D5000 diffractometer. {sup 137}Cs geometric mean concentration in C. truncatus was 26 times higher as compared with other Mexican edible mushroom species, while {sup 40}K showed stability. Soil-C. truncatus concentration ratio for {sup 137}Cs and other micro-elements such as Cs, Rb and Pb were also higher than other Mexican edible species. The {sup 137}Cs committed effective dose due to the ingestion of C. truncatus was 8 x 10{sup -6} Sv year{sup -1}. The main crystalline structure found in C. truncatus was D-Mannitol.

  1. Occurrence of the carcinogenic compound ptaquiloside in the soil environment

    DEFF Research Database (Denmark)

    Rasmussen, Lars Holm; Kroghsbo, Stine; Frisvad, Jens Christian

    2003-01-01

    -content in the standing biomass, which could be transferred to the soil by the end of the growing season, ranged between 10 and 260 mgm2, with nine sites having ptaquiloside loads over 100 mgm2. The carbon-content in the O-horizon, the precipitation, the amount of Bracken-litter, the turnover rate and the size of Bracken...

  2. [Classification of substances to predict the order of magnitude of their safe water levels in terms of carcinogenic effect].

    Science.gov (United States)

    Zholdakova, Z I; Kharchevnikova, N V

    2011-01-01

    A classification has been developed to predict the safe water levels of chemical compounds in terms of their carcinogenic effect, by using as the base the LTD@10 value that is a lower 95% confidence limits for the lowest dose that statistically significantly causes a 10% increase in the incidence of cancer in laboratory animals continuously receiving a daily dose of the compound throughout their life, which is given in the CPDB internet resource, and the carcinogenicity classification adopted by the International Agency or Research on Cancer Based on an analysis ofthe maximum allowable concentration (MAC) of the standardized water substances in terms of their carcinogenic effect, the authors determined MA4 C ranges corresponding to different classes in accordance with the proposed classification. They predicted the orders of magnitude of MAC of the standardized water substances without taking into account their carcinogenic effect and those of four substances unstandardized in Russia.

  3. Rapid and efficient synthesis of alkali metal-C[sub 60] compounds in liquid ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Buffinger, D.R.; Ziebarth, R.P.; Stenger, V.A.; Recchia, C.; Pennington, C.H. (Ohio State Univ., Columbus, OH (United States))

    1993-10-06

    The reaction of stoichiometric amounts of alkali metals with C[sub 60] in liquid ammonia provides a rapid and quantitative route to M[sub x]C[sub 60] superconductors (M[sub x] = K[sub 3]/, Rb[sub 3]/, CsRb[sub 2], RbCs[sub 2], KRbCs). Annealing of the samples for 24-48 h at 375[degrees]C is required to obtain large superconducting fractions. [sup 13]C and [sup 87]Rb NMR line shapes are reported for Rb[sub 3]C[sub 60]. The [sup 13]C line shapes show the degree of rotational motion of the C[sub 60] ions varies considerably from sample to sample and is dependent on the method of preparation and subsequent heat treatment. A correlation between the degree of rotational motion and the superconducting fraction is noted and attributed to the amount of disorder in the sample. [sup 87]Rb NMR shows three peaks indicating that Rb[sub 3]C[sub 60] actually contains three different cation sites, rather than the two suggested by X-ray powder diffraction data. The third site is occupied by approximately 15% of the Rb ions in Rb[sub 3]C[sub 60] and is shown to be a subset of the tetrahedral sites in the cubic close-packed C[sub 60] lattice. Although the exact nature of the distortion required to produce the third site is unknown, it appears to be unrelated to the orientations of the C[sub 60] ions creating the site. 18 refs., 2 figs.

  4. Synthesis of nanoporous carbohydrate metal-organic framework and encapsulation of selected organic compounds

    Science.gov (United States)

    Al-Ghamdi, Saleh

    Cyclodextrin metal organic frameworks (CDMOFs) with different types of cyclodextrins (CDs) (i.e., Alpha, Beta and Gamma-CD) and coordination potassium ion sources (KOH) CDMOF-a and (C7H5KO2) CDMOF-b were synthesized and fully characterized. The physical and thermal properties of the successfully produced CDMOFs were evaluated using N2 gas sorption, thermal gravimetric analysis (TGA), X-ray diffraction (XRD), and scanning electron microscopy (SEM). The N2 gas sorption isotherm revealed high uptake into the micropores (330 cm3.g -1 for Gamma-CDMOF-a) to macropore (125 cm3.g -1 for Gamma-CDMOF-b) structures with isotherm types I and II for Gamma-CDMOFs and Alpha-CDMOFs, respectively. The Langmuir specific surface area (SSA) of Gamma-CDMOF-a (1376 m2.g-1) was significantly higher than the SSA of Alpha-CDMOF-a (289 m2.g -1) and Beta-CDMOF-a (54 m2.g-1). The TGA of dehydrated CDMOF crystals showed the structures were thermally stable up to 300 °C. The XRD of the Gamma-CDMOFs and Alpha-CDMOFs showed a highly face-centered-cubic symmetrical structure. An Aldol condensation reaction occurred during the encapsulation of acetaldehyde, hexanal, trans-2-hexenal, and ethanol into Gamma-CDMOF-a, with a SSA of 1416 m2.g -1. However, Gamma-CDMOF-b with a SSA of 499 m2.g -1 was successfully used to encapsulate acetaldehyde. The maximum release of acetaldehyde from CDMOF-b was 53 mug of acetaldehyde per g of CDMOF, which is greater than previously reported acetaldehyde encapsulation on Beta-CD inclusion complexes.

  5. Cu-based metal-organic framework/activated carbon composites for sulfur compounds removal

    Science.gov (United States)

    Shi, Rui-Hua; Zhang, Zhen-Rong; Fan, Hui-Ling; Zhen, Tian; Shangguan, Ju; Mi, Jie

    2017-02-01

    MOF-199 was modified by incorporating activated carbon (AC) during its synthesis under hydrothermal conditions to improve its performance in the removal of hydrogen sulfide (H2S) and dimethyl sulfide (CH3SCH3). A variety of different characterization techniques including X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, nitrogen adsorption/desorption isotherms, scanning electron microscopy (SEM), pyridine adsorption infrared spectroscopy (Py-IR), thermogravimetric- mass spectroscopy (TG-MS) and X-ray photoelectron spectroscopy (XPS) were used to analyze the fresh and exhausted composites. It was found that the composites, which have an amount of AC of less than 2%, had the same morphology as those of pristine MOF-199, but exhibited a more ordered crystallinity structure as well as higher surface area. The composite with 2% AC incorporation showed highest sulfur capacity of 8.46 and 8.53% for H2S and CH3SCH3, respectively, which increased by 51 and 41% compared to that of MOF-199. This improvement was attributed to the formation of more micropores and especially the increased number of unsaturated copper metal sites, as revealed by Py-IR. It is suggested the chemical reaction was apparent during adsorption of H2S, which resulted in the formation of CuS and the collapse of the MOF structure. Whereas reversible chemisorption was found for CH3SCH3 adsorption, as testified by TG-MS and fixed-bed regeneration. Exhausted MAC-2 can be almost totally regenerated by high temperature 180 °C nitrogen purge, indicating a promising adsorbent for CH3SCH3 removal.

  6. Complexation by natural heterogeneous compounds: Site occupation distribution functions, a normalized description of metal complexation

    Science.gov (United States)

    Buffle, J.; Altmann, R. S.; Filella, M.; Tessier, A.

    1990-06-01

    This paper presents a new conceptual approach to interpreting titration curves of metal complexation by physically and chemically heterogeneous natural complexants such as humic acids, clays, complete soils, or sediments. The physico-chemical and analytical difficulties encountered with such systems are reviewed by comparison with a system containing only a few simple ligands, followed by discussion of the new approach on the same basis. It is shown that interpretation of heterogeneous complexant properties necessitates a preliminary transformation of experimental raw data into a function sufficiently normalized so as to allow comparison of results obtained under different conditions. A normalized function called a Site Occupation Distribution Function (SODF) and its potential usefulness is described here. The SODF is a readily computable function which relates the complexation buffer intensity of the system to the differential free energy of the complexation sites present. Its major interest is that it enables one to obtain both a rigorous mathematical description of the complexant properties (even when highly heterogeneous) at the macroscopic level and, in certain cases, an estimation of the molecular-scale behavior of particular site types. The relationship of the SODF to other distribution functions proposed in the literature is discussed and applications are exemplified using simulated and real natural systems. In particular, its utility is discussed in detail for (1) discriminating between different site types (major, minor, dominant, background), (2) evaluating the degree of heterogeneity of an unknown complexant system, (3) estimating the nature and true thermodynamic constants of complexes, and (4) yielding a rigorous definition of "complexation capacity."

  7. Metals, organic compounds, and nutrients in Long Island Sound: sources, magnitudes, trends, and impacts

    Science.gov (United States)

    Mullaney, John R.; Varekamp, J.C.; MCElroy, A.E.; Brsslin, V.T.

    2014-01-01

    Long Island Sound (LIS) is a relatively shallow estuary with a mean depth of 20 m (maximum depth 49 m) and a unique hydrology and history of pollutant loading. Those factors have contributed to a wide variety of contamination problems in its muddy sediments, aquatic life and water column. The LIS sediments are contaminated with a host of legacy and more recently released toxic compounds and elements related to past and present wastewater discharges and runoff. These include non-point and storm water runoff and groundwater discharges, whose character has changed over the years along with the evolution of its watershed and industrial history. Major impacts have resulted from the copious amounts of nutrients discharged into LIS through atmospheric deposition (N), domestic and industrial waste water flows, fertilizer releases, and urban runoff. All these sources and their effects are in essence the result of human presence and activities in the watershed, and the severity of pollutant loading and their impacts generally scales with total population in the watersheds surrounding LIS. Environmental legislation passed since the mid-to late 1900s (e.g., Clean Air Act, Clean Water Act) has had a beneficial effect, however, and contaminant loadings for many toxic organic and inorganic chemicals and nutrients have diminished over the last few decades (O’Shea and Brosnan 2000; Trench, et al, 2012; O’Connor and Lauenstein 2006; USEPA 2007). Major strides have been made in reducing the inflow of nutrients into LIS, but cultural eutrophication is still an ongoing problem and nutrient control efforts will need to continue. Nonetheless, LIS is still a heavily human impacted estuary (an ‘Urban Estuary’, as described for San Francisco Bay by Conomos, 1979), and severe changes in water quality and sediment toxicity as well as ecosystem shifts have been witnessed over the relatively short period since European colonization in the early 1600s (Koppelman et al., 1976).

  8. [Neurotoxic occupational substances: I. Metals and their compounds. A literature review of the years 1970 to 1982].

    Science.gov (United States)

    Triebig, G; Büttner, J

    1983-01-01

    The knowledge of the neurotoxicity to the peripheral nervous system of arsenic, lead, thallium and mercury as well as their compounds is reviewed according to the literature of the period 1970-1982. - First acute and chronic intoxications are described with special reference of the neurological symptoms. Then we review the results of electromyographic, neurophysiological and histological investigations. Field studies in occupationally exposed groups and evaluation of dose-response-relationships are specified in detail. Further the presented results are discussed according to aspects in occupational medicine. The following conclusions can be drawn: Neuropathies after arsenic intoxications are characterized by symmetric sensory symptoms as usually numbness and paresthesiae of the distal extremities, but the neurophysiological and histological studies showed a great variety of results. In a former study a significant dose-response-relationship between arsenic load and evidence of neuropathy in workers was demonstrated. The onset of impairments of the peripheral nervous system caused by chronic lead exposure is discussed controversially. Some reports showed a dose-response-relationship between a slowering of nerve conduction velocities and an increase of the lead body burden. Proposals of threshold values ranged between 50 to 80 micrograms lead/dl blood. Other authors did not confirm these results. Longitudinal studies are, with one exception, not available at present. Thus a relevant evaluation, particularly regarding relevance and prognosis of a mild slowering of nerve conduction velocity, can not be given now. The neurotoxicity of mercury and its compounds is well demonstrated. In case of the metal and the inorganic compounds a direct damage of the peripheral nerve is possible, whereas for organic compounds the pathophysiological mechanism is unclear. Studies concerning dose-response-relationships as well as evaluation of threshold values in chronically exposed

  9. Radioprotection by metals: Selenium

    Science.gov (United States)

    Weiss, J. F.; Srinivasan, V.; Kumar, K. S.; Landauer, M. R.

    The need exists for compounds that will protect individuals from high-dose acute radiation exposure in space and for agents that might be less protective but less toxic and longer acting. Metals and metal derivatives provide a small degree of radioprotection (dose reduction factor salt, sodium selenite, and the organic Se compound, selenomethionine, enhance the survival of irradiated mice (60Co, 0.2 Gy/min) when injected IP either before (-24 hr and -1 hr) or shortly after (+15 min) radiation exposure. When administered at equitoxic doses (one-fourth LD10; selenomethionine = 4.0 mg/kg Se, sodium selenite = 0.8 mg/kg Se), both drugs enhanced the 30-day survival of mice irradiated at 9 Gy. Survival after 10-Gy exposure was significantly increased only after selenomethionine treatment. An advantage of selenomethionine is lower lethal and behavioral toxicity (locomotor activity depression) compared to sodium selenite, when they are administered at equivalent doses of Se. Sodium selenite administered in combination with WR-2721, S-2-(3-aminopropylamino)ethylphosphorothioic acid, enhances the radioprotective effect and reduces the lethal toxicity, but not the behavioral toxicity, of WR-2721. Other studies on radioprotection and protection against chemical carcinogens by different forms of Se are reviewed. As additional animal data and results from human chemoprevention trials become available, consideration also can be given to prolonged administration of Se compounds for protection against long-term radiation effects in space.

  10. Recovery of rare metal compounds from nickel-metal hydride battery waste and their application to CH4 dry reforming catalyst.

    Science.gov (United States)

    Kanamori, Tomohiro; Matsuda, Motohide; Miyake, Michihiro

    2009-09-30

    The recovery of valuable components such as nickel from nickel-metal hydride (Ni-MH) battery waste by chemical processes and their applications to CH(4) dry reforming catalysts were investigated. Three types of compound, identified by XRD analysis as NiO, CeO(2) and LaCoO(3) phases, were successfully separated from the waste by a series of chemical processes at room temperature using aqueous solutions of HCl, NaOH and NH(3), and Ni component of approximately 70% in Ni-MH battery waste was recovered. The separated NiO, CeO(2) and LaCoO(3) showed catalytic activities for CH(4) dry reforming. In particular, the separated NiO easily reduced to Ni(0) at an initial stage, and exhibited excellent catalytic activity in terms of CH(4) conversion and stability. Furthermore, it was found that the resulting Ni from separated NiO exhibited an anomalous catalysis from the comparison with that from regent NiO.

  11. Multiplet calculations of L2,3 x-ray absorption near-edge structures for 3d transition-metal compounds

    NARCIS (Netherlands)

    de Groot, F.M.F.; Ikeno, H.; Stavitski, E.; Tanaka, I.

    2009-01-01

    The purpose of this work is to compare the two different procedures to calculate the L2,3 x-ray absorption spectra of transition-metal compounds: (1) the semi-empirical charge transfer multiplet (CTM) approach and (2) the ab initio configuration-interaction (CI) method based on molecular orbitals.

  12. Half-metallicity and magnetism of the full-Heusler compounds KYX2 (Y=Ti, V, and Cr; X=C, N, and O)

    Science.gov (United States)

    Dehghanzadeh, M.; Ahmadian, F.

    2017-02-01

    The electronic structure and half-metallic (HM) properties of new alloys KYX2 (Y=Ti, V, and Cr; X=C, N, and O) containing transition metals and sp elements were investigated within the density functional theory (DFT) using the self-consistent full-potential linearized augmented plane wave (FPLAPW) method. It was found that these new compounds can be experimentally synthesized because of their negative formation energies. The total energy calculations showed that in all compounds, the stable state structure was a ferromagnetic AlCu2Mn-type structure except for KTiC2 and KTiN2 which were stable in a nonmagnetic (NM) AlCu2Mn-type structure. The KTiO2 in both structures, KCrO2 in AlCu2Mn-type structure, and KVO2 in CuHg2Ti-type structure were half-metallic ferromagnets. KVO2 in AlCu2Mn-type structure was a special case with a ferromagnetic semiconducting behavior. The origin of minority band gaps for KTiO2 in both structures was also studied using the band structure calculations. The total magnetic moments of HM compounds were integer values which were in agreement with Slater-Pauling rule (Mtot=Ztot-12). Furthermore, the regions of half-metallictiy in HM compounds were considerably wider than those of Heusler compounds including transition metals, indicating the high robustness of half-metallicity with variation of lattice constants.

  13. Carcinogenic effects of benzene: Cesare Maltoni's contributions.

    Science.gov (United States)

    Mehlman, Myron A

    2002-12-01

    Cesare Maltoni's contributions to understanding, identifying, and characterizing widely used commercial chemicals in experimental animals are among the most important methods developed in the history of toxicology and serve to protect working men and women, the general population, and our environment from hazardous substances. Maltoni developed experimental methods that have reached the "platinum standard" for protection of public health. Benzene was among the 400 or more chemicals that Maltoni and his associates tested for carcinogenicity. In 1976, Maltoni reported that benzene is a potent experimental carcinogen. Maltoni's experiments clearly demonstrated that benzene is carcinogenic in Sprague-Dawley rats, Wistar rats, Swiss mice, and RF/J mice when administered by inhalation or ingestion. Benzene caused carcinomas of the Zymbal gland, oral cavity, nasal cavities; cancers of the skin, forestomach, mammary glands, and lungs; angiosarcomas and hepatomas of the liver; and hemolymphoreticular cancers. Thus, benzene was shown to be a multipotential carcinogen that produced cancers in several species of animals by various routes of administration. On November 2, 1977, Chemical Week reported that Maltoni provided a "bombshell" when he demonstrated the "first direct link" between benzene and cancer. In this paper, I shall summarize early experiments and human studies and reports; Maltoni's experimental contribution to understanding the carcinogenicity of benzene in humans and animals; earlier knowledge concerning benzene toxicity; and benzene standards and permissible exposure levels.

  14. Cell-mediated mutagenesis by chemical carcinogens

    Energy Technology Data Exchange (ETDEWEB)

    Huberman, E.; Langenbach, R.

    1978-01-01

    The cell-mediated mutation system, with the proper choice of metabolizing cells, can be used to detect the mutagenic activities of different classes of chemical carcinogens. When fibroblastic cells were used as the metabolizing cells, a correlation between the in vivo carcinogenic activity and the in vitro mutagenic activity of 11 aromatic polycyclic hydrocarbons was observed. When primary liver cells were used as the metabolizing cells, three known liver carcinogens were demonstrated to be mutagenic by the cell-mediated assay, while two non-carcinogenic analogues were not mutagenic. These results from the cell-mediated system suggest that the reactive intermediates of the carcinogens are stable enough to be transferred from the metabolizing cells to the V79 cells. The cell-mediated mutagenesis system is a simple in vitro assay which may simulate the in vivo situation. It was concluded that this approach could be extended to the co-cultivation of cells from other organs or tissues with mutable mammalian cells.

  15. Biochemical and medical importance of vanadium compounds.

    Science.gov (United States)

    Korbecki, Jan; Baranowska-Bosiacka, Irena; Gutowska, Izabela; Chlubek, Dariusz

    2012-01-01

    Vanadium belongs to the group of transition metals and is present in the air and soil contaminants in large urban agglomerations due to combustion of fossil fuels. It forms numerous inorganic compounds (vanadyl sulfate, sodium metavanadate, sodium orthovanadate, vanadium pentoxide) as well as complexes with organic compounds (BMOV, BEOV, METVAN). Depending on the research model, vanadium compounds exhibit antitumor or carcinogenic properties. Vanadium compounds generate ROS as a result of Fenton's reaction or of the reaction with atmospheric oxygen. They inactivate the Cdc25B(2) phosphatase and lead to degradation of Cdc25C, which induces G(2)/M phase arrest. In cells, vanadium compounds activate numerous signaling pathways and transcription factors, including PI3K-PKB/Akt-mTOR, NF-κB, MEK1/2-ERK, that cause cell survival or increased expression and release of VEGF. Vanadium compounds inhibit p53-dependent apoptosis and promote entry into the S phase of cells containing functional p53 protein. In addition, vanadium compounds, in particular organic derivatives, have insulin-mimetic and antidiabetic properties. Vanadium compounds lower blood glucose levels in animals and in clinical trials. They also inhibit the activity of protein tyrosine phosphatase 1B. By activating the PI3K-PKB/Akt pathway, vanadium compaunds increase the cellular uptake of glucose by the GLUT4 transporter. The PKB/Akt pathway is also used to inactivate glycogen synthase kinase-3. The impact of vanadium compounds on inflammatory reactions has not been fully studied. Vanadium pentoxide causes expression of COX-2 and the release of proinflammatory cytokines in a human lung fibroblast model. Other vanadium compounds activate NF-κB in macrophages by activating IKKβ.

  16. Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.

    Science.gov (United States)

    Azar, Michael R; Boron, Thaddeus T; Lutter, Jacob C; Daly, Connor I; Zegalia, Kelcie A; Nimthong, Ruthairat; Ferrence, Gregory M; Zeller, Matthias; Kampf, Jeff W; Pecoraro, Vincent L; Zaleski, Curtis M

    2014-02-01

    The inclusion of Ln(III) ions into the 12-MC-4 framework generates the first heterotrimetallic complexes of this molecular class. The controllable and deliberate preparations of these compounds are demonstrated through 12 crystal structures of the Ln(III)M(I)(OAc)4[12-MCMn(III)(N)shi-4](H2O)4·6DMF complex, where OAc(-) is acetate, shi(3-) is salicylhydroximate, and DMF is N,N-dimethylformamide. Compounds 1-12 have M(I) as Na(I), and Ln(III) can be Pr(III) (1), Nd(III) (2), Sm(III) (3), Eu(III) (4), Gd(III) (5), Tb(III) (6), Dy(III) (7), Ho(III) (8), Er(III) (9), Tm(III) (10), Yb(III) (11), and Y(III) (12). An example with M(I) = K(I) and Ln(III) = Dy(III) is also reported (Dy(III)K(OAc)4[12-MCMn(III)(N)shi-4](DMF)4·DMF (14)). When La(III), Ce(III), or Lu(III) is used as the Ln(III) ions to prepare the Ln(III)Na(I)(OAc)4[12-MCMn(III)(N)shi-4] complex, the compound Na2(OAc)2[12-MCMn(III)(N)shi-4](DMF)6·2DMF·1.60H2O (13) results. For compounds 1-12, the identity of the Ln(III) ion affects the 12-MCMn(III)(N)shi-4 framework as the largest Ln(III), Pr(III), causes an expansion of the 12-MCMn(III)(N)shi-4 framework as demonstrated by the largest metallacrown cavity radius (0.58 Å for 1 to 0.54 Å for 11), and the Pr(III) causes the 12-MCMn(III)(N)shi-4 framework to be the most domed structure as evident in the largest average angle about the axial coordination of the ring Mn(III) ions (103.95° for 1 to 101.69° for 11). For 14, the substitution of K(I) for Na(I) does not significantly affect the 12-MCMn(III)(N)shi-4 framework as many of the structural parameters such as the metallacrown cavity radius (0.56 Å) fall within the range of compounds 1-12. However, the use of the larger K(I) ion does cause the 12-MCMn(III)(N)shi-4 framework to become more planar as evident in a smaller average angle about the axial coordination of the ring Mn(III) ions (101.35°) compared to the analogous Dy(III)/Na(I) (7) complex (102.40°). In addition to broadening the range of

  17. 3D Online Submicron Scale Observation of Mixed Metal Powder's Microstructure Evolution in High Temperature and Microwave Compound Fields

    Directory of Open Access Journals (Sweden)

    Dan Kang

    2014-01-01

    Full Text Available In order to study the influence on the mechanical properties caused by microstructure evolution of metal powder in extreme environment, 3D real-time observation of the microstructure evolution of Al-Ti mixed powder in high temperature and microwave compound fields was realized by using synchrotron radiation computerized topography (SR-CT technique; the spatial resolution was enhanced to 0.37 μm/pixel through the designed equipment and the introduction of excellent reconstruction method for the first time. The process of microstructure evolution during sintering was clearly distinguished from 2D and 3D reconstructed images. Typical sintering parameters such as sintering neck size, porosity, and particle size of the sample were presented for quantitative analysis of the influence on the mechanical properties and the sintering kinetics during microwave sintering. The neck size-time curve was obtained and the neck growth exponent was 7.3, which indicated that surface diffusion was the main diffusion mechanism; the reason was the eddy current loss induced by the external microwave fields providing an additional driving force for mass diffusion on the particle surface. From the reconstructed images and the curve of porosity and average particle size versus temperature, it was believed that the presence of liquid phase aluminum accelerated the densification and particle growth.

  18. Metal organic frameworks as sorption media for volatile and semi-volatile organic compounds at ambient conditions

    Science.gov (United States)

    Vellingiri, Kowsalya; Szulejko, Jan E.; Kumar, Pawan; Kwon, Eilhann E.; Kim, Ki-Hyun; Deep, Akash; Boukhvalov, Danil W.; Brown, Richard J. C.

    2016-06-01

    In this research, we investigated the sorptive behavior of a mixture of 14 volatile and semi-volatile organic compounds (four aromatic hydrocarbons (benzene, toluene, p-xylene, and styrene), six C2-C5 volatile fatty acids (VFAs), two phenols, and two indoles) against three metal-organic frameworks (MOFs), i.e., MOF-5, Eu-MOF, and MOF-199 at 5 to 10 mPa VOC partial pressures (25 °C). The selected MOFs exhibited the strongest affinity for semi-volatile (polar) VOC molecules (skatole), whereas the weakest affinity toward was volatile (non-polar) VOC molecules (i.e., benzene). Our experimental results were also supported through simulation analysis in which polar molecules were bound most strongly to MOF-199, reflecting the presence of strong interactions of Cu2+ with polar VOCs. In addition, the performance of selected MOFs was compared to three well-known commercial sorbents (Tenax TA, Carbopack X, and Carboxen 1000) under the same conditions. The estimated equilibrium adsorption capacity (mg.g‑1) for the all target VOCs was in the order of; MOF-199 (71.7) >Carboxen-1000 (68.4) >Eu-MOF (27.9) >Carbopack X (24.3) >MOF-5 (12.7) >Tenax TA (10.6). Hopefully, outcome of this study are expected to open a new corridor to expand the practical application of MOFs for the treatment diverse VOC mixtures.

  19. Highly selective and sensitive detection of metal ions and nitroaromatic compounds by an anionic europium(iii) coordination polymer.

    Science.gov (United States)

    Feyisa Bogale, Raji; Ye, Junwei; Sun, Yuan; Sun, Tongxin; Zhang, Siqi; Rauf, Abdul; Hang, Cheng; Tian, Peng; Ning, Guiling

    2016-07-01

    A luminescent Eu(iii)-based coordination polymer, {[Eu(H2O)5(BTEC)][H(C5H6N2)]·3H2O} () has been synthesized under hydrothermal conditions using 1,2,4,5-benzenetetracarboxylic acid (H4BTEC) as a linker. Compound possesses an anionic zig-zag chain constructed from the BTEC ligands and [EuO4(H2O)5] nodes. The protonated 4-aminopyridine groups as guests are located between chains. exhibits the characteristic sharp emission bands of Eu(3+) at 578, 593, 615, 652 and 693 nm upon excitation at 290 nm. The strong emission of could be quenched effectively by trace amounts of Fe(3+) ions even in the presence of other metal ions including Al(3+), Ca(2+), Cd(2+), Co(2+), Cr(3+), Cu(2+), Fe(2+), K(+), Mg(2+), Mn(2+), Pd(2+) and Zn(2+). Similarly, also exhibits superior selectivity and sensitivity towards 4-nitrophenol (4-NP) compared with other competing interfering analytes, such as 2,4,6-trinitrophenol, 2,6-dinitrotolune, 4-nitrotoluene, nitrobenzene, 1,3-dinitrobenzene, o-xylene, nitromethane, nitropropane, phenol, 4-bromophenol and bromobenzene, through a fluorescence quenching mechanism. The possible fluorescence quenching mechanisms are discussed. Moreover, could be used as a visual fluorescent test paper for selectively detecting trace amounts of Fe(3+) and 4-NP.

  20. 3D online submicron scale observation of mixed metal powder's microstructure evolution in high temperature and microwave compound fields.

    Science.gov (United States)

    Kang, Dan; Xu, Feng; Hu, Xiao-fang; Dong, Bo; Xiao, Yu; Xiao, Ti-qiao

    2014-01-01

    In order to study the influence on the mechanical properties caused by microstructure evolution of metal powder in extreme environment, 3D real-time observation of the microstructure evolution of Al-Ti mixed powder in high temperature and microwave compound fields was realized by using synchrotron radiation computerized topography (SR-CT) technique; the spatial resolution was enhanced to 0.37  μm/pixel through the designed equipment and the introduction of excellent reconstruction method for the first time. The process of microstructure evolution during sintering was clearly distinguished from 2D and 3D reconstructed images. Typical sintering parameters such as sintering neck size, porosity, and particle size of the sample were presented for quantitative analysis of the influence on the mechanical properties and the sintering kinetics during microwave sintering. The neck size-time curve was obtained and the neck growth exponent was 7.3, which indicated that surface diffusion was the main diffusion mechanism; the reason was the eddy current loss induced by the external microwave fields providing an additional driving force for mass diffusion on the particle surface. From the reconstructed images and the curve of porosity and average particle size versus temperature, it was believed that the presence of liquid phase aluminum accelerated the densification and particle growth.

  1. Adsorption of volatile organic compounds by metal-organic frameworks MIL-101: influence of molecular size and shape.

    Science.gov (United States)

    Yang, Kun; Sun, Qian; Xue, Feng; Lin, Daohui

    2011-11-15

    Adsorption of gaseous volatile organic compounds (VOCs) on metal-organic frameworks MIL-101, a novel porous adsorbent with extremely large Langmuir surface area of 5870 m(2)/g and pore volume of 1.85 cm(3)/g, and the influence of VOC molecular size and shape on adsorption were investigated in this study. We observed that MIL-101 is a potential superior adsorbent for the sorptive removal of VOCs including polar acetone and nonpolar benzene, toluene, ethylbeznene, and xylenes. MIL-101 is of higher adsorption capacities for all selected VOCs than zeolite, activated carbon and other reported adsorbents. Adsorption of VOCs on MIL-101 is captured by a pore filling mechanism, showing the size and shape selectivity of VOC molecules. These prove to be a negative linear relationship between the volume adsorption capacities of VOCs and their molecular cross-sectional area values. Most VOC molecules, such as acetone, benzene, toluene, ethylbenzene and p-xylene, enter into MIL-101 pores with the planes having the minimum diameters. However, m-xylene and o-xylene may fill into the pores with the planes having the maximum diameters because of the preferred interaction of MIL-101 with the two methyl groups of adsorbate molecules.

  2. The ISS Carcinogens Data Bank (BDC).

    Science.gov (United States)

    Binetti, Roberto; Ceccarelli, Federica; Costamagna, Francesca Marina; D'Angiolini, Antonella; Fabri, Alessandra; Ferri, Maurizio; Riva, Giovanni; Roazzi, Paolo; Trucchi, Daniela; Marcello, Ida

    2008-01-01

    The Data Bank on Carcinogens (Banca Dati Cancerogeni, BDC) is a factual data bank, available on the Istituto Superiore di Sanità website, aimed at supporting the risk management decision making of central and local administrators. It can also represent a valuable tool for industry. The available information on carcinogenicity evaluations/classifications produced by European Union and by other institutions (IARC, USEPA, NTP, CCTN) is presented in a concise form accompanied by bibliographic references enabling the users to consult the original sources and, in some cases, to be directly connected to the relevant website. The classifications carried out by each organization in accordance with its own criteria assign the examined agents to specific qualitative categories and do not include quantitative assessment. BDC intends to provide an easy tool for experts, researchers and risk managers dealing with carcinogenic agents.

  3. The carcinogenicity of certain derivatives of p-dimethylaminozobenz in the rat.

    Science.gov (United States)

    MILLER, J A; MILLER, E C

    1948-02-01

    1. Eighteen known or possible metabolites of the hepatic carcinogen 4- (or p-) dimethylaminoazobenzene were tested for carcinogenic activity in the rat. Of these compounds only 4-monomethylaminoazobenzene, a known metabolite, proved to be active. Eight compounds, which appear to be metabolites of the dye, were inactive; these included 4-aminoazobenzene, 4'-hydroxy-4-monomethylaminoazobenzene, 4'-hydroxy-4-aminoazobenzene, N-methyl-p-phenylenediamine, p-phenylenediamine, aniline, p-aminophenol, and o-aminophenol. Nine compounds which may possibly be metabolites also were inactive; these compounds were 4'-hydroxy-, 3'-hydroxy-, and 2'-hydroxy-4-dimethylaminoazobenzene, 4-formylaminoazobenzene, 4-hydroxyazobenzene, 2, 4'-diamino-5-dimethylaminodiphenyl, 3-dimethylaminocarbazole, N,N-dimethyl-p-phenylenediamine, and p-hydroquinone. A mixture of 9 known and possible metabolites was also found to be inactive. These data indicate that the primary carcinogen operative in tumor formation by 4-dimethylaminoazobenzene is probably an azo dye closely related to the parent carcinogen. This conclusion is supported by recent work from this laboratory which indicates that the primary carcinogen consists of either or both of the protein-bound dyes found in the liver, i.e. 4-monomethylaminoazobenzene and an unidentified polar aminoazo dye, and that the formation of bound dye constitutes one of the first steps in this carcinogenic process. 2. The carcinogenic activities of 19 other compounds related to 4-dimethyl-aminoazobenzene were tested to obtain more information on the structural features needed for a 4-aminoazo dye to possess strong activity in the rat. 3'-Methyl-4-monomethylaminoazobenzene and the corresponding dimethylamino derivative were nearly twice as active and 4-ethylmethylaminoazobenzene had the same activity as 4-dimethylaminoazobenzene. As tested 3'-nitro- and 3'-chloro-4-dimethylaminoazobenzene both had about the same activity as 4-dimethylaminoazobenzene; however

  4. Environmental exposure to human carcinogens in teenagers and the association with DNA damage

    DEFF Research Database (Denmark)

    Franken, Carmen; Koppen, Gudrun; Lambrechts, Nathalie

    2017-01-01

    Background We investigated whether human environmental exposure to chemicals that are labeled as (potential) carcinogens leads to increased (oxidative) damage to DNA in adolescents. Material and methods Six hundred 14–15-year-old youngsters were recruited all over Flanders (Belgium) and in two...... areas with important industrial activities. DNA damage was assessed by alkaline and formamidopyrimidine DNA glycosylase (Fpg) modified comet assays in peripheral blood cells and analysis of urinary 8-hydroxydeoxyguanosine (8-OHdG) levels. Personal exposure to potentially carcinogenic compounds...... was measured in urine, namely: chromium, cadmium, nickel, 1-hydroxypyrene as a proxy for exposure to other carcinogenic polycyclic aromatic hydrocarbons (PAHs), t,t-muconic acid as a metabolite of benzene, 2,5-dichlorophenol (2,5-DCP), organophosphate pesticide metabolites, and di(2-ethylhexyl) phthalate (DEHP...

  5. Advances in Synthesis and Application of Metal Phthalocyanine Compounds%酞菁金属化合物的合成与应用进展

    Institute of Scientific and Technical Information of China (English)

    程振华; 蔡婷婷; 陈际海; 周文博; 刘咸尚; 夏道宏

    2012-01-01

    综述了主要涉及铁、钴、镍、铜和锌等过渡金属元素的酞菁金属化合物的研究进展.在单核酞菁金属合成的基础上,目前主要研究双核及多核酞菁金属的合成方法.在酞菁金属的芳环上引人种类不同、数目不同的各种取代基,能大大改善酞菁金属化合物的物理及化学性能,为酞菁金属新材料的应用提供基础.开发酞菁金属化合物的绿色化学合成路线是今后的发展方向.%Research progresses in synthesis and application of metal phthalocyanine compounds, which mainly includes transition metals, namely Fe, Co, Ni, Cu and Zn, are introduced. The synthesis methods for dinuclear and polynuclear metal phthalocyanine compounds caught more attention now than that for uninuclear one. It is demonstrated that by the introduction of different kinds and different number of substituent groups to the aromatic rings of phthalocyanines, the physical and chemical properties of the metal phthalocyanine compounds are greatly changed, which is more favorable to the application of these new materials. The review points out that the development of the metal phthalocyanine compounds is trending towards green synthetic routes.

  6. Opportunities for an alternative integrating testing strategy for carcinogen hazard assessment?

    Science.gov (United States)

    Doktorova, Tatyana Y; Pauwels, Marleen; Vinken, Mathieu; Vanhaecke, Tamara; Rogiers, Vera

    2012-02-01

    The 2-year rodent carcinogenicity bioassay evolved more than 40 years ago, and although it is complex, long lasting, expensive, and animal consuming, it is still the only generally accepted test for assessing the carcinogenicity of chemicals. Over time, different alternative approaches have been developed with the final goal to replace the bioassay. Unfortunately, at present, none of these strategies alone provides sufficient assurance of accurate prediction. In this review paper, we discuss the major advantages and pitfalls of the existing alternative methodologies to the carcinogenicity bioassay. Finally, based on the available scientific data in the public domain, we propose what we would like to call a "feasible integrated testing strategy" which incorporates some promising alternatives, providing at the same time information on the mechanism of action and the toxic nature of the compounds tested. It is, however, clear that the adoption of whatever "new" testing scheme should be considered with caution and its effectiveness should be experimentally demonstrated in advance by addressing a reasonable number of chemical carcinogens and non-carcinogens from a variety of structural and functional classes.

  7. Chemical carcinogenic and mutagenic agents in the workplace, Poland, 2008–2010

    Directory of Open Access Journals (Sweden)

    Katarzyna Konieczko

    2013-04-01

    Full Text Available Background: The aim of this paper is to present a concise but comprehensive information on the occurrence of carcinogenic or mutagenic agents in Polish enterprises and the number of workers exposed to those agents reported to the central register by employers. Objectives and responsibilities of the register, as well as the range and methods of data gathering are discussed. Material and Methods: Data concerning carcinogenic or mutagenic chemical substances and technological processes reported to central register in 2008-2010 were analyzed. Results: In 2008-2010 more than 300 carcinogenic or mutagenic chemical substances were reported to the register. Approximately 2500 plants reported above 150 000 per-person-exposures annually. Among all technological processes regarded as occupational carcinogens, hardwood dusts exposure (about 660 companies; 11 000-13 000 exposed workers each year and exposure to polycyclic aromatic hydrocarbons (PAHs present in coal products (117-125 plantsl 3000 exposed per year were reported. Conclusions: The most widespread carcinogenic/mutagenic substances were: benzene, chromium(VI compounds: potassium dichromate and chromate, chromium(VI trioxide and other chromium compounds, ethylene oxide, asbestos, benzo[a]pyrene and gasoline. The highest number of men was exposed to particular PAHs and benzene , and the majority of women was exposed to benzene, potassium dichromate and chromate, acrylamide, ethylene oxide and gasoline. The lack of clear-cut definitione of occupational exposure to carcinogen creates a problem faced by employers in defining the accurate number of exposed workers. Med Pr 2013;64(2:181–192

  8. Electrochemical sensing carcinogens in beverages

    CERN Document Server

    Zia, Asif Iqbal

    2016-01-01

    This book describes a robust, low-cost electrochemical sensing system that is able to detect hormones and phthalates – the most ubiquitous endocrine disruptor compounds – in beverages and is sufficiently flexible to be readily coupled with any existing chemical or biochemical sensing system. A novel type of silicon substrate-based smart interdigital transducer, developed using MEMS semiconductor fabrication technology, is employed in conjunction with electrochemical impedance spectroscopy to allow real-time detection and analysis. Furthermore, the presented interdigital capacitive sensor design offers a sufficient penetration depth of the fringing electric field to permit bulk sample testing. The authors address all aspects of the development of the system and fully explain its benefits. The book will be of wide interest to engineers, scientists, and researchers working in the fields of physical electrochemistry and biochemistry at the undergraduate, postgraduate, and research levels. It will also be high...

  9. Site specific X-ray induced changes in organic and metal organic compounds and their influence on global radiation damage

    Energy Technology Data Exchange (ETDEWEB)

    Heintz, Desiree Ellen

    2012-07-15

    The aim of this work was to systematically investigate the effects of specific and global X-ray radiation damage to biological samples and obtain a conclusive model to describe the underlying principles. Based on the systematic studies performed in this work, it was possible to propose two conclusive mechanisms to describe X-ray induced photoreduction and global radiation damage. The influence of chemical composition, temperature and solvent on X-ray induced photoreduction was investigated by X-ray Absorption Near Edge Spectroscopy and single crystal X-ray diffraction of two B12 cofactors - cyano- and methylcobalamin - as well as iron(II) and iron(III) complexes. The obtained results revealed that X-ray induced photoreduction is a ligand dependent process, with a redox reaction taking place within the complex. It could further be shown that selective hydrogen abstraction plays an important role in the process of X-ray induced photoreduction. Based on the experimental results of this work, a model to describe X-ray induced photoreduction of metal organic complexes could be proposed. The process of X-ray induced hydrogen abstraction was further investigated in a combined X-ray and neutron diffraction study on the amino acids L-serine and L-alanine, which were used as model compounds for proteins, and the nucleoside deoxythymidine (thymidine) as a model for DNA. A damage mechanism for L-serine could be found. It involves the abstraction of two hydrogen atoms, one from the hydroxyl group and one from the adjacent methylene group. Such a hydrogen abstraction results in the formation of a carbonyl group. X-ray diffraction measurements on cyano- and methylcobalamin as well as on three metal amino acid complexes, containing nickel(II) and copper(II), respectively, were conducted to investigate the contribution of X-ray induced photoreduction to global radiation damage. Results from these measurements combined with the results from L-serine, L-alanine and thymidine allowed

  10. Prediction of the carcinogenic potential of human pharmaceuticals using repeated dose toxicity data and their pharmacological properties

    Directory of Open Access Journals (Sweden)

    Jan Willem Van Der Laan

    2016-10-01

    Full Text Available In an exercise designed to reduce animal use, we analysed the results of rat sub-chronic toxicity studies from 289 pharmaceutical compounds with the aim to predict the tumour outcome of carcinogenicity studies in this species. The results were obtained from the assessment reports available at the Medicines Evaluation Board of the Netherlands for 289 pharmaceutical compounds that had been shown to be non-genotoxic. One hundred and forty-three of the 239 compounds not inducing putative preneoplastic lesions in the sub-chronic study did not induce tumours in the carcinogenicity study (True Negatives - TN, whereas 96 compounds were categorised as False Negatives (FN, because tumours were observed in the carcinogenicity study. For the remaining 50 compounds, 31 showed preneoplastic lesions in the subchronic study and tumours in the carcinogenicity study (True positives - TP, and 19 only showed preneoplastic lesions in subchronic studies but no tumours in the carcinogenicity study (False positives - FP. In addition, we then re-assessed the prediction of the tumour outcome by integrating the pharmacological properties of these compounds. These pharmacological properties were evaluated with respect to the presence or absence of a direct or indirect proliferative action. We found support for the absence of cellular proliferation for 204 compounds (TN. For 67 compounds the presence of cellular hyperplasia as evidence for proliferative action could be found (TP. Therefore, this approach resulted in an ability to predict non-carcinogens at a success rate of 92 % and the ability to detect carcinogens at 98 %. The combined evaluation of pharmacological and histopathological endpoints eventually led to only 18 unknown outcomes (17 categorised as FN. 1 as FP, thereby enhancing both the negative and positive predictivity of an evaluation based upon histopathological evaluation only. The data show the added value of a consideration of the pharmacological

  11. Formaldehyde in dentistry: a review of mutagenic and carcinogenic potential

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, B.B.; Chestner, S.B.

    1981-09-01

    For many years there has been controversy over the value of antimicrobial drugs for intracanal dressings in endodontics. Formocresol, a formaldehyde compound, has evolved as the preferred drug for routine endodontic procedures, as well as pediatric endodontics. The increase in the use of formaldehyde has been complicated by the introduction of paraformaldehyde pastes for filling root canals. Neither of these formulas has ever been standardized. The doses are arbitrary, and the common dose of formocresol has been shown to be many times greater than the minimum dose needed for effect. The efficacy of paraformaldehyde pastes is questionable and remains clouded by inconclusive evidence, conflicting research, inadequate terminology, and a lack of convincing statistical evidence. The clinical use and delivery of formocresol and paraformaldehyde pastes remain arbitrary and unscientific. Formaldehyde has a known toxic mutagenic and carcinogenic potential. Many investigations have been conducted to measure the risk of exposure to formaldehyde; it is clear that formaldehyde poses a carcinogenic risk in humans. There is a need to reevaluate the rationale underlying the use of formaldehyde in dentistry particularly in light of its deleterious effects.

  12. 40 CFR 799.9420 - TSCA carcinogenicity.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 31 2010-07-01 2010-07-01 true TSCA carcinogenicity. 799.9420 Section 799.9420 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES... their selection. (ii) Age/weight. (A) Testing shall be started with young healthy animals as soon...

  13. Human exposure to carcinogens in ambient air in Denmark, Finland and Sweden

    Science.gov (United States)

    Fauser, P.; Ketzel, M.; Becker, T.; Plejdrup, M. S.; Brandt, J.; Gidhagen, L.; Omstedt, G.; Skårman, T.; Bartonova, A.; Schwarze, P.; Karvosenoja, N.; Paunu, V.-V.; Kukkonen, J.; Karppinen, A.

    2017-10-01

    The concentrations of seventeen pollutants (particulate mass fractions PM2.5 and PM10, a range of metals, inorganic gases and organic compounds) are for the first time analyzed in a screening of the carcinogenic risk at a resolution of 1 × 1 km2 in ambient air in three Nordic countries. Modelled annual mean air concentrations in 2010 show no exceedances of the EU air quality limit, guideline or target values. The only modelled exceedance of US-EPA 1:100,000 cancer risk concentrations (0.12 ng/m3, US-EPA IRIS, 2015) occurs for B(a)P in Denmark, for approximately 80% of the Danish population. However, the EU target value threshold of 1 ng/m3 for B(a)P is not exceeded in the modelled values in any parts of Denmark. No emission data for B(a)P were available for the whole domain of the other two considered Nordic countries and important uncertainties are still related to the emissions. Long-range transport is significant for the concentrations of all of the considered pollutants, except for B(a)P that commonly originates mostly from local residential wood combustion. The ambient air concentrations of NOx, SO2, Cd, Cr and Pb also have significant contributions from national sources; 45-65% for NOx and SO2, and for the metals from 15 to 60% in urban areas and from 1 to 20% in rural areas, within the considered Nordic area. High national contributions occur especially in urban air, due to primarily road traffic, residential wood combustion, energy production and industrial point sources. It is recommended to monitor the influence from residential wood combustion more extensively, and to analyze longer time trends for long-term human exposure.

  14. Genotoxicity and carcinogenicity of cobalt-, nickel- and copper-based nanoparticles

    Science.gov (United States)

    MAGAYE, RUTH; ZHAO, JINSHUN; BOWMAN, LINDA; DING, MIN

    2012-01-01

    The nanotechnology industry has matured and expanded at a rapid pace in the last decade, leading to the research and development of nanomaterials with enormous potential. The largest source of these nanomaterials is the transitional metals. It has been revealed that numerous properties of these nano-sized elements are not present in their bulk states. The nano size of these particles means they are easily transported into biological systems, thus, raising the question of their effects on the susceptible systems. Although advances have been made and insights have been gained on the effect of transitional metals on susceptible biological systems, there still is much ground to be covered, particularly with respect to our knowledge on the genotoxic and carcinogenic effects. Therefore, this review intends to summarize the current knowledge on the genotoxic and carcinogenic potential of cobalt-, nickel- and copper-based nanoparticles indicated in in vitro and in vivo mammalian studies. In the present review, we briefly state the sources, use and exposure routes of these nanoparticles and summarize the current literature findings on their in vivo and in vitro genotoxic and carcinogenic effects. Due to the increasing evidence of their role in carcinogenicity, we have also included studies that have reported epigenetic factors, such as abnormal apoptosis, enhanced oxidative stress and pro-inflammatory effects involving these nanoparticles. PMID:23170105

  15. In situ growth of monodispersed Fe3O4 nanoparticles on graphene for the removal of heavy metals and aromatic compounds.

    Science.gov (United States)

    Wu, Hai-Xia; Wu, Jia-Wei; Niu, Zhi-Gang; Shang, Xiu-Li; Jin, Jun

    2013-01-01

    We report on the efficient removal of heavy metal ions and aromatic compounds from simulated wastewater with a nanocomposite. The nanocomposite was obtained via thermal decomposition of the precursor Fe(acac)3 onto the surface of graphene, modified by diethylenetriamine pentaacetic anhydride through dopamine. It was found that the maximum adsorption capacity of the nanocomposite toward Cu(2+) and naphthalene was 207.9 and 72.2 mg g(-1) respectively, displaying a high efficiency for the removal of heavy metal ions as well as aromatic compounds at pH 7.0 and 293 K. The Langmuir for naphthalene and the Freundlich for the Cu(2+) adsorption isotherms were applicable for describing the removal processes. Furthermore, the nanocomposite was carefully examined by transmission electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectra, and UV-vis spectroscopy. This work provides a very efficient, fast and convenient approach to exploring a promising nanocomposite for water treatment.

  16. Data on occurrence of selected trace metals, organochlorines, and semivolatile organic compounds in edible fish tissues from Lake Worth, Fort Worth, Texas, 1999

    Science.gov (United States)

    Moring, J. Bruce

    2002-01-01

    A public-health assessment conducted for the Texas Department of Health and the Agency for Toxic Substances and Disease Registry concluded that exposure to contaminants through the aquatic food chain is an indeterminate human-health hazard in Lake Worth, Fort Worth, Texas. In 1999, the U.S. Geological Survey, in cooperation with the U.S. Air Force and in collaboration with the Texas Department of Health, collected samples of edible fish tissues from Lake Worth for analysis of selected trace metals, organochlorines, and semivolatile organic compounds to support a human-health risk assessment. Left-side, skin-off fillet samples were collected from 10 individuals each of channel catfish, common carp, freshwater drum (gaspergou), largemouth bass, and white crappie but only from five smallmouth buffalo. The U.S. Geological Survey National Water Quality Laboratory analyzed the samples for 22 trace metals, 40 organochlorine pesticides and polychlorinated biphenyls, and 75 semivolatile organic compounds.

  17. Performance of metal compound on thermolysis and electrolysis on sugar industries waste water treatment: COD and color removal with sludge analysis (batch-experiment)

    Science.gov (United States)

    Sahu, Omprakash

    2016-06-01

    The sugar cane industry is one of the most water demanding industries. Sugar industries consume and generate excess amount of water. The generated water contains organic compounds, which would cause pollution. The aim of this research work is to study the effectiveness of metal compound for treatment of sugar industry waste water by thermolysis and electrolysis process. The result shows ferrous metal catalyst shows 80 and 85 % chemical oxygen demand and color removal at pH 6, optimum mass loading 4 kg/m3, treatment temperature 85 °C and treatment time 9 h. When ferrous material was used as electrode, maximum 81 % chemical oxygen demand and 84 % color removal at pH 6, current density 156 Am-2, treatment time 120 min and anode consumption 0.7 g for 1.5 L wastewater were obtained.

  18. Geochemical investigations into the retention of reactive carbon compounds for toxic heavy metals. Final report; Geochemische Untersuchungen zur Retention von reaktiven Kohlenstoffverbindungen fuer toxische Schwermetalle. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Kupsch, H.; Mansel, A.; Crustewitz, C.

    2003-03-01

    The composition, reactivity and stability of reactive organic carbon compounds adsorbed on geogenic matrices was investigated. The surface deposits of NOM and its dependence on geochemical parameters was investigated in selected geomatrices. The retention of toxic heavy metals on these surface deposits of NOM was investigated in consideration of the presence of hydroxy species and inorganic ligands. The investigations of the reactivity of the NOM species requires analyses of these compounds and of the heavy metals in the ultratracer region. This was possible by means of radiochemical methods that were further developed in the context of this project. Radioactive labeling of identified reactive carbon compounds, e.g. with radioactive iodine, on the one hand, and the use of radioactive Cu, Pb, Hg isotopes on the other hand enabled speciation analyses in the binary systems (heavy metal + geomatrix, heavy metal + reactive carbon compounds, reactive carbon compounds + geomatrix) and especially in the ternary system (heavy metal + geomatrix + reactive carbon compounds) in defined conditions. The special labelling techniques were a precondition for distribution measurements in the near-natural, low concentration range. (orig.) [German] Ziel des Projektes war es, mit der vorhandenen Analytik und Expertise die Zusammensetzung, die Reaktivitaet und die Stabilitaet der auf den geogenen Matrizes sorbierten reaktiven organischen Kohlenstoffverbindungen und die damit verbundenen Stoffumsaetze aufzuklaeren. An ausgewaehlten Geomatrizes wurde die Ausbildung von Oberflaechendepositen des NOM und deren Abhaengigkeit gegenueber geochemischen Parametern untersucht. Unter der Beruecksichtigung der Gegenwart von Hydroxyspezies und anorganischen Liganden wurde die Retention toxischer Schwermetalle an diesen Oberflaechendepositen des NOM untersucht. Die Untersuchungen zur Reaktivitaet der NOM-Spezies setzt eine Analytik dieser Verbindungen und der Schwermetalle im Ultraspurenbereich

  19. Transition metal-free oxidation of benzylic alcohols to carbonyl compounds by hydrogen peroxide in the presence of acidic silica gel

    Directory of Open Access Journals (Sweden)

    Hossein Ghafuri

    2015-01-01

    Full Text Available Oxidation of alcohols to carbonyl compounds has become an important issue in the process industry as well as many other applications. In this method, various benzylic alcohols were successfully converted to corresponding aldehydes and ketones under transition metal-free condition using hydrogen peroxide in the presence of some amount of catalytic acidic silica gel. Silica gel is inexpensive and available. One of the most important features of this method is its short reaction time.

  20. Testing their metal.

    OpenAIRE

    Fisher, B. E.

    1999-01-01

    Metals continually rank at the top of the U.S. Environmental Protection Agency's annual list of agents that pose the greatest hazard to the people of the United States. Metals aren't going away, either. They do not biodegrade, and they often concentrate in human and animal cells and tissue. Many metals are known human and animal carcinogens, while many others are suspected to play a role in cancer. Little is known, however, about the mechanisms by which metals cause cancer.

  1. Evaluation of the Inhalation Carcinogenicity of Ethylene Oxide (Final Report)

    Science.gov (United States)

    EPA has finalized its Evaluation of the Inhalation Carcinogenicity of Ethylene Oxide. This assessment addresses the potential carcinogenicity from long-term inhalation exposure to ethylene oxide. Now final, this assessment updates the carcinogenicity information in EPA’s 1985 Hea...

  2. Crystal structure and physical properties of new transition metal based pnictide compounds: LaTM2AsN (TM = Fe, Co, and Ni)

    Science.gov (United States)

    Jeong, Sehoon; Matsuishi, Satoru; Bang, Joonho; Hosono, Hideo

    2015-04-01

    New 3d transition metal-based mixed-pnictide compounds, LaTM2AsN (TM = Fe, Co, and Ni) are synthesized by solid state reactions under a high pressure of 2.5 GPa. These compounds crystallize with an orthorhombic structure (space group Cmcm) containing four formula units per unit cell. The crystal structure consists of an anisotropic network of TMAs3N tetrahedra sharing As-As edges along the in-plane ac direction and N corners along the b-direction, forming a TM honeycomb lattice with a boat-shape conformation bridged by TM-N-TM linear bonds. The temperature dependences of the electrical resistivity and magnetic susceptibility indicate that these crystals are itinerant antiferromagnets exhibiting parasitic ferromagnetism with transition temperatures of 560, 260, and 410 K for TM = Fe, Co, and Ni, respectively. These compounds are expected to be parent materials for new superconductors.

  3. First-Principles Prediction of Electronic, Magnetic, and Optical Properties of Co2MnAs Full-Heusler Half-Metallic Compound

    Science.gov (United States)

    Bakhshayeshi, A.; Sarmazdeh, M. Majidiyan; Mendi, R. Taghavi; Boochani, A.

    2016-12-01

    Electronic, magnetic, and optical properties of Co2MnAs full-Heusler compound have been calculated using a first-principles approach with the full-potential linearized augmented plane-wave (FP-LAPW) method and generalized gradient approximation plus U (GGA + U). The results are compared with various properties of Co2MnZ (Z = Si, Ge, Al, Ga, Sn) full-Heusler compounds. The results of our calculations show that Co2MnAs is a half-metallic ferromagnetic compound with 100% spin polarization at the Fermi level. The total magnetic moment and half-metallic gap of Co2MnAs compound are found to be 6.00μ B and 0.43 eV, respectively. It is also predicted that the spin-wave stiffness constant and Curie temperature of Co2MnAs compound are about 3.99 meV nm2 and 1109 K, respectively. The optical results show that the dominant behavior, at energy below 2 eV, is due to interactions of free electrons in the system. Interband optical transitions have been calculated based on the imaginary part of the dielectric function and analysis of critical points in the second energy derivative of the dielectric function. The results show that there is more than one plasmon energy for Co2MnAs compound, with the highest occurring at 25 eV. Also, the refractive index variations and optical reflectivity for radiation at normal incidence are calculated for Co2MnAs. Because of its high magnetic moment, high Curie temperature, and 100% spin polarization at the Fermi level as well as its optical properties, Co2MnAs is a good candidate for use in spintronic components and magnetooptical devices.

  4. Carcinogenicity of consumption of red and processed meat: What about environmental contaminants?

    Science.gov (United States)

    Domingo, José L; Nadal, Martí

    2016-02-01

    In October 26, 2015, the International Agency for Research on Cancer (IARC) issued a press release informing of the recent evaluation of the carcinogenicity of red and processed meat consumption. The consumption of red meat and processed meat was classified as "probably carcinogenic to humans", and as "carcinogenic to humans", respectively. The substances responsible of this potential carcinogenicity would be generated during meat processing, such as curing and smoking, or when meat is heated at high temperatures (N-nitroso-compounds, polycyclic aromatic hydrocarbons and heterocyclic aromatic amines). However, in its assessments, the IARC did not make any reference to the role that may pose some carcinogenic environmental pollutants, which are already present in raw or unprocessed meat. The potential role of a number of environmental chemical contaminants (toxic trace elements, polycyclic aromatic hydrocarbons, polychlorinated dibenzo-p-dioxins and dibenzofurans, polychlorinated biphenyls, polybrominated diphenyl ethers, polychlorinated diphenyl ethers, polychlorinated naphthalenes and perfluoroalkyl substances) on the carcinogenicity of consumption of meat and meat products is discussed in this paper. A case-study, Catalonia (Spain), is specifically assessed, while the influence of cooking on the concentrations of environmental pollutants is also reviewed. It is concluded that although certain cooking processes could modify the levels of chemical contaminants in food, the influence of cooking on the pollutant concentrations depends not only on the particular cooking process, but even more on their original contents in each specific food item. As most of these environmental pollutants are organic, cooking procedures that release or remove fat from the meat should tend to reduce the total concentrations of these contaminants in the cooked meat. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Metal coordination chemistry: removal and recovery of metal compounds from heavy crude and shale oils with multidentate ligands. Annual report, October 1981-October 1982

    Energy Technology Data Exchange (ETDEWEB)

    Fish, R.H.

    1982-01-01

    The separation and identification by HPLC-GFAA analysis of organic and organoarsenic compounds occurring in oil shale retort and process waters, shale oils and Green River Formation oil shale are described in this report. The molecular characterization of these compounds has given new insight into developing innovative methods for their removal from oil shale retorting products. Catechol (1,2-dihydrocylbenzene) derivatives of both inorganic and organoarsenic compounds may in fact provide the means by which these compounds can be successfully removed from the above mentioned retort products. In addition to model compounds experiments with catechols and characterized inorganic arsenic and organoarsenic compounds, we have also synthesized a polymer that was modified with catechol and are in the process of determining its reactivity with the characterized arsenic compounds. Progress in preparing these catechol-bonded polymers is discussed. In a complimentary study, we have performed molecular characterizations and profile identifications of vanadyl porphyrin and non-porphyrin complexes in various heavy crude petroleums and their asphaltenes by HPLC-GFAA analysis. Results are discussed. (DMC)

  6. RADON AND CARCINOGENIC RISK IN MOSCOW

    Directory of Open Access Journals (Sweden)

    S. M. Golovanev

    2015-01-01

    Full Text Available Objective: comparative evaluation of carcinogenic risk inMoscowfrom radon in indoor and atmospheric pollutants.Materials and methods: the lung cancer incidence in Moscow; radiation-hygienic passport of the territory; .U.S. EPA estimated average age at all and radon induced deaths, years of life lost; Report of UNSCEAR 2006 and WHO handbook on indoor radon, 2009. Trend analysis of incidence; evaluation of the excess relative risk; assessment of ratio radon-induced population risk and published values оf total population carcinogenic risk from chemical carcinogens.Results: it is shown that the 304 cases of lung cancer per year (1. 85 10-3 on average from 2006 to 2011 (21280diseases for 70 years in addition to background level induced by radon; the differences in average trends of all lungcancer incidence in the districts can exceed 25%.Conclusion. The potential of risk reduction by measures of mitigation radon concentration exceeds 5 times the cost efficiency to reduce emissions from vehicles and can reduce cancer incidence, on average 236 cases per year; population risk 16520 cases over 70 years or save not less than 2832 person-years of life per year. The annual effect of reducing losses from not-survival of 12 years as a result of radon-induced lung cancer deaths exceeds 14160000 dollars. The evaluating of the carcinogenic risk from radon in accordance with the definition of population risk increases the predictive evaluation of the effectiveness of preventive measures more than twice.

  7. [Carcinogenic activity of the pesticide propoxur].

    Science.gov (United States)

    Pylev, L N; Vasil'eva, L A; Smirnova, O V; Khrustalev, S A; Trukhina, G M

    2010-01-01

    Wistar rats were fed propoxur in their diet at 0, 500, 3000, and 8000 ppm during throughout their life. The number of tumors was equal in the control and experimental groups. These were hemoblastoses and breast and uterine tumors. All tumors occurred spontaneously in the rats. A few experimental animals were found to have bladder epithelial hyperplasia that might be pretumorous; however, no bladder tumors were detected. It is concluded that the investigations revealed no carcinogenic activity of propoxur.

  8. Report on carcinogens monograph on 1-bromopropane.

    Science.gov (United States)

    2013-09-01

    The National Toxicology Program conducted a cancer evaluation on 1 bromopropane for possible listing in the Report on Carcinogens (RoC). The cancer evaluation is captured in the RoC monograph, which was peer reviewed in a public forum. The monograph consists of two components: (Part 1) the cancer evaluation, which reviews the relevant scientific information, assesses its quality, applies the RoC listing criteria to the scientific information, and provides the NTP recommendation for listing status for 1 bromopropane in the RoC, and (Part 2) the substance profile proposed for the RoC, containing the NTP's listing status recommendation, a summary of the scientific evidence considered key to reaching that decision, and data on properties, use, production, exposure, and Federal regulations and guidelines to reduce exposure to 1-bromopropane. This monograph provides an assessment of the available scientific information on 1 bromopropane, including human exposure and properties, disposition and toxicokinetics, cancer studies in experimental animals, and studies of mechanisms and other related effects, including relevant toxicological effects, genetic toxicology, and mechanisms of carcinogenicity. From this assessment, the NTP recommended that 1 bromopropane be listed as reasonably anticipated to be a human carcinogen in the RoC based on sufficient evidence from studies in experimental animals, which found inhalation exposure to 1-bromopropane caused skin tumors in male rats, large intestine tumors in female and male rats, and lung tumors in female mice. Also noted was that 1 bromopropane, either directly or via reactive metabolites, caused molecular alterations that typically are associated with carcinogenesis, including genotoxicity, oxidative stress, and glutathione depletion. These alterations, observed in mainly in vitro and toxicity studies in rodents, are relevant to possible mechanisms of human carcinogenicity and support the relevance of the cancer studies in

  9. Occupational exposures to carcinogens in Italy: an update of CAREX database.

    Science.gov (United States)

    Mirabelli, Dario; Kauppinen, Timo

    2005-01-01

    To update estimates of the prevalence of occupational exposures to carcinogens in Italy, the 85 CAREX agents were re-assessed. The original exposure estimates in the CAREX database were updated, taking into account changes in exposure patterns and in numbers of employees by industrial class. The 21.8 million employees in Italy, 19.4 in industry and services, 2.4 in agriculture, had 4.2 million exposures. Prevalences of exposures were highest for environmental (passive) tobacco smoke (800,000 exposures), solar radiation (700,000), diesel engine exhaust (500,000), wood dust (280,000), silica (250,000), lead and inorganic lead compounds (230,000), benzene (180 000), hexavalent chromium compounds (160,000), glass wool (140,000), and PAHs (120,000). Exposures to carcinogens at work are still an issue in Italy and do not appear to be controlled as strictly as they should be.

  10. Metal complexes of ONO donor Schiff base ligand as a new class of bioactive compounds: synthesis, characterization and biological evolution.

    Science.gov (United States)

    Kumar Naik, K H; Selvaraj, S; Naik, Nagaraja

    2014-10-15

    Present work reviews that, the synthesis of (E)-N'-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide [L] ligand and their metal complexes. The colored complexes were prepared of type [M(2+)L]X2, where M(2+)=Mn, Co, Ni, Cu, Sr and Cd, L=(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide, X=Cl(-). Ligand derived from the condensation of 8-formyl-7-hydroxy-4-methylcoumarin and benzohydrazide in the molar ratio 1:1 and in the molar ratio 1:2 for metal complexes have been prepared. The chelation of the ligand to metal ions occurs through the both oxygen groups, as well as the nitrogen atoms of the azomethine group of the ligand. Reactions of the Schiff base ligand with Manganese(II), Cobalt(II), Nickel(II), Copper(II), Strontium(II), and Cadmium(II) afforded the corresponding metal complexes. The structures of the obtained ligand and their respective metal complexes were elucidated by infra-red, elemental analysis, Double beam UV-visible spectra, conductometric measurements, magnetic susceptibility measurements and also thermochemical studies. The metal complex exhibits octahedral coordination geometrical arrangement. Schiff base ligand and their metal complexes were tested against antioxidants, antidiabetic and antimicrobial activities have been studied. The Schiff base metal complexes emerges effective α-glucosidase inhibitory activity than free Schiff base ligand.

  11. Metal complexes of ONO donor Schiff base ligand as a new class of bioactive compounds; Synthesis, characterization and biological evolution

    Science.gov (United States)

    Kumar Naik, K. H.; Selvaraj, S.; Naik, Nagaraja

    2014-10-01

    Present work reviews that, the synthesis of (E)-N";-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide [L] ligand and their metal complexes. The colored complexes were prepared of type [M2+L]X2, where M2+ = Mn, Co, Ni, Cu, Sr and Cd, L = (7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzohydrazide, X = Cl-. Ligand derived from the condensation of 8-formyl-7-hydroxy-4-methylcoumarin and benzohydrazide in the molar ratio 1:1 and in the molar ratio 1:2 for metal complexes have been prepared. The chelation of the ligand to metal ions occurs through the both oxygen groups, as well as the nitrogen atoms of the azomethine group of the ligand. Reactions of the Schiff base ligand with Manganese(II), Cobalt(II), Nickel(II), Copper(II), Strontium(II), and Cadmium(II) afforded the corresponding metal complexes. The structures of the obtained ligand and their respective metal complexes were elucidated by infra-red, elemental analysis, Double beam UV-visible spectra, conductometric measurements, magnetic susceptibility measurements and also thermochemical studies. The metal complex exhibits octahedral coordination geometrical arrangement. Schiff base ligand and their metal complexes were tested against antioxidants, antidiabetic and antimicrobial activities have been studied. The Schiff base metal complexes emerges effective α-glucosidase inhibitory activity than free Schiff base ligand.

  12. Genotoxicity and carcinogenicity risk of carbon nanotubes.

    Science.gov (United States)

    Toyokuni, Shinya

    2013-12-01

    Novel materials are often commercialized without a complete assessment of the risks they pose to human health because such assessments are costly and time-consuming; additionally, sometimes the methodology needed for such an assessment does not exist. Carbon nanotubes have the potential for widespread application in engineering, materials science and medicine. However, due to the needle-like shape and high durability of multiwalled carbon nanotubes (MWCNTs), concerns have been raised that they may induce asbestos-like pathogenicity when inhaled. Indeed, experiments in rodents supported this hypothesis. Notably, the genetic alterations in MWCNT-induced rat malignant mesothelioma were similar to those induced by asbestos. Single-walled CNTs (SWCNTs) cause mitotic disturbances in cultured cells, but thus far, there has been no report that SWCNTs are carcinogenic. This review summarizes the recent noteworthy publications on the genotoxicity and carcinogenicity of CNTs and explains the possible molecular mechanisms responsible for this carcinogenicity. The nanoscale size and needle-like rigid structure of CNTs appear to be associated with their pathogenicity in mammalian cells, where carbon atoms are major components in the backbone of many biomolecules. Publishing adverse events associated with novel materials is critically important for alerting people exposed to such materials. CNTs still have a bright future with superb economic and medical merits. However, appropriate regulation of the production, distribution and secondary manufacturing processes is required, at least to protect the workers.

  13. The evolving definition of carcinogenic human papillomavirus

    Directory of Open Access Journals (Sweden)

    Castle Philip E

    2009-05-01

    Full Text Available Abstract Thirteen human papillomavirus (HPV genotypes have been judged to be carcinogenic or probably carcinogenic, and the cause of virtually all cervical cancer worldwide. Other HPV genotypes could possibly be involved. Although the inclusion of possibly carcinogenic HPV genotypes may hurt test specificity, it may indirectly increase the reassurance following a negative HPV test (i.e. the negative predictive value of an HPV test for cervical precancer and cancer. The future of cervical cancer screening in low-resource setting, however, may include once-in-a-lifetime, low-cost and rapid HPV testing. However, the tradeoff of more false positives for greater reassurance may not be acceptable if the local infrastructure cannot manage the screen positives. Now is the time for the community of scientists, doctors, and public health advocates to use the data presented at the 100th International Agency for Research on Cancer monograph meeting to rationally decide the target HPV genotypes for the next generation of HPV tests for use in high-resource and low-resource settings. The implications of including possibly HPV genotypes on HPV test performance, also for guidance on the use of these tests for cervical cancer prevention programs, are discussed.

  14. Onset of itinerant ferromagnetism associated with semiconductor-metal transition in TiNb1-CoSn half Heusler solid solution compounds

    Indian Academy of Sciences (India)

    M A Kouacou; A A Koua; J T Zoueu; K Konan; J Pierre

    2008-07-01

    In this paper, the magnetic and transport properties of the TiNb1−CoSn solid solution compounds with half Heusler cubic MgAgAs-type structure have been studied. This work shows the onset of ferromagnetism associated with a semiconductor to metal transition. The transition occurs directly from ferromagnetic metal to semiconducting state as it is the case in the TiCoNi1−Sn series studied previously. A weak quantity of Ti in NbCoSn is sufficient to allow the appearance of ferromagnetic order and metallic state. The variations of the Curie temperature as a function of saturation and effective paramagnetic moments are related to the itinerant ferromagnetism model. A comparison is made with the TiCoSnSb1− series (also studied previously), where the transition from TiCoSn ferromagnetic metal to non-magnetic semiconductor TiCoSb occurs through an intermediate metallic Pauli-like state.

  15. Human bronchus-mediated mutagenesis of mammalian cells by carcinogenic polycyclic aromatic hydrocarbon

    DEFF Research Database (Denmark)

    1978-01-01

    was found in Chinese hamster V-79 cells when they were cocultivated with bronchial explants in the presence of BzaP. The proximate carcinogenic form of BzaP, the 7,8-diol [(+/-)-r7,t8-dihyroxy-7,8-dihydrobenzo[a]pyrene], was 5-fold more potent as a promutagen than the parent compound. Neither BzaP nor the 7...

  16. Mutagenicity, carcinogenicity, and teratogenicity of acrylonitrile.

    Science.gov (United States)

    Léonard, A; Gerber, G B; Stecca, C; Rueff, J; Borba, H; Farmer, P B; Sram, R J; Czeizel, A E; Kalina, I

    1999-05-01

    Acrylonitrile (AN) is an important intermediary for the synthesis of a variety of organic products, such as artificial fibres, household articles and resins. Although acute effects are the primary concern for an exposure to AN, potential genotoxic, carcinogenic and teratogenic risks of AN have to be taken seriously in view of the large number of workers employed in such industries and the world-wide population using products containing and possibly liberating AN. An understanding of the effect of acrylonitrile must be based on a characterization of its metabolism as well as of the resulting products and their genotoxic properties. Tests for mutagenicity in bacteria have in general been positive, those in plants and on unscheduled DNA synthesis doubtful, and those on chromosome aberrations in vivo negative. Wherever positive results had been obtained, metabolic activation of AN appeared to be a prerequisite. The extent to which such mutagenic effects are significant in man depends, however, also on the conditions of exposure. It appears from the limited data that the ultimate mutagenic factor(s), such as 2-cyanoethylene oxide, may have little opportunity to act under conditions where people are exposed because it is formed only in small amounts and is rapidly degraded. The carcinogenic action of AN has been evaluated by various agencies and ranged from 'reasonably be anticipated to be a human carcinogen' to 'cannot be excluded', the most recent evaluation being 'possibly carcinogenic to humans'. Animal data that confirm the carcinogenic potential of AN have certain limitations with respect to the choice of species, type of tumors and length of follow up. Epidemiological studies which sometimes, but not always, yielded positive results, encounter the usual difficulties of confounding factors in chemical industries. Exposure of workers to AN should continue to be carefully monitored, but AN would not have to be considered a cancer risk to the population provided

  17. Design and syntheses of electron-transfer photochromic metal-organic complexes using nonphotochromic ligands: a model compound and the roles of its ligands.

    Science.gov (United States)

    Zhang, Cui-Juan; Chen, Zi-Wei; Lin, Rong-Guang; Zhang, Ming-Jian; Li, Pei-Xin; Wang, Ming-Sheng; Guo, Guo-Cong

    2014-01-21

    The model compound [Zn(HCOO)2(4,4'-bipy)] (1; 4,4'-bipy = 4,4'-bipyridine) is selected in this work to demonstrate the effectiveness of our previously proposed design strategy for electron-transfer photochromic metal-organic complexes. The electron-transfer photochromic behavior of 1 has been discovered for the first time. Experimental and theoretical data illustrate that the photochromism of 1 can be attributed to the electron transfer from formato to 4,4'-bipy and the formation of a radical photoproduct. The electron transfer prefers to occur between formato and 4,4'-bipy, which are combined directly by the Zn(II) atoms. A high-contrast (up to 8.3 times) photoluminescence switch occurs during the photochromic process. The similarity of photochromic behaviors among 1 and its analogues as well as viologen compounds has also been found. Photochromic studies of this model compound indicate that new electron-transfer photochromic metal-organic complexes can be largely designed and synthesized by the rational assembly of nonphotochromic electron-donating and electron-accepting ligands.

  18. The comet assay with multiple mouse organs: comparison of comet assay results and carcinogenicity with 208 chemicals selected from the IARC monographs and U.S. NTP Carcinogenicity Database.

    Science.gov (United States)

    Sasaki, Y F; Sekihashi, K; Izumiyama, F; Nishidate, E; Saga, A; Ishida, K; Tsuda, S

    2000-11-01

    The comet assay is a microgel electrophoresis technique for detecting DNA damage at the level of the single cell. When this technique is applied to detect genotoxicity in experimental animals, the most important advantage is that DNA lesions can be measured in any organ, regardless of the extent of mitotic activity. The purpose of this article is to summarize the in vivo genotoxicity in eight organs of the mouse of 208 chemicals selected from International Agency for Research on Cancer (IARC) Groups 1, 2A, 2B, 3, and 4, and from the U.S. National Toxicology Program (NTP) Carcinogenicity Database, and to discuss the utility of the comet assay in genetic toxicology. Alkylating agents, amides, aromatic amines, azo compounds, cyclic nitro compounds, hydrazines, halides having reactive halogens, and polycyclic aromatic hydrocarbons were chemicals showing high positive effects in this assay. The responses detected reflected the ability of this assay to detect the fragmentation of DNA molecules produced by DNA single strand breaks induced chemically and those derived from alkali-labile sites developed from alkylated bases and bulky base adducts. The mouse or rat organs exhibiting increased levels of DNA damage were not necessarily the target organs for carcinogenicity. It was rare, in contrast, for the target organs not to show DNA damage. Therefore, organ-specific genotoxicity was necessary but not sufficient for the prediction of organ-specific carcinogenicity. It would be expected that DNA crosslinkers would be difficult to detect by this assay, because of the resulting inhibition of DNA unwinding. The proportion of 10 DNA crosslinkers that was positive, however, was high in the gastrointestinal mucosa, stomach, and colon, but less than 50% in the liver and lung. It was interesting that the genotoxicity of DNA crosslinkers could be detected in the gastrointestinal organs even though the agents were administered intraperitoneally. Chemical carcinogens can be classified

  19. Separation of heavy metal from water samples--The study of the synthesis of complex compounds of heavy metal with dithiocarbamates.

    Science.gov (United States)

    Kane, Sonila; Lazo, Pranvera; Ylli, Fatos; Stafilov, Trajce; Qarri, Flora; Marku, Elda

    2016-01-01

    The toxicity and persistence of heavy metal (HM) ions may cause several problems to marine organisms and human beings. For this reason, it is growing the interest in the chemistry of sulphur donor ligands such as dithiocarbamates (DDTC), due to their applications particularly in analytical chemistry sciences. The aim of this work has been the study of heavy metal complexes with DDTC and their application in separation techniques for the preconcentration and/or removing of heavy metals from the water solutions or the water ecosystems prior to their analysis. The HM-DDTC complexes were prepared and characterized by elemental analysis, FTIR and UV-Vis spectroscopic methods. The elemental analysis and the yield of the synthesis (97.5-99.9%) revealed a good purity of the complexes. High values of complex formation yields of HM-DDTC complexes is an important parameter for quantitatively removing/and or preconcentration of heavy metal ions from water solution even at low concentration of heavy metals. Significant differences founded between the characteristic parameters of UV/Vis (λmax and ϵmax) and FTIR absorption spectra of the parent DDTC and HM-DDTC complexes revealed the complex formation. The presence of the peaks at the visible spectral zone is important to M(nd(10-m))-L electron charge transfer of the new complexes. The (C=N) (1450-1500 cm(-1)) and the un-splitting (C-S) band (950-1002 cm(-1)) in HM-DDTC FTIR spectra are important to the identification of their bidentate mode (HM[S2CNC4H10]2). The total CHCl3 extraction of trace level heavy metals from water samples after their complex formation with DDTC is reported in this article.

  20. A study of H+ production using metal hydride and other compounds by means of laser ion source

    Energy Technology Data Exchange (ETDEWEB)

    Sekine M.; Kondo K.; Okamura, M.; Hayashizaki, N.

    2012-02-22

    A laser ion source can provide wide variety of ion beams from solid target materials, however, it has been difficult to create proton beam efficiently. We examined capability of proton production using beeswax, polyethylene, and metal hydrides (MgH2 and ZrH2) as target materials. The results showed that beeswax and polyethylene could not be used to produce protons because these targets are transparent to the laser wavelength of 1064 nm. On the other hand, the metal hydrides could supply protons. Although the obtained particle numbers of protons were less than those of the metal ions, the metal hydrides could be used as a target for proton laser ion source.

  1. A study of H{sup +} production using metal hydride and other compounds by means of laser ion source

    Energy Technology Data Exchange (ETDEWEB)

    Sekine, M. [Department of Nuclear Engineering, Tokyo Institute of Technology, Meguro, Tokyo (Japan); Riken, Wako, Saitama (Japan); Kondo, K.; Okamura, M. [Collider-Accelerator Department, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States); Hayashizaki, N. [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, Meguro, Tokyo (Japan)

    2012-02-15

    A laser ion source can provide wide variety of ion beams from solid target materials, however, it has been difficult to create proton beam efficiently. We examined capability of proton production using beeswax, polyethylene, and metal hydrides (MgH{sub 2} and ZrH{sub 2}) as target materials. The results showed that beeswax and polyethylene could not be used to produce protons because these targets are transparent to the laser wavelength of 1064 nm. On the other hand, the metal hydrides could supply protons. Although the obtained particle numbers of protons were less than those of the metal ions, the metal hydrides could be used as a target for proton laser ion source.

  2. A study of H+ production using metal hydride and other compounds by means of laser ion sourcea)

    Science.gov (United States)

    Sekine, M.; Kondo, K.; Okamura, M.; Hayashizaki, N.

    2012-02-01

    A laser ion source can provide wide variety of ion beams from solid target materials, however, it has been difficult to create proton beam efficiently. We examined capability of proton production using beeswax, polyethylene, and metal hydrides (MgH2 and ZrH2) as target materials. The results showed that beeswax and polyethylene could not be used to produce protons because these targets are transparent to the laser wavelength of 1064 nm. On the other hand, the metal hydrides could supply protons. Although the obtained particle numbers of protons were less than those of the metal ions, the metal hydrides could be used as a target for proton laser ion source.

  3. A study of H+ production using metal hydride and other compounds by means of laser ion source.

    Science.gov (United States)

    Sekine, M; Kondo, K; Okamura, M; Hayashizaki, N

    2012-02-01

    A laser ion source can provide wide variety of ion beams from solid target materials, however, it has been difficult to create proton beam efficiently. We examined capability of proton production using beeswax, polyethylene, and metal hydrides (MgH(2) and ZrH(2)) as target materials. The results showed that beeswax and polyethylene could not be used to produce protons because these targets are transparent to the laser wavelength of 1064 nm. On the other hand, the metal hydrides could supply protons. Although the obtained particle numbers of protons were less than those of the metal ions, the metal hydrides could be used as a target for proton laser ion source.

  4. Fabrication and characterization of nanostructured Fe3S4, an isostructural compound of half-metallic Fe3O4

    KAUST Repository

    Li, Peng

    2015-06-10

    High-purity, well-crystallized spinel Fe3S4 nanoplatelets were synthesized by the hydrothermal method, and the saturation magnetic moment of Fe3S4 was measured at 1.83 μB/f.u. The temperature-dependent resistivity of Fe3S4 was metallic-like for T < 180 K: room-temperature resistivity was measured at 7.711 × 103  μΩ cm. The anomalous Hall conductivity of Fe3S4 decreased with increasing longitudinal conductivity, in sharp contrast with the accepted theory of the anomalous Hall effect in a dirty-metal regime. Furthermore, negligible spin-dependent magnetoresistance was observed. Band structure calculations confirmed our experimental observations that Fe3S4 is a metal and not a half metal as expected.

  5. Hard X-ray PhotoElectron Spectroscopy of transition metal oxides: Bulk compounds and device-ready metal-oxide interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Borgatti, F., E-mail: francesco.borgatti@cnr.it [Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Consiglio Nazionale delle Ricerche (CNR), via P. Gobetti 101, Bologna I-40129 (Italy); Torelli, P.; Panaccione, G. [Istituto Officina dei Materiali (IOM)-CNR, Laboratorio TASC, Area Science Park, Trieste I-34149 (Italy)

    2016-04-15

    Highlights: • Hard X-ray PhotoElectron Spectroscopy (HAXPES) applied to buried interfaces of systems involving Transition Metal Oxides. • Enhanced contribution of the s states at high kinetic energies both for valence and core level spectra. • Sensitivity to chemical changes promoted by electric field across metal-oxide interfaces in resistive switching devices. - Abstract: Photoelectron spectroscopy is one of the most powerful tool to unravel the electronic structure of strongly correlated materials also thanks to the extremely large dynamic range in energy, coupled to high energy resolution that this form of spectroscopy covers. The kinetic energy range typically used for photoelectron experiments corresponds often to a strong surface sensitivity, and this turns out to be a disadvantage for the study of transition metal oxides, systems where structural and electronic reconstruction, different oxidation state, and electronic correlation may significantly vary at the surface. We report here selected Hard X-ray PhotoElectron Spectroscopy (HAXPES) results from transition metal oxides, and from buried interfaces, where we highlight some of the important features that such bulk sensitive technique brings in the analysis of electronic properties of the solids.

  6. A first-principle investigation of spin-gapless semiconductivity, half-metallicity, and fully-compensated ferrimagnetism property in Mn2ZnMg inverse Heusler compound

    Science.gov (United States)

    Wang, Xiaotian; Cheng, Zhenxiang; Khenata, Rabah; Rozale, Habib; Wang, Jianli; Wang, Liying; Guo, Ruikang; Liu, Guodong

    2017-02-01

    Recently, spin-gapless semiconductors (SGSs) and half-metallic materials (HMMs) have received considerable interest in the fields of materials sciences and solid-state physics because they can provide a high degree of spin polarization in electron transport. The results on band structure calculations reveal that the metallic fully-compensated ferrimagnet (M-FCF) Mn2ZnMg becomes half-metallic fully-compensated ferrimagnet (HM-FCF), fully-compensated ferrimagnetic semiconductor (FCF-S) and fully-compensated ferrimagnetic spin-gapless semiconductor (FCF-SGS) if the uniform strain applied. However, the metallic fully-compensated ferrimagnetism property of the Mn2ZnMg is robust to the tetragonalization. The structure stability based on the calculations of the cohesion energy and the formation energy of this compound has been tested. Furthermore, a magnetic state transition from antiferromagentic (AFM) state to non-magnetic (NM) state can be observed at the lattice constant of 5.20 Å.

  7. Ferromagnetic exchange anisotropy from antiferromagnetic superexchange in the mixed 3d-5d transition-metal compound Sr3CuIrO6.

    Science.gov (United States)

    Yin, Wei-Guo; Liu, X; Tsvelik, A M; Dean, M P M; Upton, M H; Kim, Jungho; Casa, D; Said, A; Gog, T; Qi, T F; Cao, G; Hill, J P

    2013-08-02

    We report a combined experimental and theoretical study of the unusual ferromagnetism in the one-dimensional copper-iridium oxide Sr(3)CuIrO(6). Utilizing Ir L(3) edge resonant inelastic x-ray scattering, we reveal a large gap magnetic excitation spectrum. We find that it is caused by an unusual exchange anisotropy generating mechanism, namely, strong ferromagnetic anisotropy arising from antiferromagnetic superexchange, driven by the alternating strong and weak spin-orbit coupling on the 5d Ir and 3d Cu magnetic ions, respectively. From symmetry consideration, this novel mechanism is generally present in systems with edge-sharing Cu(2+)O(4) plaquettes and Ir(4+)O(6) octahedra. Our results point to unusual magnetic behavior to be expected in mixed 3d-5d transition-metal compounds via exchange pathways that are absent in pure 3d or 5d compounds.

  8. Analytical chemical system for the determination of heavy metals and organic compounds. Annual progress report, December 1, 1978-November 30, 1979

    Energy Technology Data Exchange (ETDEWEB)

    Siggia, S.; Barnes, R.M.

    1979-10-24

    Progress has been made in the synthesis and characterization of new resins for sequestering inorganic and organic compounds. The capabilities of the poly(dithiocarbamate) resin have been extended, a new poly(acrylamidoxime) resin prepared and characterized, and a series of resins for organic compounds prepared and tested. Limited actual sample analyses have been performed with these resins. A new inductively coupled plasma source, spectrometer, and computer system have been received and they are undergoing tests and installation. With this system in place, the multielement analysis of metals during the forthcoming period will insure the application of sequestering resins to practical analysis of energy-related materials. An automated sample handling and data system has been designed, some components purchased, and construction is scheduled for 1980.

  9. Aromatic hydrogenation with noble metal basis catalysts: support effect on the sensitivity to sulfur compounds; Hidrogenacao de aromaticos com catalisadores a base de metal nobre: efeito do suporte na sensibilidade a compostos sulfurados

    Energy Technology Data Exchange (ETDEWEB)

    Zotin, J.L.; Duarte, M.A.I.; Silva, C.L.T.; Fonseca, D.L.; Costa, D.; Mattos, E.B.C. [PETROBRAS, S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    2000-07-01

    The production of high quality diesel oil, with lower contents of contaminants and better performance, demands a deep hydrogenation of the aromatics compounds present in this fuel. The process for aromatic saturation are usually based on noble metal catalysts which have high activity but are poisoned by sulfur compounds present in petroleum feedstocks. The tio-tolerance of these catalysts is a function, among others factors, of the nature of the metallic phase and its dispersion and of the nature of the support. In this paper, the effect of the support (silica-alumina or zeolite) on the sulfur tolerance of Pt Pd catalysts is studied. The hydrogenation of iso-propylbenzene in presence of sulfur concentration up to 500 ppm was used as model reaction. The catalyst supported on silica-alumina (SA) was 3 times more active than zeolite based catalyst (ZT), in absence of sulfur. However, this latter one was much more tolerant to sulfur poisoning, with an inhibition constant by sulfur 5 times lower than the one obtained for SA catalyst. These results are explained by the higher Broensted acidity of the zeolitic support, which is known to improve the tio-tolerance of metallic catalysts. (author)

  10. Report on carcinogens monograph on cumene.

    Science.gov (United States)

    2013-09-01

    The National Toxicology Program conducted a cancer evaluation on cumene for possible listing in the Report on Carcinogens (RoC). The cancer evaluation is captured in the RoC monograph, which was peer reviewed in a public forum. The monograph consists of two components: (Part 1) the cancer evaluation, which reviews the relevant scientific information, assesses its quality, applies the RoC listing criteria to the scientific information, and provides the NTP recommendation for listing status for cumene in the RoC, and (Part 2) the substance profile proposed for the RoC, containing the NTP's listing status recommendation, a summary of the scientific evidence considered key to reaching that decision, and data on properties, use, production, exposure, and Federal regulations and guidelines to reduce exposure to cumene. This monograph provides an assessment of the available scientific information on cumene, including human exposure and properties, disposition and toxicokinetics, cancer studies in experimental animals, and studies of mechanisms and other related effects, including relevant toxicological effects, genetic toxicology, and mechanisms of carcinogenicity. From this assessment, the NTP recommended that cumene be listed as reasonably anticipated to be a human carcinogen in the RoC based on sufficient evidence from studies in experimental animals, which found that cumene exposure caused lung tumors in male and female mice and liver tumors in female mice. Several proposed mechanisms of carcinogenesis support the relevance to humans of the lung and liver tumors observed in experimental animals. Specifically, there is evidence that humans and experimental animals metabolize cumene through similar metabolic pathways. In addition, mutations of the K-ras oncogene and p53 tumor-suppressor gene observed in cumene-induced lung tumors in mice, along with altered expression of many other genes, resemble molecular alterations found in human lung and other cancers.

  11. Ground state properties and thermoelectric behavior of Ru2VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

    Science.gov (United States)

    Yalcin, Battal Gazi

    2016-06-01

    The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru2VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L21 structure (prototype: Cu2MnAl, Fm-3m 225). This result is confirmed for Ru2VSi and Ru2VSn by experimental work reported by Yin and Nash using high temperature direct reaction calorimetry. The studied materials are half-metallic ferromagnets with a narrow direct band gap in the minority spin channel that amounts to 31 meV, 66 meV and 14 meV for Ru2VSi, Ru2VGe, and Ru2VSn, respectively. The total spin magnetic moment (Mtot) of the considered compounds satisfies a Slater-Pauling type rule for localized magnetic moment systems (Mtot=(NV-24)μB), where NV=25 is the number of valence electrons in the primitive cell. The Curie temperature within the random phase approximation (RPA) is found to be 23 K, 126 K and 447 K for Ru2VSi, Ru2VGe and Ru2VSn, respectively. Semi-classical Boltzmann transport theories have been used to obtain thermoelectric constants, such as Seebeck coefficient (S), electrical (σ/τ) and thermal conductivity (κ/τ), power factor (PF) and the Pauli magnetic susceptibility (χ). ZTMAX values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru2VSi, Ru2VGe and Ru2VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds.

  12. Electronic structure, Fermi surface and optical properties of metallic compound Be{sub 8}(B{sub 48})B{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Azam, Sikander, E-mail: sikander.physicst@gmail.com [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Alahmed, Z.A. [Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Chyský, Jan [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

    2014-02-15

    The band structure, density of states, electronic charge density, Fermi surface and optical properties for B{sub 8}(Be{sub 48})B{sub 2} compound has been investigated in the support of density functional theory (DFT). The atomic positions of B{sub 8}(Be{sub 48})B{sub 2} compound were optimized by minimization of the forces acting on the atoms using the full potential linear augmented plane wave (FPLAPW) method. We have employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engal-Vosko GGA (EVGGA) to indulgence the exchange correlation potential by solving Kohn–Sham equations. The result shows that the compound is metallic with sturdy hybridization near the Fermi energy level (E{sub F}). The density of states at Fermi energy, N(E{sub F}), is determined by the overlaping between B-p, B-s and Be-s states. This overlaping is strong enough indicating metallic origin with different values of N(E{sub F}). These values are 16.4, 16.27 and 14.89 states/eV, and the corresponding bare linear low-temperature electronic specific heat coefficient (γ) is found to be 2.84, 2.82 and 2.58 mJ/mol K{sup 2} for EVGGA, GGA and LDA respectively. There exists a strong hybridization between B-s and B-p states, also between B-s and Be-p states around the Fermi level. The Fermi surface is composed of three sheets. These sheets consist of set of holes and electrons. The bonding features of the compounds are analyzed using the electronic charge density in the (101 and −101) crystallographic planes and also the analyzing of charge density shows covalent bonding between B and B. The linear optical properties are also deliberated and discussed in particulars. - Highlights: • The compound is metallic. • The density of states at the Fermi energy is calculated. • The bare linear low-temperature electronic specific heat coefficient is obtained. • Fermi surface is composed of three sheets. • The bonding features are analyzed using the electronic

  13. Prostaglandin synthase-mediated metabolism of carcinogens and a potential role for peroxyl radicals as reactive intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Marnett, L.J. (Vanderbilt Univ. School of Medicine, Nashville, TN (USA))

    1990-08-01

    Prostaglandin-H synthase is unique among enzymes of the plant and animal kingdom in its ability to biosynthesize and metabolize hydroperoxides. Higher oxidation states of the peroxidase oxidize reducing substrates to electron-deficient derivatives that react with macromolecular nucleophiles. In the case of aromatic amines, the electron-deficient derivatives are mutagenic to bacterial and mammalian cells. {beta}-Dicarbonyl compounds and retinoic acid are oxidized to carbon-centered radicals that react with O{sub 2} to form peroxyl free radicals. Peroxyl radicals are the most stable oxy radicals and are able to diffuse some distance from the site of their generation. Peroxyl radicals are also formed during lipid peroxidation and in the reaction of polyunsaturated fatty acid hydroperoxides with metal complexes and metalloproteins. Peroxyl radicals epoxidize isolated doubled bonds of compounds such as 7,8-dihydroxy-7,8-dihydrobenzo(a)pyrene (BP-7,8-diol); 3,4-dihydroxy-3,4-dihydrobenzo(a)anthracene; and aflatoxin B{sub 1}. The epoxide products represent the ultimate carcinogenic forms of the respective compounds. Techniques for quantitating the extent of peroxidase dependent or peroxyl radical-dependent metabolism in vivo make use of differences in the structure or stereochemistry of reactive intermediates formed by peroxidases relative to cytochromes P-450. Differences in the relative amounts of hydrolysis products and DNA adducts derived from anti- and syn-dihydrodiolepoxides following application of BP-7,8-diol to mouse skin in vivo indicate peroxyl radicals play a significant role in metabolism of BP-7,8-diol in uninduced animals.

  14. Generation of in vitro data to model dose dependent in vivo DNA binding of genotoxic carcinogens and its consequences: the case of estragole

    NARCIS (Netherlands)

    Paini, A.

    2012-01-01

    Our food contains several compounds which, when tested in isolated form at high doses in animal experiments, have been shown to be genotoxic and carcinogenic. At the present state-of-the-art there is no scientific consensus on how to perform the risk assessment of these compounds when present at low

  15. Organic mutagens and drinking water in The Netherlands : a study on mutagenicity of organic constituents in drinking water in The Netherlands and their possible carcinogenic effects

    NARCIS (Netherlands)

    Kool, H.J.

    1983-01-01

    Several mutagenic and carcinogenic organic compounds have been detected in Dutch surface waters and in drinking water prepared from these surface waters. Although the levels of these compounds in drinking- and surface water are relatively low, in general below μg per litre, it appeared that organic

  16. Organic mutagens and drinking water in the Netherlands : a study on mutagenicity of organic constituents in drinking water in The Netherlands and their possible carcinogenic effects

    NARCIS (Netherlands)

    Kool, H.J.

    1983-01-01

    Several mutagenic and carcinogenic organic compounds have been detected in Dutch surface waters and in drinking water prepared from these surface waters. Although the levels of these compounds in drinking- and surface water are relatively low, in general below μg per litre, it appeared that organic

  17. Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

    Science.gov (United States)

    Khalaf Al-zyadi, Jabbar M.; Jolan, Mudhahir H.; Yao, Kai-Lun

    2016-04-01

    Recent studies showed that half-Heusler FeCrSe exhibits half-metallic ferromagnetism (Huang et al. [20]). In this paper, we investigate extensively the electronic, magnetic, and half-metallic properties of the half-Heusler alloy FeCrSe (111) and (001) surfaces and the interface with GaP (111) substrate by using the first-principles calculations within the density functional theory. The atomic density of states demonstrates that the half-me tallicity verified in the bulk FeCrSe is maintained at the CrSe-terminated (001) and Se-terminated (111) surfaces, but lost at both Cr- and Fe-terminated (111) surfaces and the Fe-terminated (001) surface. Alternatively, for the interface of FeCrSe/GaP (111), the bulk half-metallicity is destroyed at Se-P configuration while Se-Ga interface and subinterface show nearly 100% spin polarization. Moreover, the calculated interfacial adhesion energies exhibit that Se-Ga shape is more stable than the Se-P one. The calculated magnetic moments of Se, Ga at the Se-Ga (111) interface and P at the Se-P (111) interface increase with respect to the corresponding bulk values while the atomic magnetic moment of Se atom at the Se-P (111) interface decreases. We also notice that the magnetic moments of subinterface Fe at both Se-Ga and Se-P (111) interfaces decrease compared to the bulk values.

  18. Occurrence, uses, and carcinogenicity of arylamines.

    Science.gov (United States)

    Chung, King-Thom

    2015-01-01

    Arylamines are chemically synthesized and contained in oxidants, epoxy polymers, explosives, fungicides, pesticides, colorants, polyurethanes, and used in rubber, pharmacology, cosmetics, and other chemical industries. Many arylamines are ubiquitously present in cigarette smoke, cooking fume hoods, foods, automobile exhaust, industrial sites, etc. Some arylamines can be generated through azo reduction by intestinal, skin, and environmental microorganisms from azo dyes that are widely used. Arylamines can also be generated by reduction of the nitro-group containing polyhydrated hydrocarbons including muntions. Some arylamines are released by burning nitrogen containing organic materials at high temperatures. Some medical drugs are also arylamines. Furthermore, many arylamines are essential constituents of normal metabolism or the result of abnormal metabolism or dietary sources. Some arylamines are mutagenic, carcinogenic or the cause of other kinds of maladies. Some arylamine are considered the major etiological agents of bladder tumors in humans and animals but may also induce other types of cancers in various organs. The organ, tissue, and species specificity of the arylamine-inducing carcinogenesis may be determined by their availability, distribution, and the presence of metabolic activation/detoxicification enzymes of each organ or tissue of different species. The ubiquitous arylamines, therefore, pose serious hazards to human health and environment. This article will address the occurrence, uses, carcinogenicity, and other arylamines-induced diseases.

  19. Carcinogenicity/tumour promotion by NDL PCB

    Energy Technology Data Exchange (ETDEWEB)

    Schrenk, D. [Kaiserslautern Univ. (Germany). Food Chemistry and Environmental Toxicology

    2004-09-15

    Polychlorinated biphenyls (PCBs) belong to the group of persistent environmental pollutants exhibiting neurotoxic, teratogenic and tumour-promoting effects in experimental animal models. PCB congeners can be divided into 'dioxinlike' and 'non-dioxinlike' congeners on the basis of their ability to act as aryl hydrocarbon receptor (AhR) agonists. Like the most toxic dioxin congener 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) 'dioxinlike' PCBs bind to the AhR and show characteristic effects on the expression of AhR-regulated genes including the induction of cytochrome P450 (CYP) 1A1. On the other hand, 'non-dioxinlike' PCB congeners have a lower or no binding affinity to the AhR, but exhibit a 'phenobarbital-type' induction of CYP 2B1/2 activity. A carcinogenic potential of PCBs has been demonstrated with technical mixtures such as Aroclors or Clophens. In these studies the liver and the thyroid gland were found to be the principal target organs of PCB-mediated carcinogenesis in rodents. No studies have been published, however, on the carcinogenicity of individual congeners. In two-stage initiation-promotion protocols in rats, both technical mixtures and individual 'dioxinlike' and 'non-dioxinlike' congeners were reported to act as liver tumour promoters.

  20. Evaluation of the potential carcinogenicity of chlorambucil. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1988-06-01

    Chlorambucil is a probable human carcinogen, classified as weight-of-evidence Group B1 under the EPA Guidelines for Carcinogen Risk Assessment. Evidence on potential carcinogenicity from animal studies is Sufficient, and the evidence from human studies is Limited. Data available are inadequate for calculating a potency factor (F) and no quantitative inferences can be made according to the CAG's methodology for evaluating potential carcinogens. Chlorambucil is, therefore, assigned to the median potency factor range and placed in potency group 2. Combining the weight-of-evidence group and the potency group, chlorambucil is assigned a MEDIUM hazard ranking.

  1. Tobacco carcinogens, their biomarkers and tobacco-induced cancer.

    Science.gov (United States)

    Hecht, Stephen S

    2003-10-01

    The devastating link between tobacco products and human cancers results from a powerful alliance of two factors - nicotine and carcinogens. Without either one of these, tobacco would be just another commodity, instead of being the single greatest cause of death due to preventable cancer. Nicotine is addictive and toxic, but it is not carcinogenic. This addiction, however, causes people to use tobacco products continually, and these products contain many carcinogens. What are the mechanisms by which this deadly combination leads to 30% of cancer-related deaths in developed countries, and how can carcinogen biomarkers help to reveal these mechanisms?

  2. Polycyclic aromatic compounds (PAHs and oxygenated PAHs) and trace metals in fish species from Ghana (West Africa): bioaccumulation and health risk assessment.

    Science.gov (United States)

    Bandowe, Benjamin A Musa; Bigalke, Moritz; Boamah, Linda; Nyarko, Elvis; Saalia, Firibu Kwesi; Wilcke, Wolfgang

    2014-04-01

    We report the concentrations of 28 PAHs, 15 oxygenated PAHs (OPAHs) and 11 trace metals/metalloids (As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, Se, and Zn) in muscle and gut+gill tissues of demersal fishes (Drapane africana, Cynoglossus senegalensis and Pomadasys peroteti) from three locations along the coast of the Gulf of Guinea (Ghana). The concentrations of ∑28PAHs in muscle tissues averaged 192ngg(-1) dw (range: 71-481ngg(-1) dw) and were not statistically different between locations. The concentrations of ∑28 PAHs were higher in guts+gills than in muscles. The PAH composition pattern was dominated by low molecular weight compounds (naphthalene, alkyl-naphthalenes and phenanthrene). All fish tissues had benzo[a]pyrene concentrations lower than the EU limit for food safety. Excess cancer risk from consumption of some fish was higher than the guideline value of 1×10(-6). The concentrations of ∑15 OPAHs in fish muscles averaged 422ngg(-1) dw (range: 28-1715ngg(-1)dw). The ∑15 OPAHs/∑16 US-EPA PAHs concentration ratio was >1 in 68% of the fish muscles and 100% of guts+gills. The log-transformed concentrations of PAHs and OPAHs in muscles, guts+gills were significantly (ptrace metal concentrations in the fish tissues were in the medium range when compared to fish from other parts of the world. The concentrations of some trace metals (Cd, Cu, Fe, Mn, Zn) were higher in guts+gills than in muscle tissues. The target hazard quotients for metals weretrace metals content) is minimal. Copyright © 2014 Elsevier Ltd. All rights reserved.

  3. ATOMIC-FORCE MICROSCOPY IMAGING OF TRANSITION-METAL LAYERED COMPOUNDS - A 2-DIMENSIONAL STICK-SLIP SYSTEM

    NARCIS (Netherlands)

    Kerssemakers, J.W J; de Hosson, J.T.M.

    1995-01-01

    Various layered transition metal dichalcogenides were scanned with an optical-lever atomic force microscope (AFM). The microscopic images indicate the occurrence of strong lateral stick-slip effects. In this letter, two models are presented to describe the observations due to stick-slip, i.e.,

  4. ATOMIC-FORCE MICROSCOPY IMAGING OF TRANSITION-METAL LAYERED COMPOUNDS - A 2-DIMENSIONAL STICK-SLIP SYSTEM

    NARCIS (Netherlands)

    Kerssemakers, J.W J; de Hosson, J.T.M.

    1995-01-01

    Various layered transition metal dichalcogenides were scanned with an optical-lever atomic force microscope (AFM). The microscopic images indicate the occurrence of strong lateral stick-slip effects. In this letter, two models are presented to describe the observations due to stick-slip, i.e., eithe

  5. Atomic force microscopy imaging of transition metal layered compounds : A two-dimensional stick–slip system

    NARCIS (Netherlands)

    Kerssemakers, J.; Hosson, J.Th.M. De

    1995-01-01

    Various layered transition metal dichalcogenides were scanned with an optical-lever atomic force microscope (AFM). The microscopic images indicate the occurrence of strong lateral stick–slip effects. In this letter, two models are presented to describe the observations due to stick–slip, i.e., eithe

  6. Determination of carbon in uranium and its compounds; Determinacion de carbono en uranio metal y sus compuestos

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Garcia, M. M.

    1972-07-01

    This paper collects the analytical methods used our laboratories for the determination of carbon in uranium metal, uranate salts and the oxides, fluorides and carbides of uranium. The carbon is usually burned off in a induction or resistance oven under oxygen flow. The CO{sub 2} is collected in barite solution. Where it is backtitrated with potassium biphthalate. (Author)

  7. Synthesis of azomethine macrocycles by condensation of dicarbonyl compounds with diamines without using metal ions as template agents

    Energy Technology Data Exchange (ETDEWEB)

    Borisova, Natalia E; Reshetova, Marina D; Ustynyuk, Yuri A [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation)

    2007-09-30

    Different strategies for the synthesis of symmetrical and unsymmetrical macrocyclic Schiff bases in the absence of metal ions are considered. General methods for performing macrocyclisation under thermodynamic or kinetic control are analysed. The key factors influencing the structure of macrocyclic azomethines are discussed.

  8. Solid state 1D and 2D NMR spectroscopic investigations of conformational changes of metal phytate compounds

    Science.gov (United States)

    Phytate (myo-inositol-1,2,3,4,5,6-hexakisphosphate) (IP6) is the major organic phosphorus component in ceral grains, legumes and seeds high in oil. The high chelating ability of phytate decreases the nutritional availabilty of dietary metal ions (e.g., Ca2+, Fe3+ and Zn2+). Phytate could also decrea...

  9. Oxidative Stress Mechanisms Do Not Discriminate between Genotoxic and Nongenotoxic Liver Carcinogens.

    Science.gov (United States)

    Deferme, Lize; Wolters, Jarno; Claessen, Sandra; Briedé, Jacco; Kleinjans, Jos

    2015-08-17

    It is widely accepted that in chemical carcinogenesis different modes-of-action exist, e.g., genotoxic (GTX) versus nongenotoxic (NGTX) carcinogenesis. In this context, it has been suggested that oxidative stress response pathways are typical for NGTX carcinogenesis. To evaluate this, we examined oxidative stress-related changes in gene expression, cell cycle distribution, and (oxidative) DNA damage in human hepatoma cells (HepG2) exposed to GTX-, NGTX-, and noncarcinogens, at multiple time points (4-8-24-48-72 h). Two GTX (azathriopine (AZA) and furan) and two NGTX (tetradecanoyl-phorbol-acetate, (TPA) and tetrachloroethylene (TCE)) carcinogens as well as two noncarcinogens (diazinon (DZN, d-mannitol (Dman)) were selected, while per class one compound was deemed to induce oxidative stress and the other not. Oxidative stressors AZA, TPA, and DZN induced a 10-fold higher number of gene expression changes over time compared to those of furan, TCE, or Dman treatment. Genes commonly expressed among AZA, TPA, and DZN were specifically involved in oxidative stress, DNA damage, and immune responses. However, differences in gene expression between GTX and NGTX carcinogens did not correlate to oxidative stress or DNA damage but could instead be assigned to compound-specific characteristics. This conclusion was underlined by results from functional readouts on ROS formation and (oxidative) DNA damage. Therefore, oxidative stress may represent the underlying cause for increased risk of liver toxicity and even carcinogenesis; however, it does not discriminate between GTX and NGTX carcinogens.

  10. Chemical characteristic of PM2.5 emission and inhalational carcinogenic risk of domestic Chinese cooking.

    Science.gov (United States)

    Zhang, Nan; Han, Bin; He, Fei; Xu, Jia; Zhao, Ruojie; Zhang, Yujuan; Bai, Zhipeng

    2017-08-01

    To illustrate chemical characteristic of PM2.5 emission and assess inhalational carcinogenic risk of domestic Chinese cooking, 5 sets of duplicate cooking samples were collected, using the most used 5 types of oil. The mass abundance of 14 elements, 5 water-soluble ions, organic carbon (OC), elemental carbon (EC) and 11 polycyclic aromatic hydrocarbons (PAHs) were calculated; the signature and diagnostic ratio of cooking in the domestic kitchen were analyzed; and carcinogenic risks of heavy metals and PAHs via inhalation were assessed in two scenarios. The analysis showed that OC was the primary composition in the chemical profile; Na was the most abundant element that might be due to the usage of salt; Cr and Pb, NO3(-) and SO4(2-), Phe, FL and Pyr were the main heavy metals/water-soluble ions/PAHs, respectively. Phe and FL could be used to separate cooking and stationary sources, while diagnostic ratios of BaA/(BaA + CHR), BaA/CHR, BaP/BghiP and BaP/BeP should be applied with caution, as they were influenced by various cooking conditions. Carcinogenic risks of heavy metals and PAHs were evaluated in two scenarios, simulating the condition of cooking with no ventilation and with the range hood on, respectively. The integrated risk of heavy metals and PAHs was 2.7 × 10(-3) and 5.8 × 10(-6), respectively, during cooking with no ventilation. While with the usage of range hood, only Cr(VI), As and Ni might induce potential carcinogenic risk. The difference in the chemical abundance in cooking sources found between this and other studies underlined the necessity of constructing locally representative source profiles under real conditions. The comparison of carcinogenic risk suggested that the potentially adverse health effects induced by inorganic compositions from cooking sources should not be ignored. Meanwhile, intervention methods, such as the operation of range hood, should be applied during cooking for health protection. Copyright © 2017 Elsevier Ltd

  11. Phytoremediation of soils co-contaminated by organic compounds and heavy metals: bioassays with Lupinus luteus L. and associated endophytic bacteria.

    Science.gov (United States)

    Gutiérrez-Ginés, M J; Hernández, A J; Pérez-Leblic, M I; Pastor, J; Vangronsveld, J

    2014-10-01

    In the central part of the Iberian Peninsula there are old sealed landfills containing soils co-contaminated by several heavy metals (Cu, Zn, Pb, Cd, Ni, As, Cr, Fe, Al, Mn) and organic pollutants of different families (hydrocarbons, polycyclic aromatic hydrocarbons, polychlorinated biphenyls, pesticides and other organochlorinated compounds, phenols and volatile compounds), which this work will address. We have focused on phytoremedial plants that are able to deal with this type of complex pollution, not only species that tolerate the joint effect of heavy metals in the soil, but also those that can take advantage of associated bacteria to efficiently break down organic compounds. This study was carried out with Lupinus luteus and its endophytes in two greenhouse experiments: A) growing in a substrate artificially contaminated with benzo(a)pyrene (BaP), and B) using real co-contaminated landfill soils. Endophytes of roots and shoots were isolated in both bioassays. Plant growth-promotion tests and organic pollutant tolerance and degradation tests were conducted on all strains isolated in bioassay A), and on those proving to be pure cultures from bioassay B). The selected landfill is described as are isolation and test procedures. Results indicate that plants did not show toxicity symptoms when exposed to BaP but did when grown in landfill soil. Some endophytes demonstrated plant growth-promotion capacity and tolerance to BaP and other organic compounds (diesel and PCB commercial mixtures). A few strains may even have the capacity to metabolize those organic pollutants. The overall decline in plant growth-promotion capacity in those strains isolated from the landfill soil experiment, compared with those from the bioassay with BaP, may indicate that lupin endophytes are not adapted to metal concentration in roots and shoots and fail to grow. As a result, most isolated root endophytes must have colonized root tissues from the soil. While preliminary degradation tests

  12. Group 11 Metal Compounds with Tripodal Bis(imidazole Thioether Ligands. Applications as Catalysts in the Oxidation of Alkenes and as Antimicrobial Agents

    Directory of Open Access Journals (Sweden)

    Armando Varela-Ramírez

    2011-08-01

    Full Text Available New group 11 metal complexes have been prepared using the previously described tripodal bis(imidazole thioether ligand (N-methyl-4,5-diphenyl-2-imidazolyl2C(OMeC(CH32S(tert-Bu ({BITOMe,StBu}, 2. The pincer ligand offers a N2S donor atom set that can be used to coordinate the group 11 metals in different oxidation states [AuI, AuIII, AgI, CuI and CuII]. Thus the new compounds [Au{BITOMe,StBu}Cl][AuCl4]2 (3, [Au{BITOMe,StBu}Cl] (4, [Ag{BITOMe,StBu}X] (X = OSO2CF3- 5, PF6- 6 and [Cu{BITOMe,StBu}Cl2] (7 have been synthesized from reaction of 2 with the appropriate metal precursors, and characterized in solution. While attempting characterization in the solid state of 3, single crystals of the neutral dinuclear mixed AuIII-AuI species [Au2{BITOMe,S}Cl3] (8 were obtained and its crystal structure was determined by X-ray diffraction studies. The structure shows a AuIII center coordinated to the pincer ligand through one N and the S atom. The soft AuI center coordinates to the ligand through the same S atom that has lost the tert-butyl group, thus becoming a thiolate ligand. The short distance between the AuI-AuIII atoms (3.383 Å may indicate a weak metal-metal interaction. Complexes 2-7 and the previously described CuI compound [Cu{BITOMe,StBu}]PF6 (9 have been evaluated in the oxidation of biphenyl ethylene with tert-butyl hydrogen peroxide (TBHP as the oxidant. Results have shown that the AuI and AgI complexes 4 and 6 (at 10 mol % loading are the more active catalysts in this oxidative cleavage. The antimicrobial activity of compounds 2-5, 7 and 9 against Gram-positive and Gram-negative bacteria and yeast has also been evaluated. The new gold and silver compounds display moderate to high antibacterial activity, while the copper derivatives are mostly inactive. The gold and silver complexes were also potent against fungi. Their cytotoxic properties have been analyzed in vitro utilizing HeLa human cervical carcinoma cells. The compounds displayed a

  13. Group 11 Metal Compounds with Tripodal Bis(imidazole) Thioether Ligands. Applications as Catalysts in the Oxidation of Alkenes and as Antimicrobial Agents.

    Science.gov (United States)

    Liu, Fangwei; Anis, Reema; Hwang, Eunmi; Ovalle, Rafael; Varela-Ramírez, Armando; Aguilera, Renato J; Contel, María

    2011-08-08

    New group 11 metal complexes have been prepared using the previously described tripodal bis(imidazole) thioether ligand (N-methyl-4,5-diphenyl-2-imidazolyl)2C(OMe)C(CH3)2S(tert-Bu) ({BITOMe,StBu}, 2). The pincer ligand offers a N2S donor atom set that can be used to coordinate the group 11 metals in different oxidation states [AuI, AuIII, AgI, CuI and CuII]. Thus the new compounds [Au{BITOMe,StBu}Cl][AuCl4]2 (3), [Au{BITOMe,StBu}Cl] (4), [Ag{BITOMe,StBu}X] (X = OSO2CF3- 5, PF6- 6) and [Cu{BITOMe,StBu}Cl2] (7) have been synthesized from reaction of 2 with the appropriate metal precursors, and characterized in solution. While attempting characterization in the solid state of 3, single crystals of the neutral dinuclear mixed AuIII-AuI species [Au2{BITOMe,S}Cl3] (8) were obtained and its crystal structure was determined by X-ray diffraction studies. The structure shows a AuIII center coordinated to the pincer ligand through one N and the S atom. The soft AuI center coordinates to the ligand through the same S atom that has lost the tert-butyl group, thus becoming a thiolate ligand. The short distance between the AuI-AuIII atoms (3.383 Å) may indicate a weak metal-metal interaction. Complexes 2-7 and the previously described CuI compound [Cu{BITOMe,StBu}]PF6 (9) have been evaluated in the oxidation of biphenyl ethylene with tert-butyl hydrogen peroxide (TBHP) as the oxidant. Results have shown that the AuI and AgI complexes 4 and 6 (at 10 mol % loading) are the more active catalysts in this oxidative cleavage. The antimicrobial activity of compounds 2-5, 7 and 9 against Gram-positive and Gram-negative bacteria and yeast has also been evaluated. The new gold and silver compounds display moderate to high antibacterial activity, while the copper derivatives are mostly inactive. The gold and silver complexes were also potent against fungi. Their cytotoxic properties have been analyzed in vitro utilizing HeLa human cervical carcinoma cells. The compounds displayed a very

  14. Obtaining half-metallic ferrimagnetism and antiferromagnetism by doping Mn and Fe for DO{sub 3}-type Heusler compound Cr{sub 3}Si

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jia, E-mail: jiali@hebut.edu.cn [School of Science, Hebei University of Technology, Tianjin 300130 (China); Liu, Heyan [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Zhang, Zhidong [School of Science, Hebei University of Technology, Tianjin 300130 (China); Zhang, Shaoling; Xu, Xuewen [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2014-06-01

    Highlights: • Six doped Heusler compounds are predicted to be half-metallic magnetism. • New feature of occupation rule for doping 3d transition metal atoms is found. • The uniformity rule of occupation for doped Heusler compound is verified. - Abstract: The electronic structure, magnetic properties and occupation feature of DO{sub 3}-type Heusler compounds (Cr{sub 1−x}Mn{sub x}){sub 3}Si and (Cr{sub 1−x}Fe{sub x}){sub 3}Si (x = n/12, n = 0, 2, 4, 6, 8, 10, 12) have been investigated by first principles calculations. The compounds Cr{sub 3}Si, (Cr{sub 1–4/12}Mn{sub 4/12}){sub 3}Si, Mn{sub 3}Si, (Cr{sub 1–2/12}Fe{sub 2/12}){sub 3}Si, and (Cr{sub 1–6/12}Fe{sub 6/12}){sub 3}Si are predicted to be half-metallic ferrimagnets. The compound (Cr{sub 1–4/12}Fe{sub 4/12}){sub 3}Si is predicted to be half-metallic antiferromagnet, which is applicable to spintronic devices due to its zero magnetization. The Fe atoms of (Cr{sub 1−x}Fe{sub x}){sub 3}Si prefer to occupy the (A,C) sites while the Mn atoms of (Cr{sub 1−x}Mn{sub x}){sub 3}Si tend to occupy the B site, indicating that the occupation of doping atoms is affected strongly by the inter-atom hybridization and the 3d electrons number of doping atoms is not a determining factor. In addition, the results confirm the uniformity rule that the A site is equivalent to C site and the doping atoms prefer to enter the two sublattice uniformly. The more symmetric surroundings of atom coordination in B site in contrast to (A,C) site leads to a typical 3d electronic splitting peaks. The total moment for all the doped compounds (Cr{sub 1−x}Mn{sub x}){sub 3}Si and (Cr{sub 1−x}Fe{sub x}){sub 3}Si agrees well with the Slater–Pauling rule. The coexisting Cr(B) and Cr(A,C) atoms show antiferromagnetic coupling character for both (Cr{sub 1−x}Mn{sub x}){sub 3}Si and (Cr{sub 1−x}Fe{sub x}){sub 3}Si. The coexisting doping Mn(B) and Mn(A,C) atoms show antiferromagnetic coupling character for (Cr{sub 1−x}Mn{sub x

  15. First-principles point defect models in Zr7Ni10 and Zr2Ni7 binary intermetallic compounds and their implications in nickel-metal hydride batteries

    Science.gov (United States)

    Wong, Diana F.

    Zr-Ni-based alloys as nickel-metal hydride battery anode materials offer low-cost, flexible and tunable battery performance. Zr7Ni 10 is an important secondary phase found in multi-phased AB2 Laves-phase-based metal hydride alloys, and the synergetic effect between the Zr-Ni and the Laves phases allows access to the high hydrogen storage of the Zr-Ni phases despite the lower absorption/desorption kinetics. Zr7Ni10 displays a small solubility window for Zr-rich compositions, while Zr2Ni7, with no solubility window, shows poor capacity with good kinetics. Stability of point defects within the crystal structure allows Zr7Ni10 to maintain the same structure at off-stoichiometric compositions, thus it is theorized that defects may play a role in the difference between the electrochemical behaviors in Zr7Ni10 and Zr2Ni7. Defect models in Zr7Ni10 and Zr2Ni7 compounds computed using a combination of density functional theory and statistical mechanics offer a starting point for understanding the possible roles that point defects have on the performance of Zr-Ni based active negative electrode materials in Ni/MH batteries. Theoretical vacancy and anti-site defect formation energies are calculated and reported for Zr-rich, Ni-rich, and stoichiometric compounds of Zr7Ni 10 and Zr2Ni7, and the implications of the defect models on nickel-metal hydride negative electrode active material design and performance are discussed.

  16. Removal of organic compounds and trace metals from oil sands process-affected water using zero valent iron enhanced by petroleum coke.

    Science.gov (United States)

    Pourrezaei, Parastoo; Alpatova, Alla; Khosravi, Kambiz; Drzewicz, Przemysław; Chen, Yuan; Chelme-Ayala, Pamela; Gamal El-Din, Mohamed

    2014-06-15

    The oil production generates large volumes of oil sands process-affected water (OSPW), referring to the water that has been in contact with oil sands or released from tailings deposits. There are concerns about the environmental impacts of the release of OSPW because of its toxicity. Zero valent iron alone (ZVI) and in combination with petroleum coke (CZVI) were investigated as environmentally friendly treatment processes for the removal of naphthenic acids (NAs), acid-extractable fraction (AEF), fluorophore organic compounds, and trace metals from OSPW. While the application of 25 g/L ZVI to OSPW resulted in 58.4% removal of NAs in the presence of oxygen, the addition of 25 g petroleum coke (PC) as an electron conductor enhanced the NAs removal up to 90.9%. The increase in ZVI concentration enhanced the removals of NAs, AEF, and fluorophore compounds from OSPW. It was suggested that the electrons generated from the oxidation of ZVI were transferred to oxygen, resulting in the production of hydroxyl radicals and oxidation of NAs. When OSPW was de-oxygenated, the NAs removal decreased to 17.5% and 65.4% during treatment with ZVI and CZVI, respectively. The removal of metals in ZVI samples was similar to that obtained during CZVI treatment. Although an increase in ZVI concentration did not enhance the removal of metals, their concentrations effectively decreased at all ZVI loadings. The Microtox(®) bioassay with Vibrio fischeri showed a decrease in the toxicity of ZVI- and CZVI-treated OSPW. The results obtained in this study showed that the application of ZVI in combination with PC is a promising technology for OSPW treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method.

    Science.gov (United States)

    Toropova, Alla P; Toropov, Andrey A

    2014-02-14

    Methodology of building up and validation of models for carcinogenic potentials of drugs by means of the CORAL software is described. The QSAR analysis by the CORAL software includes three phases: (i) definition of preferable parameters for the optimization procedure that gives maximal correlation coefficient between endpoint and an optimal descriptor that is calculated with so-called correlation weights of various molecular features; (ii) detection of molecular features with stable positive correlation weights or vice versa stable negative correlation weights (molecular features which are characterized by solely positive or solely negative correlation weights obtained for several starts of the Monte Carlo optimization are a basis for mechanistic interpretations of the model); and (iii) building up the model that is satisfactory from point of view of reliable probabilistic criteria and OECD principles. The methodology is demonstrated for the case of carcinogenicity of a large set (n = 1464) of organic compounds which are potential or actual pharmaceutical agents.

  18. Combined effects of ultrasonic vibration and manganese on Fe-containing inter-metallic compounds and mechanical properties of Al-17Si alloy with 3wt.%Fe

    Directory of Open Access Journals (Sweden)

    Lin Chong

    2013-05-01

    Full Text Available The research studied the combined effects of ultrasonic vibration (USV and manganese on the Fe-containing inter-metallic compounds and mechanical properties of Al-17Si-3Fe-2Cu-1Ni (wt.% alloys. The results showed that, without USV, the alloys with 0.4wt.% Mn or 0.8wt.% Mn both contain a large amount of coarse plate-like δ-Al4(Fe,MnSi2 phase and long needle-like β-Al5(Fe,MnSi phase. When the Mn content changes from 0.4wt.% to 0.8wt.% in the alloys, the amount and the length of needle-like β-Al5(Fe,MnSi phase decrease and the plate-like δ-Al4(Fe,MnSi2 phase becomes much coarser. After USV treatment, the Fe-containing compounds in the alloys are refined and exist mainly as δ-Al4(Fe,MnSi2 particles with an average grain size of about 20 μm, and only a small amount of β-Al5(Fe,MnSi phase remains. With USV treatment, the ultimate tensile strengths (UTS of the alloys containing 0.4wt.%Mn and 0.8wt.%Mn at room temperature are 253 MPa and 262 MPa, respectively, and the ultimate tensile strengths at 350 °C are 129 MPa and 135 MPa, respectively. It is considered that the modified morphology and uniform distribution of the Fe-containing inter-metallic compounds, which are caused by the USV process, are the main reasons for the increase in the tensile strength of these two alloys.

  19. Detection of genotoxic carcinogens in the in vivo-in vitro hepatocyte DNA repair assay.

    Science.gov (United States)

    Mirsalis, J C; Tyson, C K; Butterworth, B E

    1982-01-01

    The in vivo-in vitro hepatocyte DNA repair assay has been shown to be useful in the evaluation of the carcinogenic potential of chemicals. The purpose of this study was to apply this assay to determining the genotoxicity of the compounds from a wide variety of structural classes. Male Fischer-334 rats were treated by gavage or ip injection with compounds dissolved in either corn oil, water, or dimethyl sulfoxide (DMSO). At selected times after treatment, hepatocytes were isolated by liver perfusion and cultured with 3H-thymidine, Unscheduled DNA synthesis (UDS) was measured by quantitative autoradiography as net grains/nucleus (NG); greater than or equal to 5 NG was considered positive. Water, corn oil, or DMSO controls produced -3 to -6 NG with less than or equal to 6% of the cells in repair. All genotoxic hepatocarcinogens tested produced strong positive responses of greater than 15 NG including dimethylnitrosamine, 2-acetylaminofluorene (2-AAF), azoxymethane, 1,2-dimethylhydrazine, benzidine, aflatoxin B1, 2,6-dinitrotoluene, and 2,4-diaminotoluene. The noncarcinogen, 2,6-diaminotoluene, was negative. The mutagen and rat brain carcinogen methyl methanesulfonate (MMS) and the rat pancreatic carcinogen azaserine were also positive. The carcinogens benzo(a)pyrene and 7,12-dimethylbenz(a)anthracene yielded from -2 to -4 NG. This negative response is consistent with their lack of carcinogenic activity in rat liver. MMS produced the greatest amount of UDS 2 hr after treatment whereas 2-AAF did not induce its maximum response until 12 hr post-treatment. The potent hepatotoxin carbon tetrachloride induced a 40-fold elevation in DNA replication 48 hr after a 400 mg/kg dose, but no UDS was observed at 2, 12, 24, or 48 hr post-treatment. The weak hepatocarcinogen safrole induced no UDS suggesting that it is either nongenotoxic or is metabolized to an active form at an extremely slow rate following a single administration. These results demonstrate that this assay is

  20. HEAVY METALS CONTAMINATION OF TOPSOIL AND ...

    African Journals Online (AJOL)

    a

    Average topsoil metal concentrations (0-10 cm) in auto-repair workshop areas ...... States Environmental Protection Agency (USEPA) with a carcinogenicity classification A ... Mellor, A.; Bevan, J.R. Water, Air, and Soil Pollution 1999, 112, 327.

  1. Empirical evaluation of metal deposition for the analysis of organic compounds with static secondary ion mass spectrometry (S-SIMS)

    Science.gov (United States)

    De Mondt, R.; Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Van Vaeck, L.; Gijbels, R.

    2006-07-01

    Metal-assisted (MetA) SIMS using the deposition of a thin Au or Ag layer on non-conducting samples prior to analysis has been advocated as a means to improve the secondary ion (S.I.) yields of organic analytes. This study focuses on the influence of time and temperature on the yield enhancement in MetA-SIMS using thick layers of poly(vinylbutyral- co-vinylalcohol- co-vinylacetate) (PVB) containing dihydroxybenzophenone (DHBPh) or a cationic carbocyanine dye (CBC) and spin-coated layers of the cationic dye on Si. Pristine samples as well as Au- and Ag-coated ones were kept between -8 °C and 80 °C and analysed with S-SIMS at intervals of a few days over a period of 1 month. The yield enhancement was found to depend strongly on the kind of evaporated metal, the storage temperature and time between coating and analysis.

  2. Use of in silico models for prioritization of heat-induced food contaminants in mutagenicity and carcinogenicity testing.

    Science.gov (United States)

    Frenzel, Falko; Buhrke, Thorsten; Wenzel, Irina; Andrack, Jennifer; Hielscher, Jan; Lampen, Alfonso

    2017-01-16

    Numerous Maillard reaction and lipid oxidation products are present in processed foods such as heated cereals, roasted meat, refined oils, coffee, and juices. Due to the lack of experimental toxicological data, risk assessment is hardly possible for most of these compounds. In the present study, an in silico approach was employed for the prediction of the toxicological endpoints mutagenicity and carcinogenicity on the basis of the structure of the respective compound, to examine (quantitative) structure-activity relationships for more than 800 compounds. Five software tools for mutagenicity prediction (T.E.S.T., SARpy, CAESAR, Benigni-Bossa, and LAZAR) and three carcinogenicity prediction tools (CAESAR, Benigni-Bossa, and LAZAR) were combined to yield so-called mutagenic or carcinogenic scores for every single substance. Alcohols, ketones, acids, lactones, and esters were predicted to be mutagenic and carcinogenic with low probability, whereas the software tools tended to predict a considerable mutagenic and carcinogenic potential for thiazoles. To verify the in silico predictions for the endpoint mutagenicity experimentally, twelve selected compounds were examined for their mutagenic potential using two different validated in vitro test systems, the bacterial reverse mutation assay (Ames test) and the in vitro micronucleus assay. There was a good correlation between the results of the Ames test and the in silico predictions. However, in the case of the micronucleus assay, at least three substances, 2-amino-6-methylpyridine, 6-heptenoic acid, and 2-methylphenol, were clearly positive although they were predicted to be non-mutagenic. Thus, software tools for mutagenicity prediction are suitable for prioritization among large numbers of substances, but these predictions still need experimental verification.

  3. Molecular characterization of aromatic compound and heavy metal detoxification systems in thermophilic microorganisms: impact on biomonitoring and bioremediation.

    OpenAIRE

    Del Giudice, Immacolata

    2013-01-01

    Both arsenic and aromatic compounds are naturally present in the environment but human activities, such as the chemical and pharmaceutical industries, use of fossil fuels and pesticides, have contributed to their anomalous accumulation in the biosphere, determining severe damages to all living organisms. Many microorganisms possess tuned mechanisms for sensing the level of pollutants in their growth environment and controlling intracellular concentrations according to their biochemical needs....

  4. Structure determination of a novel metal-organic compound synthesized from aluminum and 2,5-pyridinedicarboxylic acid

    DEFF Research Database (Denmark)

    Ståhl, Kenny; Brink, Bastian; Andersen, Jonas

    2011-01-01

    The structure of [Al2(pydc)2(μ2-OH)2(H2O)2]n(pydc=2,5-pyridinedicarboxylate) was successfully determined from powder X-ray diffraction data. The compound crystallizes in the triclinic system (space group P -1) with a=6.7813(1) A° , b=7.4944(1) A°, c=8.5013(1) A° , α=95.256(1)°, β=102.478(1)°, γ=1...

  5. Metallic nickel nano- and fine particles induce JB6 cell apoptosis through a caspase-8/AIF mediated cytochrome c-independent pathway

    Directory of Open Access Journals (Sweden)

    Castranova Vincent

    2009-04-01

    Full Text Available Abstract Background Carcinogenicity of nickel compounds has been well documented. However, the carcinogenic effect of metallic nickel is still unclear. The present study investigates metallic nickel nano- and fine particle-induced apoptosis and the signal pathways involved in this process in JB6 cells. The data obtained from this study will be of benefit for elucidating the pathological and carcinogenic potential of metallic nickel particles. Results Using 3-(4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide (MTT assay, we found that metallic nickel nanoparticles exhibited higher cytotoxicity than fine particles. Both metallic nickel nano- and fine particles induced JB6 cell apoptosis. Metallic nickel nanoparticles produced higher apoptotic induction than fine particles. Western-blot analysis showed an activation of proapoptotic factors including Fas (CD95, Fas-associated protein with death domain (FADD, caspase-8, death receptor 3 (DR3 and BID in apoptotic cells induced by metallic nickel particles. Immunoprecipitation (IP western blot analysis demonstrated the formation of the Fas-related death-inducing signaling complex (DISC in the apoptotic process. Furthermore, lamin A and beta-actin were cleaved. Moreover, we found that apoptosis-inducing factor (AIF was up-regulated and released from mitochondria to cytoplasm. Interestingly, although an up-regulation of cytochrome c was detected in the mitochondria of metallic nickel particle-treated cells, no cytochrome c release from mitochondria to cytoplasm was found. In addition, activation of antiapoptotic factors including phospho-Akt (protein kinase B and Bcl-2 was detected. Further studies demonstrated that metallic nickel particles caused no significant changes in the mitochondrial membrane permeability after 24 h treatment. Conclusion In this study, metallic nickel nanoparticles caused higher cytotoxicity and apoptotic induction than fine particles in JB6 cells. Apoptotic cell death

  6. Potential health risks related to carcinogens in the atmospheric environment in India.

    Science.gov (United States)

    Gurjar, B R; Mohan, M; Sidhu, K S

    1996-10-01

    In India, rapid urbanization and industrialization have contributed positively toward meeting the materialistic needs of the citizens, but have also resulted in contamination of the atmospheric environment. This paper deals with the assessment of potential health risks posed by carcinogenic substances, namely cadmium, chromium, and nickel, present in certain atmospheric environments in India. Average air concentrations of these carcinogenic metals have been assessed for different states and regions of India (C. R. Krishnamurti and P. Vishwanathan, Toxic Metals in the Indian Environment, Tata/McGraw-Hill, New Delhi, 1991). Based on these assessments, both individual and societal risks have been estimated in different states of the country, and comparisons were made. Reported concentration, release sources, potential health risks including cancer risk estimates, and ambient air interim guidelines are discussed. The reported environmental releases and cancer risk from cadmium are minimal. There is a potential for increased respiratory cancer risk from exposure to chromium and nickel in some northern Indian states. These metals are irritants to nasal passages and the respiratory tract. Chromium is also corrosive to mucus membranes. They have the potential to cause chronic respiratory problems. Since it appears that these metals may cause some adverse health effects in humans, exposure to these ambient air pollutants should be minimized by managing the release of these contaminants to the environment. There is a need for the development and strict enforcement of national and state regulatory standards.

  7. Biomonitoring human exposure to environmental carcinogenic chemicals

    DEFF Research Database (Denmark)

    Farmer, P.B.; Sepai, O.; Lawrence, R.

    1996-01-01

    aberrations and sister chromatid exchanges) and mutation frequency was estimated at a number of loci including the hprt gene and genes involving in cancer development. Blood and urine samples from individuals exposed to urban pollution were collected. Populations exposed through occupational or medical......A coordinated study was carried out on the development, evaluation and application of biomonitoring procedures for populations exposed to environmental genotoxic pollutants. The procedures used involved both direct measurement of DNA or protein damage (adducts) and assessment of second biological...... for detecting carcinogen-induced damage to DNA and proteins, and subsequent biological effects. These methods were validated with the occupational exposures, which showed evidence of DNA and/or protein and/or chromosome damage in workers in a coke oven plant, garage workers exposed to diesel exhaust and workers...

  8. Workshop on problem areas associated with developing carcinogen guidelines

    Energy Technology Data Exchange (ETDEWEB)

    1984-06-01

    A workshop was conducted to discuss problem areas associated with developing carcinogen guidelines. Session topics included (1) definition of a carcinogen for regulatory purposes; (2) potency; (3) risk assessment; (4) uncertainties; (5) de minimis quantity; and (6) legal and regulatory issues. Separate abstracts have been prepared for individual papers. (ACR)

  9. Nafion-Induced Metal-Metal Interactions in a Platinum(Ⅱ) Terpyridyl Acetylide Complex:a Luminescent Sensor for Detection of Volatile Organic Compounds

    Institute of Scientific and Technical Information of China (English)

    TONG,Qing-Xiao(佟庆笑); LI,Xiao-Hong(李晓红); WU,Li-Zhu(吴骊珠); YANG,Qing-Zheng(杨清正); ZHANG,Li-Ping(张丽萍); TUNG,Chen-Ho(佟振合)

    2004-01-01

    The platinum(Ⅱ) terpyridyl acetylide complex [Pt(terpy)(C≡CR)]C1O4 (terpy=2,2′: 6′2″-terpyridine, R=CH2CH2CH3) (1) was incorporated into Nafion membranes. At high loading the dry membranes exhibit intense photoluminescence with λmax at 707 nm from the 3MMLCT state, which was not observed in fluid solution. Upon exposure to the vapor of polar volatile organic compounds (VOC), this photoluminescence was significantly red-shifed. This process was fully reversible when the VOC-incorporated membrane was dried in air. The dramatic and reversible changes in the emission spectra made the Nafion-supported complex as an interesting sensor candidate for polar VOC.

  10. First-principles and Monte Carlo studies on the magnetic stability of half-metallic zinc-blende CaC and similar compounds

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Shengjie [Department of Physics, Tianjin Normal University, Tianjin 300387 (China); Ding, Hang-Chen [Key Laboratory of Polar Materials and Devices, East China Normal University, Shanghai 200062 (China); Zhou, Baozeng [Department of Applied Physics, Faculty of Science, Tianjin University, Tianjin 300072 (China); Duan, Chun-Gang [Key Laboratory of Polar Materials and Devices, East China Normal University, Shanghai 200062 (China); National Laboratory for Infrared Physics, Chinese Academy of Sciences, Shanghai 200083 (China); Wu, Ping [Department of Applied Physics, Faculty of Science, Tianjin University, Tianjin 300072 (China); Zhao, Hui, E-mail: naihuizhao@gmail.com [Department of Physics, Tianjin Normal University, Tianjin 300387 (China)

    2015-03-15

    Using the first-principles calculation based on density functional theory and Monte Carlo simulation within the Heisenberg Hamiltonian, we have investigated the magnetic stability at finite pressure and temperature of CaC and some other selected hypothetical II{sup A}–IV{sup A} compounds with the zinc-blende crystal structure. The results from simulated external pressure and temperature test indicate that the magnetic stability is dependent on the variation in atomic number of anion or cation element. Additionally, the origin of sp magnetism is mentioned briefly in this work and the dependence of Curie temperature on the volume is also discussed. First-principles computational charge-injection test show that the magnetization of these sp compounds originates in the spin polarization of the p shell of anions. For CaC, the exchange parameter J{sub 1} of the Heisenberg Hamiltonian depends strongly on the lattice constant, while the J{sub 2} and J{sub 3} are weakly dependent on the lattice constant. Moreover, discussion of volume-conserving deformations for CaC further demonstrates the stability of ferromagnetism and half metallicity for the compounds. - Highlights: • CaC and some other compounds with the zinc-blende crystal structure. • The first-principles calculation and Monte Carlo simulation within the Heisenberg Hamiltonian. • The magnetic stability is dependent on the variation in atomic number of anion or cation element. • The magnetic properties depend on the deformation of the lattice. • The normalized magnetic moment and specific heat capacity as a function of temperature.

  11. Resistance to Antibiotics, Biocides, Preservatives and Metals in Bacteria Isolated from Seafoods: Co-Selection of Strains Resistant or Tolerant to Different Classes of Compounds

    Science.gov (United States)

    Romero, José L.; Grande Burgos, María J.; Pérez-Pulido, Rubén; Gálvez, Antonio; Lucas, Rosario

    2017-01-01

    Multi-drug resistant bacteria (particularly those producing extended-spectrum β-lactamases) have become a major health concern. The continued exposure to antibiotics, biocides, chemical preservatives, and metals in different settings such as the food chain or in the environment may result in development of multiple resistance or co-resistance. The aim of the present study was to determine multiple resistances (biocides, antibiotics, chemical preservatives, phenolic compounds, and metals) in bacterial isolates from seafoods. A 75.86% of the 87 isolates studied were resistant to at least one antibiotic or one biocide, and 6.90% were multiply resistant to at least three biocides and at least three antibiotics. Significant (P isolates selected according to antimicrobial resistance profile and food type were identified by 16S rDNA sequencing and tested for copper and zinc tolerance. Then, the genetic determinants for biocide and metal tolerance and antibiotic resistance were investigated. The selected isolates were identified as Pseudomonas (63.33%), Acinetobacter (13.33%), Aeromonas (13.33%), Shewanella, Proteus and Listeria (one isolate each). Antibiotic resistance determinants detected included sul1 (43.33% of tested isolates), sul2 (6.66%), blaTEM (16.66%), blaCTX−M (16.66%), blaPSE (10.00%), blaIMP (3.33%), blaNDM−1 (3.33%), floR (16.66%), aadA1 (20.0%), and aac(6′)-Ib (16.66%). The only biocide resistance determinant detected among the selected isolates was qacEΔ1 (10.00%). A 23.30 of the selected isolates were able to grow on media containing 32 mM copper sulfate, and 46.60% on 8 mM zinc chloride. The metal resistance genes pcoA/copA, pcoR, and chrB were detected in 36.66, 6.66, and 13.33% of selected isolates, respectively. Twelve isolates tested positive for both metal and antibiotic resistance genes, including one isolate positive for the carbapenemase gene blaNDM−1 and for pcoA/copA. These results suggest that exposure to metals could co-select for

  12. Concentrations of metals and potential metal-binding compounds and speciation of Cd, Zn and Cu in phloem and xylem saps from castor bean plants (Ricinus communis) treated with four levels of cadmium.

    Science.gov (United States)

    Hazama, Kenji; Nagata, Shinji; Fujimori, Tamaki; Yanagisawa, Shuichi; Yoneyama, Tadakatsu

    2015-06-01

    We examined the concentrations of metals (Cd, Zn, Cu, Fe and Mn) and potential metal-binding compounds [nicotianamine (NA), thiol compounds and citrate] in xylem and phloem saps from 4-week-old castor bean plants (Ricinus communis) treated with 0 (control), 0.1, 1.0, and 10 μM Cd for 3 weeks. Treatment with 0.1 and 1 μM Cd produced no visible damage, while 10 μM Cd retarded growth. Cadmium concentrations in both saps were higher than those in the culture solution at 0.1 μM, similar at 1.0 μM and lower at 10 μM. Cd at 10 μM reduced Cu and Fe concentrations in both saps. NA concentrations measured by capillary electrophoresis-mass spectrometry (MS) in xylem sap (20 μM) were higher than the Cu concentrations, and those in phloem sap (150 μM) were higher than those of Zn, Fe and Cu combined. Reduced glutathione concentrations differed in xylem and phloem saps (1-2 and 30-150 μM, respectively), but oxidized glutathione concentrations were similar. Phloem sap phytochelatin 2 concentration increased from 0.8 μM in controls to 8 μM in 10 μM Cd. Free citrate was 2-4 μM in xylem sap and 70-100 μM in phloem sap. Total bound forms of Cd in phloem and xylem saps from 1 μM Cd-treated plants were 54 and 8%, respectively. Treatment of phloem sap with proteinaseK reduced high-molecular compounds while increasing fractions of low-molecular Cd-thiol complexes. Zinc-NA, Fe-NA and Cu-NA were identified in the phloem sap fraction of control plants by electrospray ionization time-of-flight MS, and the xylem sap contained Cu-NA.

  13. Pressure-induced metal-insulator transition in spinel compound CuV{sub 2}S{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Okada, H. [High Field Laboratory for Superconducting Materials, Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)], E-mail: hironari@imr.tohoku.ac.jp; Koyama, K. [High Field Laboratory for Superconducting Materials, Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Hedo, M. [Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Uwatoko, Y. [Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan); Watanabe, K. [High Field Laboratory for Superconducting Materials, Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2008-04-01

    In order to investigate the pressure effect on electrical properties of CuV{sub 2}S{sub 4}, we performed the electrical resistivity measurements under high pressures up to 8 GPa for a high-quality polycrystalline sample. The charge density wave (CDW) transition temperatures increase with increasing pressure. The residual resistivity rapidly increases with increasing pressure over 4 GPa, and the temperature dependence of the electrical resistivity at 8 GPa exhibits a semiconducting behavior below about 150 K, indicating that a pressure-induced metal-insulator transition occurs in CuV{sub 2}S{sub 4} at 8 GPa.

  14. Carcinogenic Aspects of Protein Phosphatase 1 and 2A Inhibitors

    Science.gov (United States)

    Fujiki, Hirota; Suganuma, Masami

    Okadaic acid is functionally a potent tumor promoter working through inhibition of protein phosphatases 1 and 2A (PP1 and PP2A), resulting in sustained phosphorylation of proteins in cells. The mechanism of tumor promotion with oka-daic acid is thus completely different from that of the classic tumor promoter phorbol ester. Other potent inhibitors of PP1 and PP2A - such as dinophysistoxin-1, calyculins A-H, microcystin-LR and its derivatives, and nodularin - were isolated from marine organisms, and their structural features including the crystal structure of the PP1-inhibitor complex, tumor promoting activities, and biochemical and biological effects, are here reviewed. The compounds induced tumor promoting activity in three different organs, including mouse skin, rat glandular stomach and rat liver, initiated with three different carcinogens. The results indicate that inhibition of PP1 and PP2A is a general mechanism of tumor promotion applicable to various organs. This study supports the concept of endogenous tumor promoters in human cancer development.

  15. Polyoxometalate-based organic-inorganic hybrid compounds containing transition metal mixed-organic-ligand complexes of N-containing and pyridinecarboxylate ligands.

    Science.gov (United States)

    Zhao, De-Chuan; Hu, Yang-Yang; Ding, Hong; Guo, Hai-Yang; Cui, Xiao-Bing; Zhang, Xiao; Huo, Qi-Sheng; Xu, Ji-Qing

    2015-05-21

    Five new organic–inorganic hybrid compounds based on the Keggin-type polyoxoanion [SiW12O40]4−, namely [Cu3(2,2′-bpy)3(inic)(μ2-OH)(H2O)][SiW12O40]·2H2O (1), [Cu6(phen)6(μ3-Cl)2(μ2-Cl)2Cl2(inic)2][SiW12O40]·6H2O (2), [Cu2(hnic)(2,2′-bpy)2Cl]2[H2SiW12O40] (3), [Cu2(nic)(phen)2Cl2]2[SiW12O40] (4) and [Cu2(pic)(2,2′-bpy)2Cl]2[SiW12O40] (5) (inic = isonicotinic acid, hnic = 2-hydroxy-nicotinic acid, nic = nicotinic acid, pic = picolinic acid, 2,2′-bpy = 2,2′-bipyridine, phen = 1,10-phenanthroline) have been synthesized and characterized by IR, UV-Vis, XPS, XRD, cyclic voltammetric measurements, photoluminescence analysis and single crystal X-ray diffraction analysis. Crystal analysis reveals that compound 1 exhibits a 2-D double layered framework structure constructed from [SiW12O40]4− and copper-aqua-2,2′-bipy-hydroxyl-isonicotinate complexes. Compound 2 is a 0-D discrete structure formed by [SiW12O40]4− and copper-chloro-isonicotinate-phenanthroline complexes. Compound 3 shows a 1-D single chain structure based on the linkage of copper-2,2-bpy-chloro-2-hydroxy-nicotinate complexes and [SiW12O40]4−. Compounds 4 and 5 both contain polyoxometalate supported transition metal complexes, one is a polyoxometalate supported copper-chloro-nicotinate-phenanthroline complex in 4, and the other is a polyoxometalate supported copper-2,2-bpy-chloro-nicotinate complex in 5. It should be noted that nicotinic, isonicotinic and picolinic acids are structural isomers and 2-hydroxy-nicotinic acid is an in situ hydroxylated product of nicotinic acid. In addition, photocatalytic degradation of Rhodamine B (RhB) by compounds 1–5 has been investigated in aqueous solutions.

  16. FINAL TECHNICAL REPORT Synthetic, Structural and Mechanistic Investigations of Olefin Polymerization Catalyzed by Early Transition Metal Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Bercaw, John E. [California Institute of Technology

    2014-05-23

    The goal of this project is to develop new catalysts and provide understanding of ligand effects on catalyst composition in order to guide development of superior catalyst systems for polymerization of olefins. Our group is designing and synthesizing new “LX2”,“pincer” type ligands and complexing early transition metals to afford precatalysts. In a collaboration with Hans Brintzinger from the University of Konstanz, we are also examining the structures of the components of catalyst systems obtained from reaction of zirconocene dichlorides with aluminum alkyls and aluminum hydrides. Such systems are currently used commercially to produce polyolefins, but the nature of the active and dormant species as well as the mechanisms of their interconversions are not understood. New information on catalyst design and performance may lead to new types of polymers and/or new chemical transformations between hydrocarbons and transition metal centers, ultimately contributing to the development of catalytic reactions for the production of fuels, commodity and polymeric materials.

  17. Hepatic gene mutations induced in Big Blue rats by both the potent rat liver azo-carcinogen 6BT and its reported noncarcinogenic analogue 5BT.

    Science.gov (United States)

    Fletcher, K; Soames, A R; Tinwell, H; Lefevre, P A; Ashby, J

    1999-01-01

    The potent rat liver carcinogen 6-p-dimethylaminophenylazobenzthiazole (6BT) and its reported noncarcinogenic analogue 5-p-dimethylaminophenylazobenzthiazole (5BT; evaluated for carcinogenicity under the similar limited bioassay conditions used for 6BT) have been studied in order to seek an explanation for their different carcinogenic activities. Both compounds act as DNA-damaging agents to the rat liver, and both have now been shown to induce lacI (-) gene mutations in the liver of Big Blue(trade mark) transgenic rats. Both compounds were mutagenic following ten daily gavage doses or following administration in diet for 10 days. Neither chemical induced cell proliferation in the liver following repeat gavage administrations. In contrast, dietary administration of 6BT, and to a lesser extent of 5BT, induced hepatic cell proliferation. The carcinogen 6BT, but not the noncarcinogen 5BT, caused proliferation of oval stem cells in the livers by both routes of administration. It is possible that mutations induced in oval cells by 6BT are responsible for its potent carcinogenicity, and that the comparative absence of these cells in 5BT-treated livers may account for the carcinogenic inactivity of 5BT. Equally, the proliferation of the oval cells may reflect changes in liver homeostasis associated with the liver toxicity observed at the dose level of 6BT used (which was, nonetheless, the dose level used in the positive cancer bioassays). It is concluded that the new data presented cannot explain the differing carcinogenic activities of 5BT and 6BT, and that the reported noncarcinogen 5BT may also be carcinogenic when adequately assessed for this activity.

  18. Hybrid Photonic Cavity with Metal-Organic Framework Coatings for the Ultra-Sensitive Detection of Volatile Organic Compounds with High Immunity to Humidity

    Science.gov (United States)

    Tao, Jifang; Wang, Xuerui; Sun, Tao; Cai, Hong; Wang, Yuxiang; Lin, Tong; Fu, Dongliang; Ting, Lennon Lee Yao; Gu, Yuandong; Zhao, Dan

    2017-01-01

    Detection of volatile organic compounds (VOCs) at parts-per-billion (ppb) level is one of the most challenging tasks for miniature gas sensors because of the high requirement on sensitivity and the possible interference from moisture. Herein, for the first time, we present a novel platform based on a hybrid photonic cavity with metal-organic framework (MOF) coatings for VOCs detection. We have fabricated a compact gas sensor with detection limitation ranging from 29 to 99 ppb for various VOCs including styrene, toluene, benzene, propylene and methanol. Compared to the photonic cavity without coating, the MOF-coated solution exhibits a sensitivity enhancement factor up to 1000. The present results have demonstrated great potential of MOF-coated photonic resonators in miniaturized gas sensing applications.

  19. Interplay of metals and bromine with dioxin-related compounds concentrated in e-waste open burning soil from Agbogbloshie in Accra, Ghana.

    Science.gov (United States)

    Fujimori, Takashi; Itai, Takaaki; Goto, Akitoshi; Asante, Kwadwo A; Otsuka, Masanari; Takahashi, Shin; Tanabe, Shinsuke

    2016-02-01

    Open burning of electronic waste (e-waste) releases various metals and organohalogen compounds in the environment. Here we investigated the interplay of metals (Cu, Pb, Zn, Fe, Co, and Sr) and bromine (Br) in the formation of dioxin-related compounds (DRCs), including polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs), as well as non-regulated DRCs such as polybrominated dibenzo-p-dioxins/furans (PBDD/Fs) and their monobrominated PCDD/Fs in soils sampled from open burning e-waste sites at Agbogbloshie in Accra, Ghana. The predominant DRCs were PBDFs, PCDFs, PCDDs, and DL-PCBs. Statistical analyzes, X-ray absorption spectroscopy, and the PCDF/PCDD ratio suggested possible formation paths of PCDD/Fs and DL-PCBs by catalytic behaviors of copper chlorides (CuCl, CuCl2, and Cu2(OH)3Cl) and thermal breakdown of polyvinyl chloride. Predominant formation of brominated furans may be derived from electron transfer from intermediates of PBDE to copper, Cu(II) → Cu(I). Lead chloride also contributed to generate DRCs and may become highly bioaccessible through the open burning of e-waste. The main zinc species (ZnCl2 and ZnS) suggested a possible relationship to generate DRCs and specific zinc source such as tire burning. Cu, Pb, Zn, and Br contained in various e-wastes, wires/cables, plastics, and tires strongly influenced generation of many DRCs.

  20. Prediction of half-metallic ferromagnetism (HMF) in hypothetical Heusler compound Co{sub 2}VSb using modified Becke Johnson (mBJ) potential

    Energy Technology Data Exchange (ETDEWEB)

    Rai, D.P., E-mail: dibyaprakashrai@gmail.com [Beijing Computational Science Research Center, Heqing Rd. 3, Beijing 100084 (China); Maibam, J. [Department of Physics, Manipur University, Canchipur 795003 (India); Sharma, B.I. [Department of Physics, Assam University, Silchar 788 011 (India); Shankar, A.; Sandeep,; Thapa, R.K. [Department of Physics, Mizoram University, Aizawl 796004 (India); Ke, San Huang [Beijing Computational Science Research Center, Heqing Rd. 3, Beijing 100084 (China); Key Laboratory of Advanced Microstructure Materials, MOE, Dept. of Physics, Tongji University, 1239 Siping Rd. Shanghai 200092 (China)

    2014-03-15

    Highlights: • Half-metallic ferromagnetism were studied using GGA, LSDA+U and mBJ. • The calculated magnetic moment of 4.00 μ{sub B} (LSDA+U and mBJ). • mBJ is more effective to band gap calculation as compare to others. -- Abstract: In search of half-metallic ferromagnetism, we have studied the electronic and magnetic properties of Co{sub 2}VSb by using the different tools like GGA, LSDA+U and mBJ potential based on density functional theory (DFT). The compound Co{sub 2}VSb is analogous to Co{sub 2}VAl, Co{sub 2}VSn and Co{sub 2}VGa , these compounds were studied theoretically and experimentally by Buschow and Engen. We expect the similar kind of properties from Co{sub 2}VSb as that of Co{sub 2}VAl, Co{sub 2}VSn and Co{sub 2}VGa. The mBJ potential is considered to be more effective as compared to LDA and GGA which gives higher value of band gap. The theoretical lattice constant obtained from volume optimization is 6.072 Å. The calculated value of energy gaps was found to be 0.20 eV, 1.00 eV and 1.30 eV for GGA, LSDA+U and mBJ respectively. Our results of band gap calculation predicts that mBJ overestimate the results of GGA, LSDA and LSDA+U.

  1. Meeting report on 8th International Symposium on Platinum and Other Metal Coordination Compounds in Cancer Chemotherapy.

    Science.gov (United States)

    Kelland, L R

    1999-10-01

    The platinum-based drugs, cisplatin and carboplatin, represent major agents in the chemotherapeutic treatment of a variety of types of cancer. Novel, "third-generation" agents aimed at broadening the clinical activity of this class of drug are currently undergoing clinical evaluation. These include oxaliplatin, ZD0473 and BBR3464. Clinical trials and preclinical studies are also being conducted with liposomal (SPI-077 and L-NDDP) and polymeric platinum complexes (linked to HPMA or albumin). Combination studies of cisplatin/carboplatin with other anticancer drugs such as gemcitabine and UCN-01 (7-hydroxystaurosporine) and agents designed to reduce platinum drug toxicities (e.g., BNP-7787, DIMESNA) are ongoing. Preclinically, there is interest in trans platinum complexes, terpyridine platinum(II) complexes and other metal-containing agents (ruthenium and gold).

  2. Carbon based magnetism an overview of the magnetism of metal free carbon-based compounds and materials

    CERN Document Server

    Makarova, Tatiana

    2006-01-01

    Magnetism is one of the most intriguing phenomena observed in nature. Magnetism is relevant to physics and geology, biology and chemistry. Traditional magnets, an ubiquitous part of many everyday gadgets, are made of heavy iron- or nickel based materials. Recently there have been reports on the observation of magnetism in carbon, a very light and biocompatible element. Metal-free carbon structures exhibiting magnetic ordering represent a new class of materials and open a novel field of research that could lead to many new technologies. · The most complete, detailed, and accurate Guide in the magnetism of carbon · Dynamically written by the leading experts · Deals with recent scientific highlights · Gathers together chemists and physicists, theoreticians and experimentalists · Unified treatment rather than a series of individually authored papers · Description of genuine organic molecular ferromagnets · Unique description of new carbon materials with Curie temperatures well above ambient.

  3. Surface Properties of Unintentionally Doped GaN Film and Its Contact Behaviour with Ni/Cr/Au Compound Metals

    Institute of Scientific and Technical Information of China (English)

    苑进社; 陈光德; 齐鸣; 李爱珍; 谢伦军

    2003-01-01

    The surface properties of GaN films grown by plasma-assisted molecular beam epitaxy were investigated by using x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy, while the depth profile was analysed by the Ar ion sputtering method. The contaminants carbon and silicon are chiefly adsorbed onto the surface while oxygen and aluminium diffuse into the bulk to distribute in a certain depth. The mixture oxides is roughly 0.1 μm in thickness. Based on the analytical results of XPS of the GaN films, the Ni/Cr/Au interdigital metalsemiconductor-metal (MSM) structure has been fabricated. It has been found that the contact behaviour of the Ni/Cr/Au/undoped GaN exhibits a linear Ⅰ-Ⅴ characteristic under dark and 362-nm light excitation without annealing treatment. The lower resistance of the MSM structure has also been observed.

  4. Heavy metals and organic compounds contamination in soil from an e-waste region in South China.

    Science.gov (United States)

    Liu, Ming; Huang, Bo; Bi, Xinhui; Ren, Zhaofang; Sheng, Guoying; Fu, Jiamo

    2013-05-01

    Heavy metals and persistent organic pollutants polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) were analyzed in 34 surface soil samples collected from farmland and 7 soil or dust samples collected from the workshops in South China, where e-waste was dismantled using primitive techniques. The results show that Cd, Cu and Hg were the most abundant metals, in particular Cd pollution was serious in farmland soils, and the median concentrations in farmland soils were beyond the environmental quality standard for soils (China Grade II). A correlation between Cd, Cu, Zn, Pb and PCBs or PBDEs was significant indicating similar sources. Among the PCB congeners, high relative similarity was observed between the e-waste dump site soil (EW1) and Aroclor 1254, implying that the technical product Aroclor 1254 was one of the major sources of PCB contamination. High concentrations of PCBs in workshop dusts (D2 and D3) (1958 and 1675 μg kg(-1)) demonstrated that the workshops dismantling electrical wires and cables, electrical motors, compressors and aluminum apparatus containing PCBs in lubricants represent strong PCB emission sources to this area. Principal component analysis (PCA) and PBDE homologue patterns verify that farmland soils surrounding the e-waste recycling sites were enriched with lower brominated congeners, and the major source of PBDEs in dust samples might potentially be associated with the extensive use of deca-mix technical products as a flame retardant. The difference between e-waste soils, dusts and farmland soils can be observed in the PCA score plot of PCBs and PBDEs, and E-waste soils and dusts exhibited more diversity than farmland soils. Furthermore, a prediction of the particular kinds of pollution from different recycling activities through the analysis of each contamination and the connections between them was investigated.

  5. An estimation of the carcinogenic risk associated with the intake of multiple relevant carcinogens found in meat and charcuterie products.

    Science.gov (United States)

    Hernández, Ángel Rodríguez; Boada, Luis D; Almeida-González, Maira; Mendoza, Zenaida; Ruiz-Suárez, Norberto; Valeron, Pilar F; Camacho, María; Zumbado, Manuel; Henríquez-Hernández, Luis A; Luzardo, Octavio P

    2015-05-01

    Numerous epidemiological studies have demonstrated a link between excessive meat consumption and the incidence of various cancers, especially colorectal cancer, and it has been suggested that environmental carcinogens present in meat might be related to the increased risk of cancer associated with this food. However, there are no studies evaluating the carcinogenic potential of meat in relation to its content of carcinogens. Our purpose was to emphasize the relevance of environmental carcinogens existing in meat as a determinant of the association between cancer and meat consumption. Because within Europe, Spain shows high consumption of meat and charcuterie, we performed this study focusing on Spanish population. Based on the preferences of consumers we acquired 100 samples of meat and charcuterie that reflect the variety available in the European market. We quantified in these samples the concentration of 33 chemicals with calculated carcinogenic potential (PAHs, organochlorine pesticides, and dioxin-like PCBs). The carcinogenic risk of these contaminants was assessed for each food using a risk ratio based on the current consumption of meat and charcuterie and the maximum tolerable intake of these foods depending on the level of contamination by the carcinogens they contain. Our results indicate that the current consumption of beef, pork, lamb, chicken, and "chorizo", represents a relevant carcinogenic risk for consumers (carcinogenic risk quotient between 1.33 and 13.98). In order to reduce carcinogenic risk, the study population should halve the monthly consumption of these foods, and also not to surpass the number of 5 servings of beef/pork/chicken (considered together). Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Benchmark Results and Theoretical Treatments for Valence-to-Core X-ray Emission Spectroscopy in Transition Metal Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Mortensen, Devon R.; Seidler, Gerald T.; Kas, Joshua J.; Govind, Niranjan; Schwartz, Craig; Pemmaraju, Das; Prendergast, David

    2017-09-20

    We report measurement of the valence-to-core (VTC) region of the K-shell x-ray emission spectra from several Zn and Fe inorganic compounds, and their critical comparison with several existing theoretical treatments. We find generally good agreement between the respective theories and experiment, and in particular find an important admixture of dipole and quadrupole character for Zn materials that is much weaker in Fe-based systems. These results on materials whose simple crystal structures should not, a prior, pose deep challenges to theory, will prove useful in guiding the further development of DFT and time-dependent DFT methods for VTC-XES predictions and their comparison to experiment.

  7. [Design and synthesis of imine compound for metal cation logical gates recognition and setup of double-control fluorescent molecule switch].

    Science.gov (United States)

    Huang, Tao; Zhu, Yu-lian; Dai, Xue-qin; Zhang, Qi; Huang, Yan

    2011-07-01

    The Schiff base's reduced product N,N-bis(4-methoxybenzyl) ethane-1,2-diamine, which was used as a receptor L, was designed and synthesized for the first time in the present article. It was found that Cu2+ and Fe3+ could quench L in fluorescence observably and Zn2+ and Cd2+ could enhance L remarkably. So the two pair metal cation could set up "OR" logical gate relation with the receptor molecule L, then a logical recognition system be formed. The data of resolved ZnL's single crystal indicated that ZnL belonged to monoclinic (CCDC No. 747994). Integrated spectrum instrument was used to characterize the structure of its alike series of complex compound. According to ZnL's excellent fluorescence character and the ability to exchange with contiguous metal cation, ZnZ+/ZnL/Co2+, Zn2+/ZnL/Nit+ fluorescent molecule switch was designed. It is hoped that the work above could be positive for the development of molecule computer, bio-intellectualized inspection technology (therapy) and instrument.

  8. Completely compensated ferrimagnetism and sublattice spin crossing in the half-metallic Heusler compound Mn1.5FeV0.5Al

    Science.gov (United States)

    Stinshoff, Rolf; Nayak, Ajaya K.; Fecher, Gerhard H.; Balke, Benjamin; Ouardi, Siham; Skourski, Yurii; Nakamura, Tetsuya; Felser, Claudia

    2017-02-01

    The Slater-Pauling rule states that L 21 Heusler compounds with 24 valence electrons never exhibit a total spin magnetic moment. In the case of strongly localized magnetic moments at one of the atoms (here Mn) they will exhibit a fully compensated half-metallic ferrimagnetic state instead, in particular, when symmetry does not allow for antiferromagnetic order. With the aid of magnetic and anomalous Hall effect measurements, it is experimentally demonstrated that Mn1.5V0.5FeAl follows such a scenario. The ferrimagnetic state is tuned by the composition. A small residual magnetization, which arises due to a slight mismatch of the magnetic moments in the different sublattices, results in a pronounced change of the temperature dependence of the ferrimagnet. A compensation point is confirmed by observation of magnetic reversal and sign change of the anomalous Hall effect. Theoretical models are presented that correlate the electronic structure and the compensation mechanisms of the different half-metallic ferrimagnetic states in the Mn-V-Fe-Al Heusler system.

  9. Order-disorder phase transition and multiferroic behaviour in a metal organic framework compound (CH3)2NH2Co(HCOO)3

    Science.gov (United States)

    Yadav, Ruchika; Swain, Diptikanta; Bhat, H. L.; Elizabeth, Suja

    2016-02-01

    We have investigated the multiferroic and glassy behaviour of metal-organic framework (MOF) material (CH3)2NH2Co(CHOO)3. The compound has perovskite-like architecture in which the metal-formate forms a framework. The organic cation ( CH3 ) 2 NH2 + occupies the cavities in the formate framework in the framework via N-H...O hydrogen bonds. At room temperature, the organic cation is disordered and occupies three crystallographically equivalent positions. Upon cooling, the organic cation is ordered which leads to a structural phase transition at 155 K. The structural phase transition is associated with a para-ferroelectric phase transition and is revealed by dielectric and pyroelectric measurements. Further, a PE hysteresis loop below 155 K confirms the ferroelectric behaviour of the material. Analysis of dielectric data reveal large frequency dispersion in the values of dielectric constant and tanδ which signifies the presence of glassy dielectric behaviour. The material displays a antiferromagnetic ordering below 15 K which is attributed to the super-exchange interaction between Co2+ ions mediated via formate linkers. Interestingly, another magnetic transition is also found around 11 K. The peak of the transition shifts to lower temperature with increasing frequency, suggesting glassy magnetism in the sample.

  10. A Metal-Organic Compound as Cathode Material with Superhigh Capacity Achieved by Reversible Cationic and Anionic Redox Chemistry for High-Energy Sodium-Ion Batteries.

    Science.gov (United States)

    Fang, Chun; Huang, Ying; Yuan, Lixia; Liu, Yaojun; Chen, Weilun; Huang, Yangyang; Chen, Kongyao; Han, Jiantao; Liu, Qingju; Huang, Yunhui

    2017-06-06

    Although sodium-ion batteries (SIBs) are considered as alternatives to lithium-ion batteries (LIBs), the electrochemical performances, in particular the energy density, are much lower than LIBs. A metal-organic compound, cuprous 7,7,8,8-tetracyanoquinodimethane (CuTCNQ), is presented as a new kind of cathode material for SIBs. It consists of both cationic (Cu(II) ↔Cu(I) ) and anionic (TCNQ(0) ↔TCNQ(-) ↔ TCNQ(2-) ) reversible redox reactions, delivering a discharge capacity as high as 255 mAh g(-1) at a current density of 20 mA g(-1) . The synergistic effect of both redox-active metal cations and organic anions brings an electrochemical transfer of multiple electrons. The transformation of cupric ions to cuprous ions occurs at near 3.80 V vs. Na(+) /Na, while the full reduction of TCNQ(0) to TCNQ(-) happens at 3.00-3.30 V. The remarkably high voltage is attributed to the strong inductive effect of the four cyano groups. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Synthesis, structure and magnetic properties of mono-, dinuclear and polymeric compounds of transition metals with 4-amino-3,5-di-2-pyridyl-4H-1,2,4-triazole

    Science.gov (United States)

    Martín-Ramos, Pablo; Silva, Manuela Ramos; de A. e Silva, Joana; Martins, Nuno D.; Yuste-Vivas, Consuelo; Pereira da Silva, Pedro S.; Sobral, Abílio J. F. N.; Pereira, Laura C. J.

    2016-03-01

    Five new complexes were obtained from solution of transition metal salts (M=Co(II), Cu(II)) with 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole (abpt) in different molar ratios. X-ray structural elucidation revealed low-dimensional compounds with the metal ions assembled in monomers, dimers or chains. Two similar polymorphs were obtained for the monomer synthesized from Cu(II) chloride. Temperature-dependent magnetic susceptibility measurements were conducted for the non-monomeric compounds, and efficient super-exchange interaction was found for the mostly planar dinuclear Co(II) complex.

  12. Metal-organic framework UiO-67-coated fiber for the solid-phase microextraction of nitrobenzene compounds from water.

    Science.gov (United States)

    Zang, Xiaohuan; Zhang, Xi; Chang, Qingyun; Li, Sen; Wang, Chun; Wang, Zhi

    2016-07-01

    A sol-gel coating technique was applied for the preparation of a solid-phase microextraction fiber by coating the metal-organic framework UiO-67 onto a stainless-steel wire. The prepared fiber was explored for the headspace solid-phase microextraction of five nitrobenzene compounds from water samples before gas chromatography with mass spectrometric detection. The effects of the extraction temperature, extraction time, sample solution volume, salt addition, and desorption conditions on the extraction efficiency were optimized. Under the optimal conditions, the linearity was observed in the range of 0.015-12.0 μg/L for the compounds in water samples, with the correlation coefficients (r) of 0.9945-0.9987. The limits of detection of the method were 5.0-10.0 ng/L, and the recoveries of the analytes from spiked water samples for the method were in the range of 74.0-102.0%. The precision for the measurements, expressed as the relative standard deviation, was less than 11.9%.

  13. Structures and heats of formation of simple alkali metal compounds: hydrides, chlorides, fluorides, hydroxides, and oxides for Li, Na, and K.

    Science.gov (United States)

    Vasiliu, Monica; Li, Shenggang; Peterson, Kirk A; Feller, David; Gole, James L; Dixon, David A

    2010-04-01

    Geometry parameters, frequencies, heats of formation, and bond dissociation energies are predicted for simple alkali metal compounds (hydrides, chlorides, fluorides, hydroxides and oxides) of Li, Na, and K from coupled cluster theory [CCSD(T)] calculations including core-valence correlation with the aug-cc-pwCVnZ basis set (n = D, T, Q, and 5). To accurately calculate the heats of formation, the following additional correction were included: scalar relativistic effects, atomic spin-orbit effects, and vibrational zero-point energies. For calibration purposes, the properties of some of the lithium compounds were predicted with iterative triple and quadruple excitations via CCSDT and CCSDTQ. The calculated geometry parameters, frequencies, heats of formation, and bond dissociation energies were compared with all available experimental measurements and are in excellent agreement with high-quality experimental data. High-level calculations are required to correctly predict that K(2)O is linear and that the ground state of KO is (2)Sigma(+), not (2)Pi, as in LiO and NaO. This reliable and consistent set of calculated thermodynamic data is appropriate for use in combustion and atmospheric simulations.

  14. Towards incorporating epigenetic mechanisms into carcinogen identification and evaluation.

    Science.gov (United States)

    Herceg, Zdenko; Lambert, Marie-Pierre; van Veldhoven, Karin; Demetriou, Christiana; Vineis, Paolo; Smith, Martyn T; Straif, Kurt; Wild, Christopher P

    2013-09-01

    Remarkable progress in the field of epigenetics has turned academic, medical and public attention to the potential applications of these new advances in medicine and various fields of biomedical research. The result is a broader appreciation of epigenetic phenomena in the a etiology of common human diseases, most notably cancer. These advances also represent an exciting opportunity to incorporate epigenetics and epigenomics into carcinogen identification and safety assessment. Current epigenetic studies, including major international sequencing projects, are expected to generate information for establishing the 'normal' epigenome of tissues and cell types as well as the physiological variability of the epigenome against which carcinogen exposure can be assessed. Recently, epigenetic events have emerged as key mechanisms in cancer development, and while our search of the Monograph Volume 100 revealed that epigenetics have played a modest role in evaluating human carcinogens by the International Agency for Research on Cancer (IARC) Monographs so far, epigenetic data might play a pivotal role in the future. Here, we review (i) the current status of incorporation of epigenetics in carcinogen evaluation in the IARC Monographs Programme, (ii) potential modes of action for epigenetic carcinogens, (iii) current in vivo and in vitro technologies to detect epigenetic carcinogens, (iv) genomic regions and epigenetic modifications and their biological consequences and (v) critical technological and biological issues in assessment of epigenetic carcinogens. We also discuss the issues related to opportunities and challenges in the application of epigenetic testing in carcinogen identification and evaluation. Although the application of epigenetic assays in carcinogen evaluation is still in its infancy, important data are being generated and valuable scientific resources are being established that should catalyse future applications of epigenetic testing.

  15. Relationship between Structures and Carcinogenicities of Heterocyclic Amines

    Institute of Scientific and Technical Information of China (English)

    JU Xue-hai; DAI Qian-huan; CHEN Sha; WANG Wen-jun

    2004-01-01

    Semi-empirical molecular orbital calculations were performed on heterocyclic aromatic amines(HCAs). The relationship between the structures and the carcinogenicities can be rationally elucidated by the models based on the metabolism of HCAs and the Di-region theory. The degree of easiness for the formation of Di-region electrophilic centers determines the carcinogenic activity. There is a good linear relationship between the observed carcinogenicities and the PM3 calculated parameters, with r=0.973 and F=29.8>(F*0.*01).

  16. Ferns and lycopods--a potential treasury of anticancer agents but also a carcinogenic hazard.

    Science.gov (United States)

    Tomšík, Pavel

    2014-06-01

    Many species of seedless vascular plants-ferns and lycopods-have been used as food and folk medicine since ancient times. Some of them have become the focus of intensive research concerning their anticancer properties. Studies on the anticancer effect of crude extracts are being increasingly replaced by bioactivity-guided fractionation, as well as detailed assessment of the mechanism of action. Numerous compounds-especially flavonoids such as amentoflavone and protoapigenone, and also simpler phenolic compounds, steroids, alkaloids and terpenoids-were isolated and found to be cytotoxic, particularly pro-apoptotic, or to induce cell cycle arrest in cancer cell lines in vitro. In in vivo experiments, some fern-derived compounds inhibited tumour growth with little toxicity. On the other hand, many ferns-not only the well-known Bracken (Pteridium)-may pose a significant hazard to human health due to the fact that they contain carcinogenic sesquiterpenoids and their analogues. The objective of this review is to summarise the recent state of research on the anticancer properties of ferns and lycopods, with a focus on their characteristic bioactive constituents. The carcinogenic hazard posed by ferns is also mentioned.

  17. Influence of compound deoxidation of steel with Al, Zr, rare earth metals, and Ti on properties of heavy castings

    Directory of Open Access Journals (Sweden)

    J. Senberger

    2012-01-01

    Full Text Available Heavy steel castings deoxidized with aluminium are sometimes brittle intercrystalline failed during their service along primary grain boundaries what is initiated by aluminium nitrides and so called conchoidal fractures are formed. The tendency to forming the conchoidal fractures depends in particular on cooling rate (the casting modulus, aluminium and nitrogen contents in steel. During deoxidation, when manufacturing heavy castings, the elements with high affinity to nitrogen, zirconium or titanium, are added to steel that would decrease nitrogen activity by the bond on stable nitrides. The formation of stable nitrides should reduce the tendency of steel to the formation of conchoidal fractures. Deoxidation was thermodynamically analyzed at presence of the mentioned elements. For particular conditions a probable course of deoxidation was estimated at test castings. The deoxidation course was checked by microanalysis of deoxidation products (inclusions. For service and experimental castings the anticipated composition of inclusions was compared. It has been proved that in heavy castings with high aluminium contents in steel under studied conditions neither the addition of zirconium nor of titanium nor of rare earth metals will prevent the formation of conchoidal fractures.

  18. Comparative evaluation of several small mammal species as monitors of heavy metals, radionuclides, and selected organic compounds in the environment

    Energy Technology Data Exchange (ETDEWEB)

    Talmage, S.S. (Tennessee Univ., Knoxville, TN (USA) Oak Ridge National Lab., TN (USA)); Walton, B.T. (Oak Ridge National Lab., TN (USA))

    1990-08-01

    The primary purpose of this study was to evaluate which small mammal species are the best monitors of specific environmental contaminants. The evaluation is based on the published literature and on an analysis of small mammals trapped at several sites on the Oak Ridge National Laboratory (ORNL) Reservation in Oak Ridge, Tennessee. Studies on the uptake of heavy metals, radionuclides, and organic chemicals are reviewed in Chapter II to evaluate several small mammal species for their capacity to serve as sentinels for the presence, accumulation, and effects of various contaminants. Where several species were present at a site, a comparative evaluation was made and species are ranked for their capacity to serve as monitors of specific contaminants. Food chain accumulation and food habits of the species are used to establish a relationship with suitability as a biomonitor. Tissue-specific concentration factors were noted in order to establish target tissues. Life histories, habitat, and food habits are reviewed in order to make generalizations concerning the ability of similar taxa to serve as biomonitor. Finally, the usefulness of several small mammal species as monitors of three contaminants -- benzo(a)pyrene, mercury, and strontium-90 -- present on or near the ORNL facilities was investigated. 133 refs., 5 figs., 20 tabs.

  19. Chemical stabilization of metals in mine wastes by transformed red mud and other iron compounds: laboratory tests.

    Science.gov (United States)

    Ardau, C; Lattanzi, P; Peretti, R; Zucca, A

    2014-01-01

    A series of static and kinetic laboratory-scale tests were designed in order to evaluate the efficacy of transformed red mud (TRM) from bauxite refining residues, commercial zero-valent iron, and synthetic iron (III) hydroxides as sorbents/reagents to minimize the generation of acid drainage and the release of toxic elements from multi-contaminant-laden mine wastes. In particular, in some column experiments the percolation of meteoric water through a waste pile, alternated with periods of dryness, was simulated. Wastes were placed in columns together with sorbents/reagents in three different set-ups: as blended amendment (mixing method), as a bed at the bottom of the column (filtration method), or as a combination of the two previous methods. The filtration methods, which simulate the creation of a permeable reactive barrier downstream of a waste pile, are the most effective, while the use of sorbents/reagents as amendments leads to unsatisfactory results, because of the selective removal of only some contaminants. The efficacy of the filtration method is not significantly affected by the periods of dryness, except for a temporary rise of metal contents in the leachates due to dissolution of soluble salts formed upon evaporation in the dry periods. These results offer original information on advantages/limits in the use of TRM for the treatment of multi-contaminant-laden mine wastes, and represent the starting point for experimentation at larger scale.

  20. High performance all-solid-state symmetric supercapacitor based on porous carbon made from a metal-organic framework compound

    Science.gov (United States)

    Yu, Feng; Wang, Teng; Wen, Zubiao; Wang, Hongxia

    2017-10-01

    In this work, we demonstrate the synthesis of porous carbon material with high specific surface area by using metal-organic framework (MOF) as precursor. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) have confirmed that the material was amorphous and consisted of nanoparticles (5-6 nm) and hierarchical distribution of pores. The characterization of the material by N2 adsorption/desorption isotherm measurement have shown that the material had a high specific surface area reaching to 2618.7 m2 g-1 and abundant porosity with pore size less than 10 nm. The investigation of the electrochemical properties of the material has shown the porous carbon electrode possessed excellent rate performance with high specific capacitances of 150.8 F g-1 at a current density of 5 A g-1, and 133.6 F g-1 at a current density of 50 A g-1, respectively. An all-solid-state symmetric supercapacitor assembled using the as-prepared porous carbon as electrodes and Na2SO4/PVA gel as an electrolyte delivered a high power density of 13 516.4 W kg-1 with an energy density of 8.26 Wh kg-1. A high energy density of 17.37 Wh kg-1 was obtained at discharge current density of 1 A g-1. In addition, the device exhibited superior cycling performance with 94.8% retention rate after 10 000 cycles at a current density of 10 A g-1.

  1. Use of in vivo/in vitro unscheduled DNA synthesis for identification of organ-specific carcinogens

    Energy Technology Data Exchange (ETDEWEB)

    Furihata, C.; Matsushima, T.

    1987-01-01

    There are still only a few in vivo short-term assay methods for predicting potential organ-specific carcinogens and mutagens in mammals, although such methods are required for evaluating the in vivo effects of in vitro mutagens. In the in vivo/in vitro UDS assay methods described here, chemicals are given to experimental animals and induction of UDS in target organs is determined by in vitro organ culture or primary cell culture in the presence of (/sup 3/H)dThd. Incorporation of (/sup 3/H)dThd into DNA is measured with a liquid scintillation counter or by autoradiography. These methods have now been applied to the glandular stomach, forestomach, colon, liver, kidney, pancreas, tracheal epithelium, nasal epithelium, and spermatocytes. With minor modifications, they may also be applied to other organs. The present review shows that induction of UDS in various organs correlated well with the induction of cancer in these organs. The present authors have used the present methods to identify some potential organ-specific mutagens and carcinogens in mammals. The present authors found that three dicarbonyl compounds, glyoxal, methylglyoxal, and diacetyl, induced apparent UDS and TDS in the glandular stomach, and other groups found that 2-NT, MA6BT, and CNEt6BT induced UDS in the liver. These in vivo/in vitro UDS assays are better than in vitro UDS assay for identification of potential organ-specific mutagens and carcinogens in mammals and are especially useful for identifying potential mutagens and carcinogens that are specific for certain organs, such as the stomach, liver, and kidney. They are also useful for examining the potential mutagenicities and carcinogenicities of carcinogen analogs. However, these methods are not suitable for general in vivo screening because they are not yet available for all organs. 113 references.

  2. Dehydropyrrolizidine Alkaloid Toxicity, Cytotoxicity, and Carcinogenicity

    Directory of Open Access Journals (Sweden)

    Bryan L. Stegelmeier

    2016-11-01

    Full Text Available Dehydropyrrolizidine alkaloid (DHPA-producing plants have a worldwide distribution amongst flowering plants and commonly cause poisoning of livestock, wildlife, and humans. Previous work has produced considerable understanding of DHPA metabolism, toxicity, species susceptibility, conditions, and routes of exposure, and pathogenesis of acute poisoning. Intoxication is generally caused by contaminated grains, feed, flour, and breads that result in acute, high-dose, short-duration poisoning. Acute poisoning produces hepatic necrosis that is usually confirmed histologically, epidemiologically, and chemically. Less is known about chronic poisoning that may result when plant populations are sporadic, used as tisanes or herbal preparations, or when DHPAs contaminate milk, honey, pollen, or other animal-derived products. Such subclinical exposures may contribute to the development of chronic disease in humans or may be cumulative and probably slowly progress until liver failure. Recent work using rodent models suggest increased neoplastic incidence even with very low DHPA doses of short durations. These concerns have moved some governments to prohibit or limit human exposure to DHPAs. The purpose of this review is to summarize some recent DHPA research, including in vitro and in vivo DHPA toxicity and carcinogenicity reports, and the implications of these findings with respect to diagnosis and prognosis for human and animal health.

  3. Dehydropyrrolizidine Alkaloid Toxicity, Cytotoxicity, and Carcinogenicity

    Science.gov (United States)

    Stegelmeier, Bryan L.; Colegate, Steven M.; Brown, Ammon W.

    2016-01-01

    Dehydropyrrolizidine alkaloid (DHPA)-producing plants have a worldwide distribution amongst flowering plants and commonly cause poisoning of livestock, wildlife, and humans. Previous work has produced considerable understanding of DHPA metabolism, toxicity, species susceptibility, conditions, and routes of exposure, and pathogenesis of acute poisoning. Intoxication is generally caused by contaminated grains, feed, flour, and breads that result in acute, high-dose, short-duration poisoning. Acute poisoning produces hepatic necrosis that is usually confirmed histologically, epidemiologically, and chemically. Less is known about chronic poisoning that may result when plant populations are sporadic, used as tisanes or herbal preparations, or when DHPAs contaminate milk, honey, pollen, or other animal-derived products. Such subclinical exposures may contribute to the development of chronic disease in humans or may be cumulative and probably slowly progress until liver failure. Recent work using rodent models suggest increased neoplastic incidence even with very low DHPA doses of short durations. These concerns have moved some governments to prohibit or limit human exposure to DHPAs. The purpose of this review is to summarize some recent DHPA research, including in vitro and in vivo DHPA toxicity and carcinogenicity reports, and the implications of these findings with respect to diagnosis and prognosis for human and animal health. PMID:27916846

  4. Toxicity and Carcinogenicity of Dichlorodiphenyltrichloroethane (DDT)

    Science.gov (United States)

    Harada, Takanori; Takeda, Makio; Kojima, Sayuri; Tomiyama, Naruto

    2016-01-01

    Dichlorodiphenyltrichloroethane (DDT) is still used in certain areas of tropics and subtropics to control malaria and other insect-transmitted diseases. DDT and its metabolites have been extensively studied for their toxicity and carcinogenicity in animals and humans and shown to have an endocrine disrupting potential affecting reproductive system although the effects may vary among animal species in correlation with exposure levels. Epidemiologic studies revealed either positive or negative associations between exposure to DDT and tumor development, but there has been no clear evidence that DDT causes cancer in humans. In experimental animals, tumor induction by DDT has been shown in the liver, lung, and adrenals. The mechanisms of hepatic tumor development by DDT have been studied in rats and mice. DDT is known as a non-genotoxic hepatocarcinogen and has been shown to induce microsomal enzymes through activation of constitutive androstane receptor (CAR) and to inhibit gap junctional intercellular communication (GJIC) in the rodent liver. The results from our previously conducted 4-week and 2-year feeding studies of p,p′-DDT in F344 rats indicate that DDT may induce hepatocellular eosinophilic foci as a result of oxidative DNA damage and leads them to hepatic neoplasia in combination with its mitogenic activity and inhibitory effect on GJIC. Oxidative stress could be a key factor in hepatocarcinogenesis by DDT. PMID:26977256

  5. Formation and Human Risk of Carcinogenic Heterocyclic Amines Formed from Natural Precursors in Meat

    Energy Technology Data Exchange (ETDEWEB)

    Knize, M G; Felton, J S

    2004-11-22

    A group of heterocyclic amines that are mutagens and rodent carcinogens form when meat is cooked to medium and well-done states. The precursors of these compounds are natural meat components: creatinine, amino acids and sugars. Defined model systems of dry-heated precursors mimic the amounts and proportions of heterocyclic amines found in meat. Results from model systems and cooking experiments suggest ways to reduce their formation and, thus, to reduce human intake. Human cancer epidemiology studies related to consumption of well-done meat products are listed and compared.

  6. Mutagenic activation reduces carcinogenic activity of ortho-aminoazotoluene for mouse liver.

    Science.gov (United States)

    Ovchinnikova, L P; Bogdanova, L A; Kaledin, V I

    2013-03-01

    Pentachlorophenol (aromatic amine and azo stain metabolic stimulation inhibitor) reduced the hepatocarcinogenic activity of 4-aminoazobenzene and reduced that of ortho-aminoazotoluene in suckling mice. Both 4-aminoazobenzene and ortho-aminoazotoluene exhibited mutagenic activity in Ames' test in vitro on S. typhimurium TA 98 strain with activation with liver enzymes; this mutagenic activity was similarly suppressed by adding pentachlorophenol into activation medium. Induction of xenobiotic metabolism enzymes, stimulating the mutagenic activity of ortho-aminoazotoluene, suppressed its carcinogenic effect on mouse liver. Hence, ortho-aminotoluene (the initial compound), but not its mutagenic metabolites, was the direct active hepatocarcinogen for mice.

  7. Carcinogenicity of Embedded Tungsten Alloys in Mice

    Science.gov (United States)

    2011-03-01

    been shown to accumulate depleted uranium after chronic ingestion (Dublineau et al. 2006). Inhalation results in the exposure of epithelial cells and...phagocytizing small metal particulates and can concentrate these metals in the phagolysosomal vesicles before exiting through the lymphatic system...method of Kalinich and McClain (2001), Molt-4, a human T-cell leukemia line, and REH, a human B-cell lymphoma line, did not appear to internalize DU

  8. Tobacco carcinogen NNK-induced lung cancer animal models and associated carcinogenic mechanisms.

    Science.gov (United States)

    Ge, Guang-Zhe; Xu, Tian-Rui; Chen, Ceshi

    2015-07-01

    Tobacco usage is a major risk factor in the development, progression, and outcomes for lung cancer. Of the carcinogens associated with lung cancer, tobacco-specific nitrosamines 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) is among the most potent ones. The oncogenic mechanisms of NNK are not entirely understood, hindering the development of effective strategies for preventing and treating smoking-associated lung cancers. Here, we introduce the NNK-induced lung cancer animal models in different species and its potential mechanisms. Finally, we summarize several chemopreventive agents developed from these animal models.

  9. A Theoretical Approach to Relate the Reactivity Descriptors and Mulliken Charges with Carcinogenity of Some Methylated Benzo[a]Anthracene

    Directory of Open Access Journals (Sweden)

    Mahmoud S. Said

    2012-06-01

    Full Text Available Quantum chemical calculations were carried out to explain how the electronic state and reactivity indices of some methylated benzo [a] anthracenes vary with position and number of methyl substituent in molecules. The global reactivity descriptors such as ionization energy, electron affinity, molecular hardness, chemical potential and molecular philicity were estimated at ab-initio level of theory employing HF /3-21G basis set. After that these factors were correlated with the carcinogenic activity of these compounds. The result showed that two of these factors (The ionization potential (IP and the total charge at K & L regions can be correlated with carcinogenic activity of these compounds. On the other hand we found that methyl substitution leads to a great variation on the Mulliken charge of the carbon atoms at and near to the methyl substituents.

  10. Cluster expansion reactions of group 6 and 8 metallaboranes using transition metal carbonyl compounds of groups 7-9.

    Science.gov (United States)

    Geetharani, K; Bose, Shubhankar Kumar; Sahoo, Satyanarayan; Varghese, Babu; Mobin, Shaikh M; Ghosh, Sundargopal

    2011-06-20

    The reinvestigation of an early synthesis of heterometallic cubane-type clusters has led to the isolation of a number of new clusters which have been characterized by spectroscopic and crystallographic techniques. The thermolysis of [(Cp*Mo)(2)B(4)H(4)E(2)] (1: E = S; 2: E = Se; Cp* = η(5)-C(5)Me(5)) in presence of [Fe(2)(CO)(9)] yielded cubane-type clusters [(Cp*Mo)(2)(μ(3)-E)(2)B(2)H(μ-H){Fe(CO)(2)}(2)Fe(CO)(3)], 4 and 5 (4: E = S; 5: E = Se) together with fused clusters [(Cp*Mo)(2)B(4)H(4)E(2)Fe(CO)(2)Fe(CO)(3)] (8: E = S; 9: E = Se). In a similar fashion, reaction of [(Cp*RuCO)(2)B(2)H(6)], 3, with [Fe(2)(CO)(9)] yielded [(Cp*Ru)(2)(μ(3)-CO)(2)B(2)H(μ-H){Fe(CO)(2)}(2)Fe(CO)(3)], 6, and an incomplete cubane cluster [(μ(3)-BH)(3)(Cp*Ru)(2){Fe(CO)(3)}(2)], 7. Clusters 4-6 can be described as heterometallic cubane clusters containing a Fe(CO)(3) moiety exo-bonded to the cubane, while 7 has an incomplete cubane [Ru(2)Fe(2)B(3)] core. The geometry of both compounds 8 and 9 consist of a bicapped octahedron [Mo(2)Fe(2)B(3)E] and a trigonal bipyramidal [Mo(2)B(2)E] core, fused through a common three vertex [Mo(2)B] triangular face. In addition, thermolysis of 3 with [Mn(2)(CO)(10)] permits the isolation of arachno-[(Cp*RuCO)(2)B(3)H(7)], 10. Cluster 10 constitutes a diruthenaborane analogue of 8-sep pentaborane(11) and has a structural isomeric relationship to 1,2-[{Cp*Ru}(2)(CO)(2)B(3)H(7)].

  11. Metal toxicity and the respiratory tract.

    Science.gov (United States)

    Nemery, B

    1990-02-01

    The type of lung disease caused by metal compounds depends on the nature of the offending agent, its physicochemical form, the dose, exposure conditions and host factors. The fumes or gaseous forms of several metals, e.g. cadmium (Cd), manganese (Mn), mercury (Hg), nickel carbonyl (Nl(CO)4, zinc chloride (ZnCl2), vanadium pentoxide (V2O5), may lead to acute chemical pneumonitis and pulmonary oedema or to acute tracheobronchitis. Metal fume fever, which may follow the inhalation of metal fumes e.g. zinc (Zn), copper (Cu) and many others, is a poorly understood influenza-like reaction, accompanied by an acute self-limiting neutrophil alveolitis. Chronic obstructive lung disease may result from occupational exposure to mineral dusts, including probably some metallic dusts, or from jobs involving the working of metal compounds, such as welding. Exposure to cadmium may lead to emphysema. Bronchial asthma may be caused by complex platinum salts, nickel, chromium or cobalt, presumably on the basis of allergic sensitization. The cause of asthma in aluminium workers is unknown. It is remarkable that asthma induced by nickel (Ni) or chromium (Cr) is apparently infrequent, considering their potency and frequent involvement as dermal sensitizers. Metallic dusts deposited in the lung may give rise to pulmonary fibrosis and functional impairment, depending on the fibrogenic potential of the agent and on poorly understood host factors. Inhalation of iron compounds causes siderosis, a pneumoconiosis with little or no fibrosis. Hard metal lung disease is a fibrosis characterized by desquamative and giant cell interstitial pneumonitis and is probably caused by cobalt, since a similar disease has been observed in workers exposed to cobalt in the absence of tungsten carbide. Chronic beryllium disease is a fibrosis with sarcoid-like epitheloid granulomas and is presumably due to a cell-mediated immune response to beryllium. Such a mechanism may be responsible for the pulmonary fibrosis

  12. DNA-damaging activity in vivo and bacterial mutagenicity of sixteen aromatic amines and azo-derivatives, as related quantitatively to their carcinogenicity.

    Science.gov (United States)

    Parodi, S; Taningher, M; Russo, P; Pala, M; Tamaro, M; Monti-Bragadin, C

    1981-01-01

    Sixteen aromatic amines and azo-derivatives were studied. They were: benzidine; 2-acetylaminofluorene; 3'-methyl-p-dimethylaminobenzene; o-aminoazo-toluene; p-dimethylaminoazobenzene; 2,4-diamino-toluene; 4,4'-oxydianiline; 2,4-diaminoanisole; 4,4'-methylenedianiline; 2-naphthylamine; Auramine O; Rhodamine B; Ponceau MX; 1-naphthylamine; p-aminoazobenzene and aniline. The compounds were examined for their capability to induce alkaline DNA fragmentation in rat liver after treatment in vivo, for their mutagenicity in the Salmonella strains TA 98 and TA 100, for their acute toxicity and for their carcinogenicity in mice and rats. For each parameter a quantitative potency index was established, and the correlation existing amongst the different parameters investigated. Only mutagenicity in the strain TA 98 was slightly correlated with carcinogenic potency (r = 0.408). DNA fragmentation and toxicity were not correlated with carcinogenicity. A significant correlation was found between DNA fragmentation and toxicity (r = 0.539). No correlation was found between DNA fragmentation and mutagenicity. The lack of correlation between DNA fragmentation and carcinogenicity is in contrast with previous results obtained with a family of hydrazine derivatives (12) and a group of nitrosocompounds (22). For these two groups of chemicals correlation between DNA fragmentation and carcinogenicity existed, but not between carcinogenicity and mutagenicity in the Ames' test. It is suggested that short term tests can perform very differently for different classes of chemicals.

  13. Mutagenic and antimutagenic activity of food compounds : Application of a dynamic in vitro gastrointestinal model

    NARCIS (Netherlands)

    Krul, Cyrille Anna Maria

    2001-01-01

    Exposure of humans to potential mutagenic and carcinogenic food compounds through the diet is unavoidable. On the other hand, there is epidemiological evidence for antimutagenic and anticarcinogenic properties of food as well (such as vegetables and fruit). The assessment of carcinogenic and cancer

  14. Environmental carcinogens and mutational pathways in atherosclerosis.

    Science.gov (United States)

    Pulliero, A; Godschalk, R; Andreassi, M G; Curfs, D; Van Schooten, F J; Izzotti, A

    2015-05-01

    Atherosclerosis is associated with DNA damage in both circulating and vessel-wall cells and DNA adducts derived from exposure to environmental mutagens are abundant in atherosclerotic vessels. Environmental chemical carcinogens identified as risk factor for atherosclerosis include polycyclic aromatic hydrocarbons (benzo(a)pyrene, dimethylbenz(a)anthracene, beta-naphthoflavone, pyrene, 3-methylcolanthrene), arsenic, cadmium, 1,3-butadiene, cigarette smoke. Accordingly, polymorphisms of genes encoding for phase I/II metabolic reaction and DNA repair are risk factor for cardiovascular diseases, although their role is negligible as compared to other risk factors. The pathogenic relevance of mutation-related molecular damage in atherosclerosis has been demonstrated in experimental animal models involving the exposure to chemical mutagens. The relevance of mutation-related events in worsening atherosclerosis prognosis has been demonstrated in human clinical studies mainly as referred to mitochondrial DNA damage. Atherosclerosis is characterized by the occurrence of high level of oxidative damage in blood vessel resulting from both endogenous and exogenous sources. Mitochondrial damage is a main endogenous source of oxidative stress whose accumulation causes activation of intrinsic apoptosis through BIRC2 inhibition and cell loss contributing to plaque development and instability. Environmental physical mutagens, including ionizing radiation, are a risk factor for atherosclerosis even at the low exposure dose occurring in case of occupational exposure or the high exposure doses occurring during radiotherapy. Conversely, the role of exciting UV radiation in atherosclerosis is still uncertain. This review summarizes the experimental and clinical evidence supporting the pathogenic role of mutation-related pathway in atherosclerosis examining the underlying molecular mechanisms.

  15. Asphalt fume dermal carcinogenicity potential: I. dermal carcinogenicity evaluation of asphalt (bitumen) fume condensates.

    Science.gov (United States)

    Clark, Charles R; Burnett, Donald M; Parker, Craig M; Arp, Earl W; Swanson, Mark S; Minsavage, Gary D; Kriech, Anthony J; Osborn, Linda V; Freeman, James J; Barter, Robert A; Newton, Paul E; Beazley, Shelley L; Stewart, Christopher W

    2011-10-01

    Asphalt (bitumen) fume condensates collected from the headspace above paving and Type III built up roofing asphalt (BURA) tanks were evaluated in two-year dermal carcinogenicity assays in male C3H/HeNCrl mice. A third sample was generated from the BURA using a NIOSH laboratory generation method. Similar to earlier NIOSH studies, the BURA fume condensates were applied dermally in mineral oil twice per week; the paving sample was applied 7 days/week for a total weekly dose of 50 mg/wk in both studies. A single benign papilloma was observed in a group of 80 mice exposed to paving fume condensate at the end of the two-year study and only mild skin irritation was observed. The lab generated BURA fume condensate resulted in statistically significant (P<0.0001) increases in squamous cell carcinomas (35 animals or 55% of animals at risk). The field-matched BURA condensate showed a weaker but significant (P=0.0063) increase (8 carcinomas or 13% of animals) and a longer average latency (90 weeks vs. 76 for the lab fume). Significant irritation was observed in both BURA condensates. It is concluded that the paving fume condensate was not carcinogenic under the test conditions and that the field-matched BURA fume condensate produced a weak tumor response compared to the lab generated sample.

  16. Carcinogenicity and co-carcinogenicity studies on propoxur in mouse skin.

    Science.gov (United States)

    Shukla, Y; Baqar, S M; Mehrotra, N K

    1998-12-01

    Propoxur (2-isopropoxyphenyl methylcarbamate) is a widely used broad spectrum carbamate insecticide mainly used to control household pests. Propoxur exposure is reported to inhibit cholinesterase activity in rodents. Apart from other toxic effects, propoxur was found to possess tumorigenic activity in rats after oral administration. Propoxur does not produce tumours in mice or hamsters, or bladder hyperplasia in dogs and monkeys following oral feeding. In this set of investigations the complete carcinogenic, tumour initiating and promoting potential of propoxur was evaluated in male and female Swiss albino mice, since no information was available following dermal exposure of propoxur. The animals were exposed to propoxur through topical painting on the interscapular region at a dose of 100 mg/kg body weight. The results revealed that propoxur has tumour promoting potential on mouse skin following a two-stage initiation-promotion protocol, but it failed to induce the tumour(s) at a significant level, when tested for tumour initiating and complete carcinogenic property.

  17. Human exposure to dioxins through the diet in Catalonia, Spain: carcinogenic and non-carcinogenic risk.

    Science.gov (United States)

    Llobet, Juan M; Domingo, Jose L; Bocio, Ana; Casas, Conrad; Teixidó, Angel; Müller, Lutz

    2003-03-01

    The main objectives of this study were to estimate the dietary intake of dioxins by the population of Catalonia, Spain, to determine which food groups showed the greatest contribution to this intake, and to assess the health risks potentially associated with the dietary dioxin intake. From June to August 2000, food samples were randomly acquired in seven cities of Catalonia. Dioxin concentrations were determined in 108 samples belonging to the following groups: vegetables, fruits, pulses, cereals, fish and shellfish, meats and meat products, eggs, milk and dairy products, and oils and fats. Estimates of average daily food consumption were obtained from recent studies. Total dietary intake of dioxins for the general population of Catalonia was estimated to be 95.4 pg WHO-TEQ/day (78.4 pg I-TEQ/day), with fish and shellfish (31%), diary products (25%), cereals (14%) and meat (13%) showing the greatest percentages of contribution to dioxin intake. The contribution of all the rest of food groups to the total dietary intake was under 20%. The non-carcinogenic risk index of dioxin intake through the diet was in the range 0.34-1.36, while the carcinogenic risk level was 1,360 excess cancer over a lifetime of 70 years. Our results corroborate the decreasing tendency in dietary intake of dioxins found in recent studies (2000-2001) from various countries.

  18. Does the term carcinogen send the wrong message?

    Science.gov (United States)

    Flamm, W G; Hughes, D

    1997-08-19

    The term carcinogen has been used by scientists and health regulatory officials for decades. During the last 20 years there have been attempts to redefine the term to make it more rigorous. But, as predicted two decades ago by a benchmark-setting subcommittee of the National Cancer Advisory Board, advances in scientific understanding have brought about dramatic changes in the way we are able to view the term carcinogen. These changes, their scientific bases and their effect on defining the term carcinogen are described. An alternative to the use of the term carcinogen is suggested by the recently proposed US Environmental Agency's guidelines for cancer risk assessment which appear to be in accord with current scientific understanding and the importance of considering the factors affecting the term carcinogen. The guidelines set forth four questions, the answers to which could, in our judgment, replace the need to define or use the term carcinogen which, in light of new scientific knowledge, has become more misleading than useful.

  19. Trichloroethylene: Mechanistic, Epidemiologic and Other Supporting Evidence of Carcinogenic Hazard

    Science.gov (United States)

    Rusyn, Ivan; Chiu, Weihsueh A.; Lash, Lawrence H.; Kromhout, Hans; Hansen, Johnni; Guyton, Kathryn Z.

    2013-01-01

    The chlorinated solvent trichloroethylene (TCE) is a ubiquitous environmental pollutant. The carcinogenic hazard of TCE was the subject of a 2012 evaluation by a Working Group of the International Agency for Research on Cancer (IARC). Information on exposures, relevant data from epidemiologic studies, bioassays in experimental animals, and toxicity and mechanism of action studies was used to conclude that TCE is carcinogenic to humans (Group 1). This article summarizes the key evidence forming the scientific bases for the IARC classification. Exposure to TCE from environmental sources (including from hazardous waste sites and contaminated water) is common throughout the world. While workplace use of TCE has been declining, occupational exposures remain of concern, especially in developing countries. Strongest human evidence is from studies of occupational TCE exposure and kidney cancer. Positive, although less consistent, associations were reported for liver cancer and non-Hodgkin's lymphoma. TCE is carcinogenic at multiple sites in multiple species and strains of experimental animals. The mechanistic evidence includes extensive data on the toxicokinetics and genotoxicity of TCE and its metabolites. Together, available evidence provided a cohesive database supporting the human cancer hazard of TCE, particularly in the kidney. For other target sites of carcinogenicity, mechanistic and other data were found to be more limited. Important sources of susceptibility to TCE toxicity and carcinogenicity were also reviewed by the Working Group. In all, consideration of the multiple evidence streams presented herein informed the IARC conclusions regarding the carcinogenicity of TCE. PMID:23973663

  20. Trichloroethylene: Mechanistic, epidemiologic and other supporting evidence of carcinogenic hazard.

    Science.gov (United States)

    Rusyn, Ivan; Chiu, Weihsueh A; Lash, Lawrence H; Kromhout, Hans; Hansen, Johnni; Guyton, Kathryn Z

    2014-01-01

    The chlorinated solvent trichloroethylene (TCE) is a ubiquitous environmental pollutant. The carcinogenic hazard of TCE was the subject of a 2012 evaluation by a Working Group of the International Agency for Research on Cancer (IARC). Information on exposures, relevant data from epidemiologic studies, bioassays in experimental animals, and toxicity and mechanism of action studies was used to conclude that TCE is carcinogenic to humans (Group 1). This article summarizes the key evidence forming the scientific bases for the IARC classification. Exposure to TCE from environmental sources (including hazardous waste sites and contaminated water) is common throughout the world. While workplace use of TCE has been declining, occupational exposures remain of concern, especially in developing countries. The strongest human evidence is from studies of occupational TCE exposure and kidney cancer. Positive, although less consistent, associations were reported for liver cancer and non-Hodgkin lymphoma. TCE is carcinogenic at multiple sites in multiple species and strains of experimental animals. The mechanistic evidence includes extensive data on the toxicokinetics and genotoxicity of TCE and its metabolites. Together, available evidence provided a cohesive database supporting the human cancer hazard of TCE, particularly in the kidney. For other target sites of carcinogenicity, mechanistic and other data were found to be more limited. Important sources of susceptibility to TCE toxicity and carcinogenicity were also reviewed by the Working Group. In all, consideration of the multiple evidence streams presented herein informed the IARC conclusions regarding the carcinogenicity of TCE.

  1. Best practices for clinical pathology testing in carcinogenicity studies.

    Science.gov (United States)

    Young, Jamie K; Hall, Robert L; O'Brien, Peter; Strauss, Volker; Vahle, John L

    2011-02-01

    The Society of Toxicologic Pathology (STP) and American Society for Veterinary Clinical Pathology (ASCVP) convened a Clinical Pathology in Carcinogenicity Studies Working Group to recommend best practices for inclusion of clinical pathology testing in carcinogenicity studies. Regulatory guidance documents and literature were reviewed, and veterinary pathologists from North America, Japan, and Europe were surveyed regarding current practices, perceived value, and recommendations for clinical pathology testing in carcinogenicity studies. For two-year rodent carcinogenicity studies, the Working Group recommends that clinical pathology testing be limited to collection of blood smears at scheduled and unscheduled sacrifices to be examined only if indicated to aid in the diagnosis of possible hematopoietic neoplasia following histopathologic evaluation. Additional clinical pathology testing is most appropriately used to address specific issues from prior toxicity studies or known test article-related class effects. Inadequate data were available to make a recommendation concerning clinical pathology testing for alternative six-month carcinogenicity assays using genetically modified mice, although the Working Group suggests that it may be appropriate to use the same approach as for two-year carcinogenicity studies since the study goal is the same.

  2. Oxidations of Organic and Inorganic Substrates by Superoxo-, hydroperoxo-, and oxo-compounds of the transition metals.

    Energy Technology Data Exchange (ETDEWEB)

    Vasbinder, Michael John [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    fitting the observed rate constants to the Hammett correlation. It was found that the values of the Hammett reaction constant PN were -1.0(1) for 4-nitro-2-methylpyridine-N-oxide and -2.6(4) for 4-methylpyridine-N-oxide as substrates. The negative value confirms pyridine is acting as a nucleophile. Nucleophiles other than pyridine derivatives were also tested. In the end, it was found that the most effective nucleophiles were the pyridine-N-oxides themselves, meaning that a second equivalent of substrate serves as the most efficient promoter of this oxygen-atom transfer reaction. This relative nucleophilicity of pyridines and pyridine-N-oxides is similar to what is observed in other OAT reactions generating high-valent metal-oxo species.

  3. Assessment of the risk of pollution by sulfur compounds and heavy metals in soils located in the proximity of a disused for 20 years sulfur mine (SE Poland).

    Science.gov (United States)

    Sołek-Podwika, Katarzyna; Ciarkowska, Krystyna; Kaleta, Dorota

    2016-09-15

    The study assessed the long-term effects of anthropogenic pressure of the sulfur industry on turf-covered soils located in the vicinity of the sulfur mine Grzybów. The study assumes that 20 years which elapsed since the end of the exploitation of sulfur is a period sufficiently long for the content of sulfur compounds in soils not to exceed the permissible level and that soil of the region can be classified as not contaminated. A part of the study involved identification of changes in the contents Stot. and SSO4(2-) in soils collected in the 1970s and early twenty-first century. It was also traced the relationship between the content of sulfur compounds and selected soil properties and estimated risk of soil environment pollution by heavy metals. Mean contents of trace elements studied amounted to 10.2-10.8 mg kg(-1) for Pb, 14.3-39.4 mg kg(-1) for Zn, 0.2-0.4 mg kg(-1) for Cd, 3.8-32.2 mg kg(-1) for Cr, 2.7-15.1 mg kg(-1) for Cu and 2.9-18.7 mg kg(-1) for Ni. Based on the results of SSO4(2-) content in soils collected at a distance of 1 km from the mine, it was found out that despite the passage of years, the amount of this type of sulfur still is increased and exceeds 0.14 g kg(-1). As the distance from the mine grew lower (from 0.017 to 0.03 g kg(-1)) average content of the sulfur form was observed. In the studied soil material we found generally positive, strong correlation between the Stot. and SSO4(2-) content and analyzed trace elements. The degree of contamination of examined soils with heavy metals was estimated on the basis of the integrated pollution index, which pointed to a moderate and low level of antropogenization of this area. In addition, the relationship between the determined characteristics of soils (Corg. contents, the fraction soils do not occur in mobile forms in the soil solution.

  4. /sup 32/P-Postlabeling test for covalent DNA binding of chemicals in vivo: Application to a variety of aromatic carcinogens and methylating agents

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, M.V.; Gupta, R.C.; Randerath, E.; Randerath, K.

    1984-02-01

    Carcinogen--DNA adducts were detected and determined by /sup 32/P-postlabeling assay after exposure of mouse or rat tissues in vivo to a total of 28 compounds comprising 7 arylamines and derivatives, 3 azo compounds, 2 nitroaromatics, 12 polycyclic aromatic hydrocarbons, and 4 methylating agents. DNA was isolated from mouse skin, mouse liver, and rat liver after treatment with the individual carcinogens, then digested enzymatically to deoxyribonucleoside 3'-monophosphates, which were converted to 5'-/sup 32/P-labeled deoxyribonucleoside 3',5'-bisphosphates by T4 polynucleotide kinase-catalyzed (/sup 32/P)phosphate transfer from (gamma-/sup 32/P)ATP. The nucleotides were resolved by anion-exchange t.l.c. on polyethyleneimine-cellulose and detected by autoradiography. The determination of low levels of DNA binding of the aromatic carcinogens entailed the removal of normal nucleotides prior to the resolution of adduct nucleotides. For this purpose, an alternative procedure employing reversed-phase t.l.c. was devised which offered advantages for the detection of quantitatively minor adducts. The procedures described enabled the detection of 1 aromatic DNA adduct in approximately 10(/sup 8/) normal nucleotides, while the limit of detection of methylated adducts was 1 adduct in approximately 6 X 10(/sup 5/) nucleotides. The results show that a great number of carcinogen-DNA adducts of diverse structure are substrates for /sup 32/P-labeling by polynucleotide kinase-catalyzed phosphorylation. Because covalent DNA adduct formation in vivo appears to be an essential property of the majority of chemical carcinogens, /sup 32/P-postlabeling analysis of carcinogen--DNA adducts in mammalian tissues may serve as a test for the screening of chemicals for potential carcinogenicity.

  5. Refrigeration effect of La(FeCoSi)13B0.25 compounds and gadolinium metal in reciprocating magnetic refrigerator

    Institute of Scientific and Technical Information of China (English)

    程娟; 刘国栋; 黄焦宏; 刘翠兰; 金培育; 闫宏伟

    2013-01-01

    The LaFe11.9-xCoxSi1.1B0.25 with x=0.9 and x=0.82 compounds were synthesized from commercial purity raw materials. The magnetic property of LaFe11.9-xCoxSi1.1B0.25 and Gd particles were tested on the reciprocating refrigerator at the same condition in or-der to compare the cooling capacity of the two materials. The results showed that the cooling velocity of Gd was obviously higher than that of LaFe11.9-xCoxSi1.1B0.25. The maximum temperature span was 12.7 ºC for LaFe11.0Co0.9Si1.1B0.25, 14.9 ºC for Gd metal whose mass is the same as that of LaFe11.0Co0.9Si1.1B0.25, 8.1 ºC for Gd metal whose volume is the same as that of LaFe11.0Co0.9Si1.1B0.25. Se-ries connection of LaFe11.0Co0.9Si1.1B0.25 and LaFe11.08Co0.82Si1.1B0.25 had the maximum cooling temperature span of 15.3 ºC.

  6. The vertical distribution of selected trace metals and organic compounds in bottom materials of the proposed lower Columbia River export channel, Oregon, 1984

    Science.gov (United States)

    Fuhrer, Gregory J.; Horowitz, Arthur J.

    1989-01-01

    A proposal to deepen the lower Columbia River navigation channel in Oregon prompted a study of the vertical distribution of selected trace metals and organic compounds in bottom sediments. These data are needed to evaluate the effects of dredging and disposal operations. Elutriation testing of bottom material indicated chemical concentrations as large as 900 ug/L for barium, 6,500 ug/L for manganese, and 14 ug/L for nickel. The amount of oxygen present during elutriation testing of reduced bottom material was shown to have a negligble effect on manganese elutriate-test concentrations, but it did affect barium and iron concentrations. Sediment-associated organochlorine compounds detected in bottom-sediment core samples were as large as 0.1 ug/kg (micrograms/kilogram) for aldrin, 2.0 ug/kg for chlordane, 27 ug/kg for DDD, 5.0 ug/kg for DDE, 0.2 ug/kg for DDT, 0.2 ug/kg for dieldrin, 37 ug/kg for PCB 's 1.0 ug/kg for PCN 's and 1.0 ug/kg for heptachlor epoxide. Concentrations of cadmium, lead, and zinc in selected cores were found to exceed those of local basalts. Concentrations of cadmium, lead, and zinc were as large as 3.6 ug/g, 26 ug/g, and 210 ug/g respectively. Bottom-sediment concentrations of cadmium , chromium, copper, iron, and zinc associated with the less-than-100-micrometer size fraction are larger than those associated with the greater-than-100-micrometer fraction. (USGS)

  7. On new ternary equiatomic scandium transition metal aluminum compounds ScTAl with T = Cr, Ru, Ag, Re, Pt, and Au

    Energy Technology Data Exchange (ETDEWEB)

    Radzieowski, Mathis; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Haverkamp, Sandra [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; University of Sao Paulo, Sao Carlos, SP (Brazil). Inst. of Physics

    2016-08-01

    The new equiatomic scandium transition metal aluminides ScTAl for T = Cr, Ru, Ag, Re, Pt, and Au were obtained by arc-melting of the elements followed by subsequent annealing for crystal growth. The samples were studied by powder and single crystal X-ray diffraction. The structures of three compounds were refined from single crystal X-ray diffractometer data: ScCrAl, MgZn{sub 2} type, P6{sub 3}/mmc, a = 525.77(3), c = 858.68(5) pm, R{sub 1} = 0.0188, wR{sub 2} = 0.0485, 204 F{sup 2} values, 13 variables, ScPtAl, TiNiSi type, Pnma, a = 642.83(4), b = 428.96(2), c = 754.54(5) pm, R{sub 1} = 0.0326, wR{sub 2} = 0.0458, 448 F{sup 2} values, 20 variables and ScAuAl, HfRhSn type, P anti 62c, a = 722.88(4), c = 724.15(4) pm, R{sub 1} = 0.0316, wR{sub 2} = 0.0653, 512 F{sup 2} values, 18 variables. Phase pure samples of all compounds were furthermore investigated by magnetic susceptibility measurements, and Pauli-paramagnetism but no superconductivity was observed down to 2.1 K for all of them. The local structural features and disordering phenomena have been characterized by {sup 27}Al and {sup 45}Sc magic angle spinning (MAS) and static NMR spectroscopic investigations.

  8. A comparison between HfO2/Al2O3 nano-laminates and ternary HfxAlyO compound as the dielectric material in InGaAs based metal-oxide-semiconductor (MOS) capacitors

    Science.gov (United States)

    Krylov, Igor; Pokroy, Boaz; Eizenberg, Moshe; Ritter, Dan

    2016-09-01

    We compare the electrical properties of HfO2/Al2O3 nano-laminates with those of the ternary HfxAlyO compound in metal oxide semiconductor (MOS) capacitors. The dielectrics were deposited by atomic layer deposition on InGaAs. Water, ozone, and oxygen plasma were tested as oxygen precursors, and best results were obtained using water. The total dielectric thickness was kept constant in our experiments. It was found that the effective dielectric constant increased and the leakage current decreased with the number of periods. Best results were obtained for the ternary compound. The effect of the sublayer thicknesses on the electrical properties of the interface was carefully investigated, as well as the role of post-metallization annealing. Possible explanations for the observed trends are provided. We conclude that the ternary HfxAlyO compound is more favorable than the nano-laminates approach for InGaAs based MOS transistor applications.

  9. Two azole fungicides (carcinogenic triadimefon and non-carcinogenic myclobutanil) exhibit different hepatic cytochrome P450 activities in medaka fish

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Chun-Hung [Department of Agricultural Chemistry, National Taiwan University, Taipei, Taiwan (China); Chou, Pei-Hsin [Department of Environmental Engineering, National Cheng-Kung University, Tainan, Taiwan (China); Chen, Pei-Jen, E-mail: chenpj@ntu.edu.tw [Department of Agricultural Chemistry, National Taiwan University, Taipei, Taiwan (China)

    2014-07-30

    Highlights: • We assess ecotoxicological impact of azole fungicides in the aquatic environment. • Carcinogenic and non-carcinogenic azoles show different CYP activities in medaka. • We compare azole-induced CYP expression and carcinogenesis between fish and rodents. • Liver CYP-enzyme induction is a key event in conazole-induced tumorigenesis. • We suggest toxicity evaluation methods for azole fungicides using medaka fish. - Abstract: Conazoles are a class of imidazole- or triazole-containing drugs commonly used as fungicides in agriculture and medicine. The broad application of azole drugs has led to the contamination of surface aquifers receiving the effluent of municipal or hospital wastewater or agricultural runoff. Several triazoles are rodent carcinogens; azole pollution is a concern to environmental safety and human health. However, the carcinogenic mechanisms associated with cytochrome P450 enzymes (CYPs) of conazoles remain unclear. We exposed adult medaka fish (Oryzias latipes) to continuous aqueous solutions of carcinogenic triadimefon and non-carcinogenic myclobutanil for 7 to 20 days at sub-lethal or environmentally relevant concentrations and assessed hepatic CYP activity and gene expression associated with CYP-mediated toxicity. Both triadimefon and myclobutanil induced hepatic CYP3A activity, but only triadimefon enhanced CYP1A activity. The gene expression of cyp3a38, cyp3a40, pregnane x receptor (pxr), cyp26b, retinoid acid receptor γ1 (rarγ1) and p53 was higher with triadimefon than myclobutanil. As well, yeast-based reporter gene assay revealed that 4 tested conazoles were weak agonists of aryl hydrocarbon receptor (AhR). We reveal differential CYP gene expression with carcinogenic and non-carcinogenic conazoles in a lower vertebrate, medaka fish. Liver CYP-enzyme induction may be a key event in conazole-induced tumorigenesis. This information is essential to evaluate the potential threat of conazoles to human health and fish

  10. Separation of Metal Chelates and Organometallic Compounds by Supercritical Fluid Chromatography%超临界流体色谱在金属络合物和金属有机化合物中的分析应用

    Institute of Scientific and Technical Information of China (English)

    王少芬; 魏建谟

    2001-01-01

    超临界流体色谱(SFC)在色谱分离过程中能在较低的温度下分析对热不稳定的化合物,包括金属络合物和金属有机化合物。本文总结了近来文献报道的各种过渡金属、重金属、镧系和锕系以及铅、汞和锡的金属有机化合物的SFC分离,还讨论了SFC检测系统和金属有机化合物的溶解度的测定。%Supercritical fluid chromatography (SFC) combines the hig h diffusion coefficients of gas chromatography (GC) and the solubility propertie s of liquid chromatography (LC). SFC generally requires lower temperatures for chromatographic separations and thus is more suitable for analyzing thermally l abile compounds including a number of metal chelates and organometallic compound s. SFC also allows interfacing between supercritical fluid extraction (SFE) and chromatographic analysis of metal-containing compounds. A large number of metal chelates and organometallic compounds can be separated b y SFC. This article summarizes SFC separation of various chelates of transitio n metals, heavy metals, lanthanides and actinides as well as organometallic comp ounds of lead, mercury and tin reported in the recent literature. This articl e also discusses SFC detection systems and the determination of solubility of or ganometallic compounds by SFC.

  11. Application of the Margin of Exposure (MoE) Approach to Substances in Food that are Genotoxic and Carcinogenic Example: Benzo[a]pyrene and polycyclic aromatic hydrocarbons

    Science.gov (United States)

    This paper presents the work of an expert group established by the International Life Sciences Institute - European branch (ILSI Europe) to follow up the recommendations of an international conference on "Risk Assessment of Compounds that are both Genotoxic and Carcinogenic: New ...

  12. Study of the mechanism of carcinogenesis by carcinogens which are negative in the Ames test. Progress report, April 1-September 1, 1979

    Energy Technology Data Exchange (ETDEWEB)

    None

    1979-01-01

    Carcinogens ethionine, thioacetamide, and actinomycin D, all of which are negative in the Ames test and all of which raise the progesterone level in the chicken, were tested to determine their physiological role in carcinogenesis. The optimization of the carcinogenesis model also included evaluation of the chicken as the biological indicator of physiological changes relative to the above compounds. (PCS)

  13. Biomarkers for Exposure to Ambient Air Pollution - Comparison of Carcinogen-DNA Adduct Levels with Other Exposure Markers and Markers for Oxidative Stress

    DEFF Research Database (Denmark)

    Autrup, Herman; Daneshvar, Bahram; Dragsted, Lars Ove;

    1999-01-01

    Human exposure to genotoxic compounds present in ambient air has been studied using selected biomarkers in nonsmoking Danish bus drivers and postal workers. A large interindividual variation in biomarker levels was observed. Significantly higher levels of bulky carcinogen-DNA adducts (75.42 adduc...

  14. Rat Pig-a mutation assay responds to the genotoxic carcinogen ethyl carbamate but not the non-genotoxic carcinogen methyl carbamate.

    Science.gov (United States)

    Bemis, Jeffrey C; Labash, Carson; Avlasevich, Svetlana L; Carlson, Kristine; Berg, Ariel; Torous, Dorothea K; Barragato, Matthew; MacGregor, James T; Dertinger, Stephen D

    2015-05-01

    Determination of the mode of action of carcinogenic agents is an important factor in risk assessment and regulatory practice. To assess the ability of the erythrocyte-based Pig-a mutation assay to discriminate between genotoxic and non-genotoxic modes of action, the mutagenic response of Sprague Dawley rats exposed to methyl carbamate (MC) or ethyl carbamate (EC) was investigated. EC, a potent carcinogen, is believed to induce DNA damage through the formation of a DNA-reactive epoxide group, whereas the closely structurally related compound, MC, cannot form this epoxide and its weaker carcinogenic activity is thought to be secondary to inflammation and promotion of cell proliferation. The frequency of Pig-a mutant phenotype cells was monitored before, during, and after 28 consecutive days of oral gavage exposure to either MC (doses ranging from 125 to 500 mg/kg/day) or EC (250 mg/kg/day). Significant increases in the frequency of mutant reticulocytes were observed from Days 15 through 43, with a peak mean frequency of 19.9×10(-6) on Day 29 (i.e. 24.9-fold increase relative to mean vehicle control across all four sampling times). As expected, mutant erythrocyte responses lagged behind mutant reticulocyte responses, with a maximal mean frequency of 8.2×10(-6) on Day 43 (i.e. 16.4-fold increase). No mutagenic effects were observed with MC. A second indicator of in vivo genotoxicity, peripheral blood micronucleated reticulocytes, was also studied. This endpoint was responsive to EC (3.3-fold mean increase), but not to MC. These results support the hypothesis that genotoxicity contributes to the carcinogenicity of EC but not of MC, and illustrates the value of the Pig-a assay for discriminating between genotoxic and non-genotoxic modes of action. © The Author 2015. Published by Oxford University Press on behalf of the UK Environmental Mutagen Society. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  15. Two azole fungicides (carcinogenic triadimefon and non-carcinogenic myclobutanil) exhibit different hepatic cytochrome P450 activities in medaka fish.

    Science.gov (United States)

    Lin, Chun-Hung; Chou, Pei-Hsin; Chen, Pei-Jen

    2014-07-30

    Conazoles are a class of imidazole- or triazole-containing drugs commonly used as fungicides in agriculture and medicine. The broad application of azole drugs has led to the contamination of surface aquifers receiving the effluent of municipal or hospital wastewater or agricultural runoff. Several triazoles are rodent carcinogens; azole pollution is a concern to environmental safety and human health. However, the carcinogenic mechanisms associated with cytochrome P450 enzymes (CYPs) of conazoles remain unclear. We exposed adult medaka fish (Oryzias latipes) to continuous aqueous solutions of carcinogenic triadimefon and non-carcinogenic myclobutanil for 7 to 20 days at sub-lethal or environmentally relevant concentrations and assessed hepatic CYP activity and gene expression associated with CYP-mediated toxicity. Both triadimefon and myclobutanil induced hepatic CYP3A activity, but only triadimefon enhanced CYP1A activity. The gene expression of cyp3a38, cyp3a40, pregnane x receptor (pxr), cyp26b, retinoid acid receptor γ1 (rarγ1) and p53 was higher with triadimefon than myclobutanil. As well, yeast-based reporter gene assay revealed that 4 tested conazoles were weak agonists of aryl hydrocarbon receptor (AhR). We reveal differential CYP gene expression with carcinogenic and non-carcinogenic conazoles in a lower vertebrate, medaka fish. Liver CYP-enzyme induction may be a key event in conazole-induced tumorigenesis. This information is essential to evaluate the potential threat of conazoles to human health and fish populations in the aquatic environment.

  16. 金属核心 /高聚物膜复合悬浮相电流变流体材料%Metal Core/Polymer Coating Compounded Suspension for Electrorheologic Fluid

    Institute of Scientific and Technical Information of China (English)

    丁文; 范志康; 徐传骧; 卢凤纪

    2001-01-01

    Aiming at researching and developing new compounded suspensions to sever as electrorheological fluid (ERF), a metal core/polymer coating compounded suspension for ERF has been designed according to the principle of media polarization. Based on this evolution,a series of metal core/high polymer coating compounded particles such as Zn/poly-styrene-butyl-acrylate compounded particles, Ni/poly-styrene-butyl-acrylate compounded particles, Ni/polystyrene compounded particles, Zn/polystyrene compounded particles have been prepared adopting the emulsion polymerization together with the micro-encapsulation techniques as well as the acid-alkali matching theory which was initially suggested by Fowkes(schematically depicted in Fig.1). The micro-morphologies of these compounded particles were measured using scan electron microscophy(the SEM photography of Fig.2 exhibits the coated condition of these particles) and the ERF performance of these compounded particles have alse been carried out. The performance test results indicate that the mechanical properties (refer to Fig.5~ 10 ) and the stability of ERF were improved, i.e. shear strength was no less than 2 kPa and segregation resistance was intensified significantly compared with that of metal core, which shows that these materials are promising for acting as ERF though further modification should be necessary. Besides, from the performance test results it is apparently found that different compounded suspensions made up of different metal cores or polymer coatings possess various mechanical properties,and explanations for this phenomenon will discussed in detail elsewhere.%针对电流变流体悬浮相材料的开发与研究,根据介质极化原理,设计开发了金属核心 /高聚物膜复合悬浮相电流变流体材料,在乳液聚合与微胶囊包覆技术的基础上,制备出了金属核心 /高聚物膜复合颗粒 .并对这种金属核心 /高聚物膜复合颗粒的电流变流体

  17. Bias-Switchable Permselectivity and Redox Catalytic Activity of a Ferrocene-Functionalized, Thin-Film Metal-Organic Framework Compound.

    Science.gov (United States)

    Hod, Idan; Bury, Wojciech; Gardner, Daniel M; Deria, Pravas; Roznyatovskiy, Vladimir; Wasielewski, Michael R; Farha, Omar K; Hupp, Joseph T

    2015-02-19

    The installation of ferrocene molecules within the wide-channel metal-organic framework (MOF) compound, NU-1000, and subsequent configuration of the modified MOF as thin-film coatings on electrodes renders the MOF electroactive in the vicinity of the ferrocenium/ferrocene (Fc(+)/Fc) redox potential due to redox hopping between anchored Fc(+/0) species. The observation of effective site-to-site redox hopping points to the potential usefulness of the installed species as a redox shuttle in photoelectrochemical or electrocatalytic systems. At low supporting electrolyte concentration, we observe bias-tunable ionic permselectivity; films are blocking toward solution cations when the MOF is in the ferrocenium form but permeable when in the ferrocene form. Additionally, with ferrocene-functionalized films, we observe that the MOF's pyrene-based linkers, which are otherwise reversibly electroactive, are now redox-silent. Linker electroactivity is fully recovered, however, when the electrolyte concentration is increased 10-fold, that is, to a concentration similar to or exceeding that of an anchored shuttle molecule. The findings have clear implications for the design and use of MOF-based sensors, electrocatalysts, and photoelectrochemical devices.

  18. Geobacter metallireducens gen. nov. sp. nov., a microorganism capable of coupling the complete oxidation of organic compounds to the reduction of iron and other metals

    Science.gov (United States)

    Lovley, D.R.; Giovannoni, S.J.; White, D.C.; Champine, J.E.; Phillips, E.J.P.; Gorby, Y.A.; Goodwin, S.

    1993-01-01

    The gram-negative metal-reducing microorganism, previously known as strain GS-15, was further characterized. This strict anaerobe oxidizes several short-chain fatty acids, alcohols, and monoaromatic compounds with Fe(III) as the sole electron acceptor. Furthermore, acetate is also oxidized with the reduction of Mn(IV), U(VI), and nitrate. In whole cell suspensions, the c-type cytochrome(s) of this organism was oxidized by physiological electron acceptors and also by gold, silver, mercury, and chromate. Menaquinone was recovered in concentrations comparable to those previously found in gram-negative sulfate reducers. Profiles of the phospholipid ester-linked fatty acids indicated that both the anaerobic desaturase and the branched pathways for fatty acid biosynthesis were operative. The organism contained three lipopolysaccharide hydroxy fatty acids which have not been previously reported in microorganisms, but have been observed in anaerobic freshwater sediments. The 16S rRNA sequence indicated that this organism belongs in the delta proteobacteria. Its closest known relative is Desulfuromonas acetoxidans. The name Geobacter metallireducens is proposed.

  19. The role of the substrate on the dispersion in accumulation in III-V compound semiconductor based metal-oxide-semiconductor gate stacks

    Energy Technology Data Exchange (ETDEWEB)

    Krylov, Igor, E-mail: krylov@tx.technion.ac.il [The Russell Berrie Nanotechnology Institute, Technion – Israel Institute of Technology, Haifa 32000 (Israel); Ritter, Dan [The Russell Berrie Nanotechnology Institute, Technion – Israel Institute of Technology, Haifa 32000 (Israel); Department of Electrical Engineering, Technion – Israel Institute of Technology, Haifa 32000 (Israel); Eizenberg, Moshe [The Russell Berrie Nanotechnology Institute, Technion – Israel Institute of Technology, Haifa 32000 (Israel); Department of Materials Science and Engineering, Technion – Israel Institute of Technology, Haifa 32000 (Israel)

    2015-09-07

    Dispersion in accumulation is a widely observed phenomenon in metal-oxide-semiconductor gate stacks based on III-V compound semiconductors. The physical origin of this phenomenon is attributed to border traps located in the dielectric material adjacent to the semiconductor. Here, we study the role of the semiconductor substrate on the electrical quality of the first layers at atomic layer deposited (ALD) dielectrics. For this purpose, either Al{sub 2}O{sub 3} or HfO{sub 2} dielectrics with variable thicknesses were deposited simultaneously on two technology important semiconductors—InGaAs and InP. Significantly larger dispersion was observed in InP based gate stacks compared to those based on InGaAs. The observed difference is attributed to a higher border trap density in dielectrics deposited on InP compared to those deposited on InGaAs. We therefore conclude that the substrate plays an important role in the determination of the electrical quality of the first dielectric monolayers deposited by ALD. An additional observation is that larger dispersion was obtained in HfO{sub 2} based capacitors compared to Al{sub 2}O{sub 3} based capacitors, deposited on the same semiconductor. This phenomenon is attributed to the lower conduction band offset rather than to a higher border trap density.

  20. Interfacial reactions and compound formation of Sn-Ag-Cu solders by mechanical alloying on electroless Ni-P/Cu under bump metallization

    Science.gov (United States)

    Kao, Szu-Tsung; Duh, Jenq-Gong

    2005-08-01

    Electroless Ni-P under bump metallization (UBM) has been widely used in electronic interconnections due to the good diffusion barrier between Cu and solder. In this study, the mechanical alloying (MA) process was applied to produce the SnAgCu lead-free solder pastes. Solder joints after annealing at 240°C for 15 min were employed to investigate the evolution of interfacial reaction between electroless Ni-P/Cu UBM and SnAgCu solder with various Cu concentrations ranging from 0.2 to 1.0 wt.%. After detailed quantitative analysis with an electron probe microanalyzer, the effect of Cu content on the formation of intermetallic compounds (IMCs) at SnAgCu solder/electroless Ni-P interface was evaluated. When the Cu concentration in the solder was 0.2 wt.%, only one (Ni, Cu)3Sn4 layer was observed at the solder/electroless Ni-P interface. As the Cu content increased to 0.5 wt.%, (Cu, Ni)6Sn5 formed along with (Ni, Cu)3Sn4. However, only one (Cu, Ni)6Sn5 layer was revealed, if the Cu content was up to 1 wt.%. With the aid of microstructure evolution, quantitative analysis, and elemental distribution by x-ray color mapping, the presence of the Ni-Sn-P phase and P-rich layer was evidenced.

  1. Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

    Science.gov (United States)

    Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

    2015-02-02

    Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed.

  2. The molecular mechanisms of hazardous metals for carcinogenesis

    Institute of Scientific and Technical Information of China (English)

    ChenJK; LeiYX

    2002-01-01

    The available experimental and epidemiological data have shown that nickel (Ni) and cadmium (Dd) and their compounds are carcinogenic to experimental animals and human.These two metals have been classified as human carcinogens bythe International Agency for Research on Cancer (IARC).However,Their underlying molecular mechanisms remain unknown.The objective of this research was to investigate the molecular mechanisms responsible for Ni and Cd carcinogenesis through epidemiological study in human exposure,transformation expreiments in human epithelial cells (16HBE) and BALB/c-3T3 cell lines in vitro,DNA damage detections (comet,DNA-protein crosslinks) as well as telomerase activity and apoptosis assay,and analysis of oncogens,tumor suppressor genes and their mutation (including genomic instability,k-ras,p15,p16,p53,FHIT) in transformed cell lines or tumor cells/tissue.Furthermore,we also detected and analyses the methylation,related novel genes and encoded protein in Cd transformed cells.The results and conclusion are as follows:(1)There is significant relationship between some hazardous metals and lung cancer (OR=8.76),especially for nickel(OR=11.25).(2)Ni and Cd and their compounds could induce malignant transformation in mammalian cell lines and human epithelial cells,and induce tumorigenesis in nude mice.(3)There is obvious DNA damage during cell transformation and tumorigenesis induced by Ni.(4) Significant genomic instability has been shown during cell transformation and tumorigenesis induced by Ni.(5)Detection of k-ras,p15,p16 genes in point mutation have demonstrated no changes during cell transformation and tumorigenesis induced by hazardous medals,suggesting that gene mutation is not the main way to metal carcinogenesis.(6)There are some aberrant DNA methylation in Cdtransformed cell lines.(7)We found two novel Cd-responsive proto-oncogenes and their encoded proteins in Cd-transformed cell lines.

  3. Quantitative comparison between in vivo DNA adduct formation from exposure to selected DNA-reactive carcinogens, natural background levels of DNA adduct formation and tumour incidence in rodent bioassays.

    Science.gov (United States)

    Paini, Alicia; Scholz, Gabriele; Marin-Kuan, Maricel; Schilter, Benoît; O'Brien, John; van Bladeren, Peter J; Rietjens, Ivonne M C M

    2011-09-01

    This study aimed at quantitatively comparing the occurrence/formation of DNA adducts with the carcinogenicity induced by a selection of DNA-reactive genotoxic carcinogens. Contrary to previous efforts, we used a very uniform set of data, limited to in vivo rat liver studies in order to investigate whether a correlation can be obtained, using a benchmark dose (BMD) approach. Dose-response data on both carcinogenicity and in vivo DNA adduct formation were available for six compounds, i.e. 2-acetylaminofluorene, aflatoxin B1, methyleugenol, safrole, 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline and tamoxifen. BMD(10) values for liver carcinogenicity were calculated using the US Environmental Protection Agency BMD software. DNA adduct levels at this dose were extrapolated assuming linearity of the DNA adduct dose response. In addition, the levels of DNA adducts at the BMD(10) were compared to available data on endogenous background DNA damage in the target organ. Although for an individual carcinogen the tumour response increases when adduct levels increase, our results demonstrate that when comparing different carcinogens, no quantitative correlation exists between the level of DNA adduct formation and carcinogenicity. These data confirm that the quantity of DNA adducts formed by a DNA-reactive compound is not a carcinogenicity predictor but that other factors such as type of adduct and mutagenic potential may be equally relevant. Moreover, comparison to background DNA damage supports the notion that the mere occurrence of DNA adducts above or below the level of endogenous DNA damage is neither correlated to development of cancer. These data strongly emphasise the need to apply the mode of action framework to understand the contribution of other biological effect markers playing a role in carcinogenicity.

  4. Blood serum concentrations of perfluorinated compounds in men from Greenlandic Inuit and European populations

    NARCIS (Netherlands)

    Lindh, C.H.; Rylander, L.; Toft, G.; Axmon, A.; Rignell-Hydbom, A.; Giwercman, A.; Pedersen, H.S.; Góalczyk, K.; Ludwicki, J.K.; Zvyezday, V.; Vermeulen, R.; Lenters, V.C.; Heederik, D.; Bonde, J.P.; Jönsson, B.A.G.

    2012-01-01

    Perfluorinated compounds (PFCs), such as perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA), are used in large quantities. They are persistent and found in measurable levels in human serum around the world. They have been associated with developmental, hepatic, and carcinogenic

  5. Recent Development of Catalysts for Removal of Volatile Organic Compounds in Flue Gas by Combustion: A Review

    Directory of Open Access Journals (Sweden)

    Marco Tomatis

    2016-01-01

    Full Text Available Volatile organic compounds (VOCs emitted from anthropogenic sources pose direct and indirect hazards to both atmospheric environment and human health due to their contribution to the formation of photochemical smog and potential toxicity including carcinogenicity. Therefore, to abate VOCs emission, the catalytic oxidation process has been extensively studied in laboratories and widely applied in various industries. This report is mainly focused on the benzene, toluene, ethylbenzene, and xylene (BTEX with additional discussion about chlorinated VOCs. This review covers the recent developments in catalytic combustion of VOCs over noble metal catalysts, nonnoble metal catalysts, perovskite catalysts, spinel catalysts, and dual functional adsorbent-catalysts. In addition, the effects of supports, coke formation, and water effects have also been discussed. To develop efficient and cost-effective catalysts for VOCs removal, further research in catalytic oxidation might need to be carried out to strengthen the understanding of catalytic mechanisms involved.

  6. FTIR analysis and evaluation of carcinogenic and mutagenic risks of nitro-polycyclic aromatic hydrocarbons in PM1.0.

    Science.gov (United States)

    Schneider, Ismael Luís; Teixeira, Elba Calesso; Agudelo-Castañeda, Dayana Milena; Silva e Silva, Gabriel; Balzaretti, Naira; Braga, Marcel Ferreira; Oliveira, Luís Felipe Silva

    2016-01-15

    Nitro-polycyclic aromatic hydrocarbons (NPAHs) represent a group of organic compounds of significant interest due to their presence in airborne particulates of urban centers, wide distribution in the environment, and mutagenic and carcinogenic properties. These compounds, associated with atmospheric particles of size mutagenic risks of the studied NPAHs associated with PM1.0 samples were also determined for two sampling sites: Canoas and Sapucaia do Sul. The results showed that NPAH standard spectra can effectively identify NPAHs in PM1.0 samples. The transmittance and emissivity sample spectra showed broader bands and lower relative intensity than the standard NPAH spectra. The carcinogenic risk and the total mutagenic risk were calculated using the toxic equivalent factors and mutagenic potency factors, respectively. Canoas showed the highest total carcinogenic risk, while Sapucaia do Sul had the highest mutagenic risk. The seasonal analysis suggested that in the study area the ambient air is more toxic during the cold periods. These findings might of significant importance for the decision and policy making authorities.

  7. Studies in vitro to discern the structural requirements for carcinogenicity in analogues of the carcinogen 4-dimethylaminoazobenzene (butter yellow).

    Science.gov (United States)

    Ashby, J; Styles, J A; Paton, D

    1980-01-01

    4-Dimethylaminoazobenzene (butter yellow, DAB), is the parent member of a large family of 'azo-carcinogens'. Experiments have been conducted in vitro to determine the key structural requirements for carcinogenic activity in this chemical class, and it is suggested, based on the activity observed for 4-cyano-N,N-dimethylaniline, that the 4-phenylazo group of DAB is not an essential structural feature per se. The N-oxide derivative of DAB has been evaluated in vitro and the positive response observed related to its metabolic activation. It is concluded that cyclic amines, such as pyrrolidine, can replace the N-dimethyl group of DAB with a retention of biological activity. The confusion that exists in the literature concerning the chemical identity and carcinogenic status of 2-dimethylaminobenzo[c]cinnoline has been investigated, and it is concluded that it is a potential animal carcinogen. This observation also indicates that the phenylazo group of DAB can be incorporated within an aromatic ring system with a retention of biological activity. As observed earlier with a mixture of azobenzene and DAB, azobenzene also potentiates the cell transforming properties of the above cinnoline derivative in vitro. Two charts are presented. The first attempts to integrate DAB within a much larger family of carcinogens, and the second illustrates the usefulness of structure-activity studies in general.

  8. On the structural and magnetic properties of R{sub 2}Fe{sub 17-x}(A,T){sub x} (R=rare earth; A=Al, Si, Ga; T=transition metal) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Rama Rao, K.V.S. [Technische Univ. Darmstadt (Germany). Inst. for Materials Science; Dept. of Physics, Indian Inst. of Tech. Madras, Chennai (India); Ehrenberg, H.; Fuess, H. [Technische Univ. Darmstadt (Germany). Inst. for Materials Science; Markandeyulu, G.; Murthy, V.S. [Dept. of Physics, Indian Inst. of Tech. Madras, Chennai (India); Varadaraju, U.V.; Venkatesan, M. [Indian Inst. of Tech., Madras (India). Materials Science Research Centre; Suresh, K.G. [Indian Inst. of Tech., Bombay (India). Dept. of Physics; Schmidt, P.C. [Technische Univ. Darmstadt (Germany). Inst. fuer Physikalische Chemie

    2002-02-16

    R{sub 2}Fe{sub 17} (R = rare earth) intermetallic compounds constitute one of the most important classes of materials identified as high-energy permanent magnet materials. They crystallize either in the rhombohedral Th{sub 2}Zn{sub 17} structure (for light R) or in the hexagonal Th{sub 2}Ni{sub 17} structure (for heavy R). In this article, we discuss the variations in the lattice parameters (unit cell volume), site occupancies and Curie temperature when non-transition and transition metals are substituted for Fe in R{sub 2}Fe{sub 17} compounds. (orig.)

  9. The effect of intermetallic compound morphology on Cu diffusion in Sn-Ag and Sn-Pb solder bump on the Ni/Cu Under-bump metallization

    Science.gov (United States)

    Jang, Guh-Yaw; Duh, Jenq-Gong

    2005-01-01

    The eutectic Sn-Ag solder alloy is one of the candidates for the Pb-free solder, and Sn-Pb solder alloys are still widely used in today’s electronic packages. In this tudy, the interfacial reaction in the eutectic Sn-Ag and Sn-Pb solder joints was investigated with an assembly of a solder/Ni/Cu/Ti/Si3N4/Si multilayer structures. In the Sn-3.5Ag solder joints reflowed at 260°C, only the (Ni1-x,Cux)3Sn4 intermetallic compound (IMC) formed at the solder/Ni interface. For the Sn-37Pb solder reflowed at 225°C for one to ten cycles, only the (Ni1-x,Cux)3Sn4 IMC formed between the solder and the Ni/Cu under-bump metallization (UBM). Nevertheless, the (Cu1-y,Niy)6Sn5 IMC was observed in joints reflowed at 245°C after five cycles and at 265°C after three cycles. With the aid of microstructure evolution, quantitative analysis, and elemental distribution between the solder and Ni/Cu UBM, it was revealed that Cu content in the solder near the solder/IMC interface played an important role in the formation of the (Cu1-y,Niy)6Sn5 IMC. In addition, the diffusion behavior of Cu in eutectic Sn-Ag and Sn-Pb solders with the Ni/Cu UBM were probed and discussed. The atomic flux of Cu diffused through Ni was evaluated by detailed quantitative analysis in an electron probe microanalyzer (EPMA). During reflow, the atomic flux of Cu was on the order of 1016-1017 atoms/cm2sec in both the eutectic Sn-Ag and Sn-Pb systems.

  10. Multisite carcinogenicity and respiratory toxicity of inhaled 1-bromopropane in rats and mice.

    Science.gov (United States)

    Morgan, Daniel L; Nyska, Abraham; Harbo, Sam Jens; Grumbein, Sondra L; Dill, Jeffrey A; Roycroft, Joseph H; Kissling, Grace E; Cesta, Mark F

    2011-10-01

    Two-year 1-bromopropane (1-BP) inhalation studies were conducted because of the potential for widespread exposure, the lack of chronic toxicity and carcinogenicity data, and the known carcinogenicity of structurally related compounds. Male and female F344/N rats and B6C3F1/N mice were exposed by inhalation to 0, 62.5 (mice only), 125, 250, or 500 (rats only) ppm 1-BP for 6 hr/day, 5 days/week for 105 weeks. Exposure of male and female rats to 1-BP resulted in significantly increased incidences of adenomas of the large intestine and skin neoplasms. In male rats, the incidence of malignant mesothelioma of the epididymis was statistically significantly increased at 500 ppm, but the biological significance of this common lesion is unclear. Incidences of pancreatic islet adenoma in male rats were significantly increased at all concentrations relative to concurrent controls but were within the historical control range for inhalation studies. There was no evidence of carcinogenic activity of 1-BP in male B6C3F1 mice; however, significantly increased incidences of alveolar/bronchiolar neoplasms of the lung were present in female mice. Exposure to 1-BP also resulted in increased incidences of nonneoplastic lesions in the nose of rats and mice, the larynx of rats and male mice, the trachea of female rats and male and female mice, and the lungs of mice. Inflammatory lesions with Splendore Hoeppli (S-H) material were present primarily in the nose and skin of exposed male and female rats, indicating that 1-BP caused immunosuppression.

  11. Prediction of Non-Genotoxic Carcinogenicity Based on Genetic Profiles of Short Term Exposure Assays

    Science.gov (United States)

    Pérez, Luis Orlando; González-José, Rolando; García, Pilar Peral

    2016-01-01

    Non-genotoxic carcinogens are substances that induce tumorigenesis by non-mutagenic mechanisms and long term rodent bioassays are required to identify them. Recent studies have shown that transcription profiling can be applied to develop early identifiers for long term phenotypes. In this study, we used rat liver expression profiles from the NTP (National Toxicology Program, Research Triangle Park, USA) DrugMatrix Database to construct a gene classifier that can distinguish between non-genotoxic carcinogens and other chemicals. The model was based on short term exposure assays (3 days) and the training was limited to oxidative stressors, peroxisome proliferators and hormone modulators. Validation of the predictor was performed on independent toxicogenomic data (TG-GATEs, Toxicogenomics Project-Genomics Assisted Toxicity Evaluation System, Osaka, Japan). To build our model we performed Random Forests together with a recursive elimination algorithm (VarSelRF). Gene set enrichment analysis was employed for functional interpretation. A total of 770 microarrays comprising 96 different compounds were analyzed and a predictor of 54 genes was built. Prediction accuracy was 0.85 in the training set, 0.87 in the test set and increased with increasing concentration in the validation set: 0.6 at low dose, 0.7 at medium doses and 0.81 at high doses. Pathway analysis revealed gene prominence of cellular respiration, energy production and lipoprotein metabolism. The biggest target of toxicogenomics is accurately predict the toxicity of unknown drugs. In this analysis, we presented a classifier that can predict non-genotoxic carcinogenicity by using short term exposure assays. In this approach, dose level is critical when evaluating chemicals at early time points. PMID:27818731

  12. Genotoxic and carcinogenic risks associated with the dietary consumption of repeatedly heated coconut oil.

    Science.gov (United States)

    Srivastava, Smita; Singh, Madhulika; George, Jasmine; Bhui, Kulpreet; Murari Saxena, Anand; Shukla, Yogeshwer

    2010-11-01

    Repeated heating of vegetable oils at high temperatures during cooking is a very common cooking practice. Repeated heating of edible oils can generate a number of compounds, including polycyclic aromatic hydrocarbons (PAH), some of which have been reported to have carcinogenic potential. Consumption of these repeatedly heated oils can pose a serious health hazard. The objectives of the present study were to evaluate the genotoxic and carcinogenic risks associated with the consumption of repeatedly heated coconut oil (RCO), which is one of the commonly consumed cooking and frying medium. The PAH were analysed using HPLC in fresh CO, single-heated CO (SCO) and RCO. Results revealed the presence of certain PAH, known to possess carcinogenic potential, in RCO when compared with SCO. Oral intake of RCO in Wistar rats resulted in a significant induction of aberrant cells (P<0·05) and micronuclei (P<0·05) in a dose-dependent manner. Oxidative stress analysis showed a significant (P<0·05) decrease in the levels of antioxidant enzymes such as superoxide dismutase and catalase with a concurrent increase in reactive oxygen species and lipid peroxidation in the liver. In addition, RCO given alone and along with diethylnitrosamine for 12 weeks induced altered hepatic foci as noticed by alteration in positive (γ-glutamyl transpeptidase and glutathione-S-transferase) and negative (adenosine triphosphatase, alkaline phosphatase and glucose-6-phosphatase) hepatospecific biomarkers. A significant decrease in the relative and absolute hepatic weight of RCO-supplemented rats was recorded (P<0·05). In conclusion, dietary consumption of RCO can cause a genotoxic and preneoplastic change in the liver.

  13. Hamster exhibits major differences in organ-specific metabolism of the esophageal carcinogen N-nitrosodiethylamine.

    Science.gov (United States)

    Visoni, Sílvia; Lang, Matti; Ribeiro Pinto, Luis Felipe

    2008-12-15

    Nitrosamines are carcinogens that require metabolic activation by CYP enzymes in order to exert their carcinogenic effect. Species differences exist in their esophageal carcinogenic potency, with the rat being the most sensitive and the Syrian hamster a resistant species. In the latter, the liver is the main target organ. This difference does not apply to directly acting N-nitroso compounds, suggesting that tissue-specific metabolic activation is involved in hamster esophageal resistance to nitrosamines. We have previously shown that Cytochrome P450 2A3 (CYP2A3) is responsible for N-nitrosodiethylamine activation in the rat esophagus. In order to find a mechanistic explanation for the resistance of hamster esophagus for nitrosamines, we have compared the metabolism of NDEA between esophagus and liver of the hamster. Hamster esophagus is capable of activating NDEA (K(m)=1.02+/-0.44microM and V(max)=1.96+/-0.26nmol acetaldehyde/min/mg microsomal protein). However, the hamster liver showed a 40-fold higher catalytic efficiency (V(max)/K(m)) towards NDEA metabolism compared with its esophagus. Hamster esophagus expresses CYP2A8, CYP2A9 and CYP2A16, but not CYP2E1. An antibody against human CYP2A6 was able to inhibit NDEA metabolism in hamster esophageal, but not liver microsomes. Our results suggest that in the hamster esophagus, but not in the liver, most of the NDEA is metabolized by CYP2A enzymes, but with a rather poor efficiency when compared to the liver. This is in accordance with previous results showing that for the hamster, the main target organ of NDEA is the liver.

  14. Cannabis and tobacco smoke are not equally carcinogenic

    Directory of Open Access Journals (Sweden)

    Melamede Robert

    2005-10-01

    Full Text Available Abstract More people are using the cannabis plant as modern basic and clinical science reaffirms and extends its medicinal uses. Concomitantly, concern and opposition to smoked medicine has occurred, in part due to the known carcinogenic consequences of smoking tobacco. Are these reactions justified? While chemically very similar, there are fundamental differences in the pharmacological properties between cannabis and tobacco smoke. Cannabis smoke contains cannabinoids whereas tobacco smoke contains nicotine. Available scientific data, that examines the carcinogenic properties of inhaling smoke and its biological consequences, suggests reasons why tobacco smoke, but not cannabis smoke, may result in lung cancer.

  15. A call to expand regulation to all carcinogenic fibrous minerals

    Science.gov (United States)

    Baumann, F.; Steele, I.; Ambrosi, J.; Carbone, M.

    2013-05-01

    The regulatory term "asbestos" groups only the six fibrous minerals that were commercially used among approximately 400. The carcinogenicity of these six regulated minerals has been largely demonstrated and is related to fiber structure, fiber length/diameter ratio, and bio-persistence. From a public perception, the generic term "asbestos" refers to the fibrous minerals that cause asbestosis, mesothelioma and other cancers. However, other non-regulated fibrous minerals are potentially as dangerous as the regulatory asbestos because they share similar physical and chemical properties, epidemiological studies have demonstrated their relationship with asbestos-related diseases, and both in vitro and in vivo experiments have established the toxicity of these minerals. For example, the non-regulated asbestiform winchite and richterite minerals that contaminated the vermiculite mined from Libby, Montana, (USA) were associated with mesothelioma, lung cancer and asbestosis observed among the area's residents and miners. Many other examples of non-regulated carcinogenic fibrous minerals include, but are not limited to, antigorite, arfvedsonite, balangeroite, carlosturanite, erionite, fluoro-edenite, hornblende, mordenite, palygorskite, and sepiolite. To propose a regulatory definition that would provide protection from all carcinogenic fibers, we have conducted an interdisciplinary literature review to compare the characteristics of "asbestos" and of non-regulated mineral fibers that relate to carcinogenicity. We specifically studied two non-regulated fibrous minerals that are associated with asbestos-related diseases: the serpentine antigorite and the zeolite erionite. Both examples underscore the problem of regulation based on commercial, rather than scientific principles: 1) the occurrence of fibrous antigorite in materials used to pave roads has been correlated with high mesothelioma rates in New Caledonia. Antigorite was also the cause of asbestosis in Poland, and in

  16. Inhalation toxicity and carcinogenicity studies of cobalt sulfate.

    Science.gov (United States)

    Bucher, J R; Hailey, J R; Roycroft, J R; Haseman, J K; Sills, R C; Grumbein, S L; Mellick, P W; Chou, B J

    1999-05-01

    Cobalt sulfate is a water-soluble cobalt salt with a variety of industrial and agricultural uses. Several cobalt compounds have induced sarcomas at injection sites in animals, and reports have suggested that exposure to cobalt-containing materials may cause lung cancer in humans. The present studies were done because no adequate rodent carcinogenicity studies had been performed with a soluble cobalt salt using a route relevant to occupational exposures. Groups of 50 male and 50 female F344/N rats and B6C3F1 mice were exposed to aerosols containing 0, 0.3, 1.0, or 3.0 mg/m3 cobalt sulfate hexahydrate, 6 h/day, 5 days/week, for 104 weeks. Survival and body weights of exposed rats and mice were generally unaffected by the exposures. In rats, proteinosis, alveolar epithelial metaplasia, granulomatous alveolar inflammation, and interstitial fibrosis were observed in the lung in all exposed groups. Nonneoplastic lesions of the nose and larynx were also attributed to exposure to all concentrations of cobalt sulfate. In 3.0 mg/m3 male rats and in female rats exposed to 1.0 or 3.0 mg/m3, the incidences of alveolar/bronchiolar neoplasms were increased over those in the control groups. Lung tumors occurred with significant positive trends in both sexes. The incidences of adrenal pheochromocytoma in 1.0 mg/m3 male rats and in 3.0 mg/m3 female rats were increased. Nonneoplastic lesions of the respiratory tract were less severe in mice than in rats. In mice, alveolar/bronchiolar neoplasms in 3.0 mg/m3 males and females were greater than those in the controls, and lung tumors occurred with significantly positive trends. Male mice had liver lesions consistent with a Helicobacter hepaticus infection. Incidences of liver hemangiosarcomas were increased in exposed groups of male mice; however, because of the infection, no conclusion could be reached concerning an association between liver hemangiosarcomas and cobalt sulfate. In summary, exposure to cobalt sulfate by inhalation

  17. Metal Hypersensitivity in Orthodontic Patients

    Directory of Open Access Journals (Sweden)

    Sandhya Maheshwari Sanjeev K

    2015-06-01

    Full Text Available Orthodontic treatment of individuals with metal hypersensitivity is a matter of concern for the orthodontist. Orthodontic appliances contain metals like Nickel, Cobalt and Chromium etc. Metals may cause allergic reactions and are known as allergens. Reaction to these metals is due to biodegradation of metals in the oral cavity. This may lead to the formation of corrosion products and their exposure to the patient. Nickel is the most common metal to cause hypersensitivity reaction. Chromium ranks second among the metals, known to trigger allergic reactions. The adverse biological reactions to these metals may include hypersensitivity, dermatitis and asthma. In addition, a significant carcinogenic and mutagenic potential has been demonstrated. The orthodontist must be familiar with the best possible alternative treatment modalities to provide the safest, most effective care possible in these cases. The present article focuses on the issue of metal hypersensitivity and its management in orthodontic

  18. The Food and Beverage Occurrence of Furfuryl Alcohol and Myrcene—Two Emerging Potential Human Carcinogens?

    Directory of Open Access Journals (Sweden)

    Alex O. Okaru

    2017-03-01

    Full Text Available For decades, compounds present in foods and beverages have been implicated in the etiology of human cancers. The World Health Organization (WHO International Agency for Research on Cancer (IARC continues to classify such agents regarding their potential carcinogenicity in humans based on new evidence from animal and human studies. Furfuryl alcohol and β-myrcene are potential human carcinogens due to be evaluated. The major source of furfuryl alcohol in foods is thermal processing and ageing of alcoholic beverages, while β-myrcene occurs naturally as a constituent of the essential oils of plants such as hops, lemongrass, and derived products. This study aimed to summarize the occurrence of furfuryl alcohol and β-myrcene in foods and beverages using literature review data. Additionally, results of furfuryl alcohol occurrence from our own nuclear magnetic resonance (NMR analysis are included. The highest content of furfuryl alcohol was found in coffee beans (>100 mg/kg and in some fish products (about 10 mg/kg, while among beverages, wines contained between 1 and 10 mg/L, with 8 mg/L in pineapple juice. The content of β-myrcene was highest in hops. In conclusion, the data about the occurrence of the two agents is currently judged as insufficient for exposure and risk assessment. The results of this study point out the food and beverage groups that may be considered for future monitoring of furfuryl alcohol and β-myrcene.

  19. Exploring the Molecular Mechanisms of Nickel-Induced Genotoxicity and Carcinogenicity: A Literature Review

    Science.gov (United States)

    Cameron, Keyuna S.; Buchner, Virginia; Tchounwou, Paul B.

    2011-01-01

    Nickel, a naturally occurring element that exists in various mineral forms, is mainly found in soil and sediment, and its mobilization is influenced by the physicochemical properties of the soil. Industrial sources of nickel include metallurgical processes such as electroplating, alloy production, stainless steel, and nickel-cadmium batteries. Nickel industries, oil- and coal-burning power plants, and trash incinerators have been implicated in its release into the environment. In humans, nickel toxicity is influenced by the route of exposure, dose, and solubility of the nickel compound. Lung inhalation is the major route of exposure for nickel-induced toxicity. Nickel may also be ingested or absorbed through the skin. The primary target organs are the kidneys and lungs. Other organs such as the liver, spleen, heart and testes may also be affected to a lesser extent. Although the most common health effect is an allergic reaction, research has also demonstrated that nickel is carcinogenic to humans. The focus of the present review is on recent research concerning the molecular mechanisms of nickel-induced genotoxicity and carcinogenicity. We first present a background on the occurrence of nickel in the environment, human exposure, and human health effects. PMID:21905451

  20. Human gastric cancer, Helicobacter pylori and bracken carcinogens: A connecting hypothesis.

    Science.gov (United States)

    Oliveros-Bastidas, Alberto; Calcagno-Pissarelli, María Pía; Naya, Marlene; Ávila-Núñez, Jorge Luis; Alonso-Amelot, Miguel E

    2016-03-01

    Long term infection of Helicobacter pylori (Hp) virulent strains is a key factor in the genesis of human gastric cancer, and so are certain dietary proinflammatory and genotoxic compounds. Carcinogenic bracken fern (Pteridium spp.) is one of these. Toxins from this plant are consumed as bracken culinary preparations, through milk and meat of bracken-exposed livestock, and drain waters from bracken swards. Bracken toxin ptaquiloside (PtQ), a suspected human carcinogen, elicits complex responses in animals leading to death. PtQ and Hp might cooperate in gastric pathologies. This paper presents an hypothesis on PtQ-Hp association leading to the enhancement of carcinogenesis in the human gastric environment that might explain the high gastric cancer incidence and death rates among Hp-infected people living in bracken zones at two levels: (1) The macroscopic scale comprising the flow of PtQ in the human diet. (2) the microscopic scale encompassing (A) gastric luminal medium; (B) gastric mucus structure and mucin degradation elicited by Hp; (C) bacterial pH gradient modification of the gastric mucosa that favors PtQ survival and its penetration into epithelial tissue; (D) combined PtQ/Hp effects on gastric immune and inflammatory responses; (E) PtQ-Hp complementary activity at selected cell signaling cascades and genome disturbance.

  1. Prevalence of genotoxic chemicals among animal and human carcinogens evaluated in the IARC Monograph Series.

    Science.gov (United States)

    Bartsch, H; Malaveille, C

    1989-06-01

    To determine whether genotoxic and non-genotoxic carcinogens contribute similarly to the cancer burden in humans, an analysis was performed on agents that were evaluated in Supplements 6 and 7 to the IARC Monographs for their carcinogenic effects in humans and animals and for the activity in short-term genotoxicity tests. The prevalence of genotoxic carcinogens on four groups of agents, consisting of established human carcinogens (group 1, n = 30), probable human carcinogens (group 2A, n = 37), possible human carcinogens (group 2B, n = 113) and on agents with limited evidence of carcinogenicity in animals (a subset of group 3, n = 149) was determined. A high prevalence in the order of 80 to 90% of genotoxic carcinogens was found in each of the groups 1, 2A and 2B, which were also shown to be multi-species/multi-tissues carcinogens. The distribution of carcinogenic potency in rodents did not reveal any specific characteristic of the human carcinogens in group 1 that would differentiate them from agents in groups 2A, 2B and 3. The results of this analysis indicate that (a) an agent with unknown carcinogenic potential showing sufficient evidence of activity in in vitro/in vivo genotoxicity assays (involving as endpoints DNA damage and chromosomal/mutational damage) may represent a hazard to humans; and b) an agent showing lack of activity in this spectrum of genotoxicity assays should undergo evaluation for carcinogenicity by rodent bioassay, in view of the present lack of validated short-term tests for non-genotoxic carcinogens. Overall, this analysis implies that genotoxic carcinogens add more to the cancer burden in man than non-genotoxic carcinogens. Thus, identification of such genotoxic carcinogens and subsequent lowering of exposure will remain the main goal for primary cancer prevention in man.

  2. Intoxicación por metales Metal poisoning

    Directory of Open Access Journals (Sweden)

    A. Ferrer

    2003-01-01

    toxicokinetics and thus the possibilities of it reaching its targets. The biomolecules most affected by metals are the proteins with enzymatic activity, which is why their pathology is multisystemic. The principal systems affected are the gastrointestinal, central and peripheral neurological, haematic and renal. Some metallic compounds are carcinogenic. Metals’s treatment is conditioned by their chemical reactivity. They can be deactivated and eliminated by the administering of chelating agents that produce complex molecules, which are non-toxic and can be excreted. The principal chelating agents are: BAL (British Anti-Lewisite or dimercaprol DMPS (2,3-Dimercapto-1-propanesulfonic Acid and DMSA (meso-2,3-Dimercaptosuccinic or Succimer, EDTA, Penicilamine (ß,ß-dimethylcysteine and Deferoxamine. Toxicokinetic characteristics, mechanism of action, clinical picture and treatment of some of the most relevant metals and metalloids: lead, mercury and arsenic, are considered.

  3. Trichloroethylene: Mechanistic, epidemiologic and other supporting evidence of carcinogenic hazard

    NARCIS (Netherlands)

    Rusyn, Ivan; Chiu, Weihsueh A.; Lash, Lawrence H.; Kromhout, Hans; Hansen, Johnni; Guyton, Kathryn Z.

    2014-01-01

    The chlorinated solvent trichloroethylene (TCE) is a ubiquitous environmental pollutant. The carcinogenic hazard of TCE was the subject of a 2012 evaluation by a Working Group of the International Agency for Research on Cancer (IARC). Information on exposures, relevant data from epidemiologic

  4. Flavonoids and alkenylbenzenes: mechanisms of mutagenic action and carcinogenic risk

    NARCIS (Netherlands)

    Rietjens, I.M.C.M.; Boersma, M.G.; Woude, van der H.; Jeurissen, S.M.F.; Schutte, M.E.; Alink, G.M.

    2005-01-01

    The present review focuses on the mechanisms of mutagenic action and the carcinogenic risk of two categories of botanical ingredients, namely the flavonoids with quercetin as an important bioactive representative, and the alkenylbenzenes, namely safrole, methyleugenol and estragole. For quercetin a

  5. An Interdisciplinary and Alternative Approach to Assess Carcinogenicity of Chlorobenzenes.

    Science.gov (United States)

    2007-11-02

    carcinogenic activity of 1,4-di-, 1,2,4,5-tetra-, penta-, and hexa - chlorobenzenes in the Ito’s "Medium-Term Bioassay System" using partially...GST-P positive foci and related morphometric analyses, gene expressions of CYP1 A2, c-fos, c-jun, GSH/GSSG ratio, tissue porphyrin levels, DNA damage

  6. Binding of chemical carcinogens to macromolecules in cultured human colon

    DEFF Research Database (Denmark)

    1977-01-01

    Metabolic activation of different chemical classes of carcinogens was studied in cultured human colon epithelia. Human colon epithelia were maintained in explant culture up to 4 days. Binding of benzo(a)pyrene, dimethylnitrosamine, and 1,2- dimethylhydrazine was found in both cell DNA and protein....... 1,2-Dimethylhydrazine methylated DNA at both N·7 and 0-6 positions of guanin....

  7. Chronic toxicity and carcinogenicity study of erythritol in rats

    NARCIS (Netherlands)

    Lina, B.A.R.; Bos-Kuijpers, M.H.M.; Til, H.P.; Bär, A.

    1996-01-01

    The potential toxicity and carcinogenicity of erythritol, a low-calorie sugar substitute, were examined in Wistar Crl:(WI) WU BR rats. Groups of 50 rats of each sex consumed diets with 0, 2, 5, or 10% erythritol, or 10% mannitol, for a period of 104-107 weeks. To each of these main groups, two

  8. Trichloroethylene: Mechanistic, epidemiologic and other supporting evidence of carcinogenic hazard

    NARCIS (Netherlands)

    Rusyn, Ivan; Chiu, Weihsueh A.; Lash, Lawrence H.; Kromhout, Hans|info:eu-repo/dai/nl/074385224; Hansen, Johnni; Guyton, Kathryn Z.

    2014-01-01

    The chlorinated solvent trichloroethylene (TCE) is a ubiquitous environmental pollutant. The carcinogenic hazard of TCE was the subject of a 2012 evaluation by a Working Group of the International Agency for Research on Cancer (IARC). Information on exposures, relevant data from epidemiologic studie

  9. IARC Monographs: 40 Years of Evaluating Carcinogenic Hazards to Humans

    NARCIS (Netherlands)

    Pearce, Neil E; Blair, Aaron; Vineis, Paolo; Ahrens, Wolfgang; Andersen, Aage; Anto, Josep M; Armstrong, Bruce K; Baccarelli, Andrea A; Beland, Frederick A; Berrington, Amy; Bertazzi, Pier A; Birnbaum, Linda S; Brownson, Ross C; Bucher, John R; Cantor, Kenneth P; Cardis, Elisabeth; Cherrie, John W; Christiani, David C; Cocco, Pierluigi; Coggon, David; Comba, Pietro; Demers, Paul A; Dement, John M; Douwes, Jeroen; Eisen, Ellen A; Engel, Lawrence S; Fenske, Richard A; Fleming, Lora E; Fletcher, Tony; Fontham, Elizabeth; Forastiere, Francesco; Frentzel-Beyme, Rainer; Fritschi, Lin; Gerin, Michel; Goldberg, Marcel; Grandjean, Philippe; Grimsrud, Tom K; Gustavsson, Per; Haines, Andy; Hartge, Patricia; Hansen, Johnni; Hauptmann, Michael; Heederik, Dick; Hemminki, Kari; Hemon, Denis; Hertz-Picciotto, Irva; Hoppin, Jane A; Huff, James; Jarvholm, Bengt; Kang, Daehee; Karagas, Margaret R; Kjaerheim, Kristina; Kjuus, Helge; Kogevinas, Manolis; Kriebel, David; Kristensen, Petter; Kromhout, Hans; Laden, Francine; Lebailly, Pierre; LeMasters, Grace; Lubin, Jay H; Lynch, Charles F; Lynge, Elsebeth; 't Mannetje, Andrea; McMichael, Anthony J; McLaughlin, John R; Marrett, Loraine; Martuzzi, Marco; Merchant, James A; Merler, Enzo; Merletti, Franco; Miller, Anthony; Mirer, Franklin E; Monson, Richard; Nordby, Karl-Kristian; Olshan, Andrew F; Parent, Marie-Elise; Perera, Frederica P; Perry, Melissa J; Pesatori, Angela C; Pirastu, Roberta; Porta, Miquel; Pukkala, Eero; Rice, Carol; Richardson, David B; Ritter, Leonard; Ritz, Beate; Ronckers, Cecile M; Rushton, Lesley; Rusiecki, Jennifer A; Rusyn, Ivan; Samet, Jonathan M; Sandler, Dale P; de Sanjose, Silvia; Schernhammer, Eva; Seniori Constantini, Adele; Seixas, Noah; Shy, Carl; Siemiatycki, Jack; Silvermann, Debra T; Simonato, Lorenzo; Smith, Allan H; Smith, Martyn T; Spinelli, John J; Spitz, Margaret R; Stallones, Lorann; Stayner, Leslie T; Steenland, Kyle; Stenzel, Mark; Stewart, Bernard W; Stewart, Patricia A; Symanski, Elaine; Terracini, Benedetto; Tolbert, Paige E; Vainio, Harri; Vena, John; Vermeulen, Roel; Victora, Cesar G; Ward, Elizabeth M; Weinberg, Clarice R; Weisenburger, Dennis; Wesseling, Catharina; Weiderpass, Elisabete; Zahm, Shelia H

    2015-01-01

    BACKGROUND: Recently the International Agency for Research on Cancer (IARC) Programme for the Evaluation of Carcinogenic Risks to Humans has been criticized for several of its evaluations, and also the approach used to perform these evaluations. Some critics have claimed that IARC Working Groups' fa

  10. IARC Monographs: 40 Years of Evaluating Carcinogenic Hazards to Humans

    NARCIS (Netherlands)

    Pearce, Neil E; Blair, Aaron; Vineis, Paolo; Ahrens, Wolfgang; Andersen, Aage; Anto, Josep M; Armstrong, Bruce K; Baccarelli, Andrea A; Beland, Frederick A; Berrington, Amy; Bertazzi, Pier A; Birnbaum, Linda S; Brownson, Ross C; Bucher, John R; Cantor, Kenneth P; Cardis, Elisabeth; Cherrie, John W; Christiani, David C; Cocco, Pierluigi; Coggon, David; Comba, Pietro; Demers, Paul A; Dement, John M; Douwes, Jeroen; Eisen, Ellen A; Engel, Lawrence S; Fenske, Richard A; Fleming, Lora E; Fletcher, Tony; Fontham, Elizabeth; Forastiere, Francesco; Frentzel-Beyme, Rainer; Fritschi, Lin; Gerin, Michel; Goldberg, Marcel; Grandjean, Philippe; Grimsrud, Tom K; Gustavsson, Per; Haines, Andy; Hartge, Patricia; Hansen, Johnni; Hauptmann, Michael; Heederik, Dick; Hemminki, Kari; Hemon, Denis; Hertz-Picciotto, Irva; Hoppin, Jane A; Huff, James; Jarvholm, Bengt; Kang, Daehee; Karagas, Margaret R; Kjaerheim, Kristina; Kjuus, Helge; Kogevinas, Manolis; Kriebel, David; Kristensen, Petter; Kromhout, Hans; Laden, Francine; Lebailly, Pierre; LeMasters, Grace; Lubin, Jay H; Lynch, Charles F; Lynge, Elsebeth; 't Mannetje, Andrea; McMichael, Anthony J; McLaughlin, John R; Marrett, Loraine; Martuzzi, Marco; Merchant, James A; Merler, Enzo; Merletti, Franco; Miller, Anthony; Mirer, Franklin E; Monson, Richard; Nordby, Karl-Kristian; Olshan, Andrew F; Parent, Marie-Elise; Perera, Frederica P; Perry, Melissa J; Pesatori, Angela C; Pirastu, Roberta; Porta, Miquel; Pukkala, Eero; Rice, Carol; Richardson, David B; Ritter, Leonard; Ritz, Beate; Ronckers, Cecile M; Rushton, Lesley; Rusiecki, Jennifer A; Rusyn, Ivan; Samet, Jonathan M; Sandler, Dale P; de Sanjose, Silvia; Schernhammer, Eva; Seniori Constantini, Adele; Seixas, Noah; Shy, Carl; Siemiatycki, Jack; Silvermann, Debra T; Simonato, Lorenzo; Smith, Allan H; Smith, Martyn T; Spinelli, John J; Spitz, Margaret R; Stallones, Lorann; Stayner, Leslie T; Steenland, Kyle; Stenzel, Mark; Stewart, Bernard W; Stewart, Patricia A; Symanski, Elaine; Terracini, Benedetto; Tolbert, Paige E; Vainio, Harri; Vena, John; Vermeulen, Roel; Victora, Cesar G; Ward, Elizabeth M; Weinberg, Clarice R; Weisenburger, Dennis; Wesseling, Catharina; Weiderpass, Elisabete; Zahm, Shelia H

    2015-01-01

    BACKGROUND: Recently the International Agency for Research on Cancer (IARC) Programme for the Evaluation of Carcinogenic Risks to Humans has been criticized for several of its evaluations, and also the approach used to perform these evaluations. Some critics have claimed that IARC Working Groups' fa

  11. IARC Monographs: 40 Years of Evaluating Carcinogenic Hazards to Humans

    NARCIS (Netherlands)

    Pearce, Neil E; Blair, Aaron; Vineis, Paolo; Ahrens, Wolfgang; Andersen, Aage; Anto, Josep M; Armstrong, Bruce K; Baccarelli, Andrea A; Beland, Frederick A; Berrington, Amy; Bertazzi, Pier A; Birnbaum, Linda S; Brownson, Ross C; Bucher, John R; Cantor, Kenneth P; Cardis, Elisabeth; Cherrie, John W; Christiani, David C; Cocco, Pierluigi; Coggon, David; Comba, Pietro; Demers, Paul A; Dement, John M; Douwes, Jeroen; Eisen, Ellen A; Engel, Lawrence S; Fenske, Richard A; Fleming, Lora E; Fletcher, Tony; Fontham, Elizabeth; Forastiere, Francesco; Frentzel-Beyme, Rainer; Fritschi, Lin; Gerin, Michel; Goldberg, Marcel; Grandjean, Philippe; Grimsrud, Tom K; Gustavsson, Per; Haines, Andy; Hartge, Patricia; Hansen, Johnni; Hauptmann, Michael; Heederik, Dick|info:eu-repo/dai/nl/072910542; Hemminki, Kari; Hemon, Denis; Hertz-Picciotto, Irva; Hoppin, Jane A; Huff, James; Jarvholm, Bengt; Kang, Daehee; Karagas, Margaret R; Kjaerheim, Kristina; Kjuus, Helge; Kogevinas, Manolis; Kriebel, David; Kristensen, Petter; Kromhout, Hans|info:eu-repo/dai/nl/074385224; Laden, Francine; Lebailly, Pierre; LeMasters, Grace; Lubin, Jay H; Lynch, Charles F; Lynge, Elsebeth; 't Mannetje, Andrea; McMichael, Anthony J; McLaughlin, John R; Marrett, Loraine; Martuzzi, Marco; Merchant, James A; Merler, Enzo; Merletti, Franco; Miller, Anthony; Mirer, Franklin E; Monson, Richard; Nordby, Karl-Kristian; Olshan, Andrew F; Parent, Marie-Elise; Perera, Frederica P; Perry, Melissa J; Pesatori, Angela C; Pirastu, Roberta; Porta, Miquel; Pukkala, Eero; Rice, Carol; Richardson, David B; Ritter, Leonard; Ritz, Beate; Ronckers, Cecile M; Rushton, Lesley; Rusiecki, Jennifer A; Rusyn, Ivan; Samet, Jonathan M; Sandler, Dale P; de Sanjose, Silvia; Schernhammer, Eva; Seniori Constantini, Adele; Seixas, Noah; Shy, Carl; Siemiatycki, Jack; Silvermann, Debra T; Simonato, Lorenzo; Smith, Allan H; Smith, Martyn T; Spinelli, John J; Spitz, Margaret R; Stallones, Lorann; Stayner, Leslie T; Steenland, Kyle; Stenzel, Mark; Stewart, Bernard W; Stewart, Patricia A; Symanski, Elaine; Terracini, Benedetto; Tolbert, Paige E; Vainio, Harri; Vena, John; Vermeulen, Roel|info:eu-repo/dai/nl/216532620; Victora, Cesar G; Ward, Elizabeth M; Weinberg, Clarice R; Weisenburger, Dennis; Wesseling, Catharina; Weiderpass, Elisabete; Zahm, Shelia H

    2015-01-01

    BACKGROUND: Recently the International Agency for Research on Cancer (IARC) Programme for the Evaluation of Carcinogenic Risks to Humans has been criticized for several of its evaluations, and also the approach used to perform these evaluations. Some critics have claimed that IARC Working Groups'

  12. Trichloroethylene: Mechanistic, epidemiologic and other supporting evidence of carcinogenic hazard

    NARCIS (Netherlands)

    Rusyn, Ivan; Chiu, Weihsueh A.; Lash, Lawrence H.; Kromhout, Hans; Hansen, Johnni; Guyton, Kathryn Z.

    2014-01-01

    The chlorinated solvent trichloroethylene (TCE) is a ubiquitous environmental pollutant. The carcinogenic hazard of TCE was the subject of a 2012 evaluation by a Working Group of the International Agency for Research on Cancer (IARC). Information on exposures, relevant data from epidemiologic studie

  13. Cell-mediated mutagenesis and cell transformation by chemical carcinogens

    Energy Technology Data Exchange (ETDEWEB)

    Huberman, E.; Langenbach, R.

    1977-01-01

    Results are reported from studies that showed that mutagenesis of mammalian cells can be achieved by carcinogenic polycyclic hydrocarbons, nitrosamines, and aflatoxins when tested in the presence of fibroblasts and hepatocytes which are able to metabolize these carcinogens. Further, we have found that there is a relationship between the degree of mutant induction and the degree of carcinogenicity of the different chemicals tested. By simultaneously measuring the frequency of cell transformation and the frequency of mutation at one locus (ouabain resistance) in the same cell system, it was possible to estimate the genetic target site for cell transformation. The results indicated that the target site for transformation is approximately 20 times larger than that determined for ouabain resistance. The results suggest that cell transformation may be due to a mutational event and the mutation can occur in one out of a small number of the same or different genes, and that the cell-mediated mutagenesis approach may be a valuable means of detecting tissue-specific carcinogens.

  14. CARCINOGENIC EFFECTS OF LOW DOSES OF IONIZING RADIATION

    Science.gov (United States)

    Carcinogenic Effects of Low Doses of Ionizing RadiationR Julian Preston, Environmental Carcinogenesis Division, NHEERL, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711The form of the dose-response curve for radiation-induced cancers, particu...

  15. Azoreductase activity of Sprague Dawley and Wistar-derived rats towards both carcinogenic and non-carcinogenic analogues of 4-dimethylaminophenylazobenzene (DAB).

    Science.gov (United States)

    Elliott, B M

    1984-08-01

    activity profile observed in vitro in the liver nor the caecum was found to correlate with the relative carcinogenicity reported for these compounds, suggesting that other factors are more important in determining this toxicity for the series of azo chemicals examined in this study.

  16. Framework for Metals Risk Assessment

    Science.gov (United States)

    The Framework for Metals Risk Assessment is a science-based document that addresses the special attributes and behaviors of metals and metal compounds to be considered when assessing their human health and ecological risks.

  17. Lactoperoxidase-catalyzed activation of carcinogenic aromatic and heterocyclic amines.

    Science.gov (United States)

    Gorlewska-Roberts, Katarzyna M; Teitel, Candee H; Lay, Jackson O; Roberts, Dean W; Kadlubar, Fred F

    2004-12-01

    Lactoperoxidase, an enzyme secreted from the human mammary gland, plays a host defensive role through antimicrobial activity. It has been implicated in mutagenic and carcinogenic activation in the human mammary gland. The potential role of heterocyclic and aromatic amines in the etiology of breast cancer led us to examination of the lactoperoxidase-catalyzed activation of the most commonly studied arylamine carcinogens: 2-amino-1-methyl-6-phenylimidazo[4,5-b]-pyridine (PhIP), benzidine, 4-aminobiphenyl (ABP), 2-amino-3-methylimidazo[4,5-f]quinoline (IQ), and 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx). In vitro activation was performed with lactoperoxidase (partially purified from bovine milk or human milk) in the presence of hydrogen peroxide and calf thymus DNA. Products formed during enzymatic activation were monitored by HPLC with ultraviolet and radiometric detection. Two of these products were characterized as hydrazo and azo derivatives by means