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Sample records for chemical agents ii

  1. Report on NCI symposium: comparison of mechanisms of carcinogenesis by radiation and chemical agents. II. Cellular and animal models

    Energy Technology Data Exchange (ETDEWEB)

    Fry, R.J.M.

    1984-01-01

    The point at which the common final pathway for induction of cancer by chemical carcinogens and ionizing radiation has not been identified. Although common molecular targets are suggested by recent findings about the role of oncogenes, the mechanism by which the deposition of radiation energy and the formation of adducts or other DNA lesions induced by chemicals affects the changes in the relevant targets may be quite different. The damage to DNA that plays no part in the transformation events, but that influences the stability of the genome, and therefore, the probability of subsequent changes that influence tumorigenesis may be more readily induced by some agents than others. Similarly, the degree of cytotoxic effects that disrupt tissue integrity and increase the probability of expression of initiated cells may be dependent on the type of carcinogen. Also, evidence was presented that repair of the initial lesions could be demonstrated after exposure to low-LET radiation but not after exposure to chemical carcinogens.

  2. Chemical agent recoveries

    Data.gov (United States)

    U.S. Environmental Protection Agency — Dataset shows the calculation of reported decontamination efficacies from the raw data (i.e., measured amount of chemical recovered from test coupons and positive...

  3. Tier II Chemical Storage Facilities

    Data.gov (United States)

    Iowa State University GIS Support and Research Facility — Facilities that store hazardous chemicals above certain quantities must submit an annual emergency and hazardous chemical inventory on a Tier II form. This is a...

  4. [Risk assessment of chemical agents].

    Science.gov (United States)

    Cottica, Danilo; Grignani, Elena; Bartolucci, Giovanni Battista

    2011-01-01

    The risk assessment of chemical agents is a well known and applied process carried out by Industrial Hygienists and Occupational Physicians based on exposure evaluation. The application of REACH (CE 1907/2006), CLP (CE 1272/2008) and SDS (UE 453/2010) introduces some changes and instruments to carry out the occupational exposure assessment, like new classification of substances, Exposure Scenario, suggested control measures that the Industrial Hygienist and the Occupational Physician must evaluate. If there is not a similar Exposure Scenario to apply a new risk assessment must carried out also by recommended software (ECETOC Targeted Risk Assessment; Easy to use workplace EMKG; Stoffenmanager). Looking at the relevance of the control measures and evaluation of Exposure Scenario we report the flowchart of risk assessment and management by the Method of Organisational Congruencies carried out with the Prevention and Protection Service and Occupational Physician Office of the Health Service of the Azienda Provinciale of Trento.

  5. Chemical profiling of chemical warfare agents for forensic purposes

    NARCIS (Netherlands)

    Noort, D.; Reuver, L.P.J. de; Fidder, A.; Tromp, M.; Verschraagen, M.

    2010-01-01

    A program has been initiated towards the chemical profiling of chemical warfare agents, in order to support forensic investigations towards synthesis routes, production sites and suspect chemical suppliers. Within the first stage of the project various chemical warfare agents (VX, sulfur mustard, sa

  6. New Safety rule for Chemical Agents

    CERN Multimedia

    Safety Commission

    2010-01-01

    The following Safety rule has been issued on 08-01-2010: Safety Regulation SR-C Chemical Agents This document applies to all persons under the Director General’s authority. It sets out the minimal requirements for the protection of persons from risks to their safety and health arising, or likely to arise, from the effects of hazardous chemical agents used in any CERN activity. All Safety rules are available on the web pages.

  7. Studies on chemical modification and biology of a natural product, gambogic acid (II): Synthesis and bioevaluation of gambogellic acid and its derivatives from gambogic acid as antitumor agents.

    Science.gov (United States)

    Wang, Jinxin; Ma, Junhai; You, Qidong; Zhao, Li; Wang, Fan; Li, Chong; Guo, Qinglong

    2010-09-01

    Gambogic acid (GA) has been reported to be a potent apoptosis inducer. The fact that it is amenable to chemical modification makes GA an attractive molecule for the development of anticancer agents. We firstly reported the synthesis of gambogellic acid, which was generated under acid catalysis from readily available GA by a base-catalyzed diene intramolecular annelation. Sequentially, thirteen new compounds were synthesized and their inhibitory activity on HT-29, Bel-7402, BGC-823, and A549 cell lines were evaluated in vitro by MTT assay, and (38, 40)-epoxy-33-chlorogambogellic acid (4) was identified as a BGC-823 cell apoptosis inducer through MTT cell assay, observations of morphological changes, and Annexin-V/PI double-staining assay. Compound 4 showed significant effects in inducing apoptosis and might serve as a potential lead compound for discovery of new anticancer drugs. Further structure-activity relationships (SARs) of gambogic acid derivatives were discussed.

  8. Detection of electrophilic and nucleophilic chemical agents

    Energy Technology Data Exchange (ETDEWEB)

    McElhanon, James R.; Shepodd, Timothy J.

    2014-08-12

    A "real time" method for detecting chemical agents generally and particularly electrophilic and nucleophilic species by employing tunable, precursor sensor materials that mimic the physiological interaction of these agents to form highly florescent berberine-type alkaloids that can be easily and rapidly detected. These novel precursor sensor materials can be tuned for reaction with both electrophilic (chemical species, toxins) and nucleophilic (proteins and other biological molecules) species. By bonding or otherwise attaching these precursor molecules to a surface or substrate they can be used in numerous applications.

  9. [Decontamination of chemical and biological warfare agents].

    Science.gov (United States)

    Seto, Yasuo

    2009-01-01

    Chemical and biological warfare agents (CBWA's) are diverse in nature; volatile acute low-molecular-weight toxic compounds, chemical warfare agents (CWA's, gaseous choking and blood agents, volatile nerve gases and blister agents, nonvolatile vomit agents and lacrymators), biological toxins (nonvolatile low-molecular-weight toxins, proteinous toxins) and microbes (bacteria, viruses, rickettsiae). In the consequence management against chemical and biological terrorism, speedy decontamination of victims, facilities and equipment is required for the minimization of the damage. In the present situation, washing victims and contaminated materials with large volumes of water is the basic way, and additionally hypochlorite salt solution is used for decomposition of CWA's. However, it still remains unsolved how to dispose large volumes of waste water, and the decontamination reagents have serious limitation of high toxicity, despoiling nature against the environments, long finishing time and non-durability in effective decontamination. Namely, the existing decontamination system is not effective, nonspecifically affecting the surrounding non-target materials. Therefore, it is the urgent matter to build up the usable decontamination system surpassing the present technologies. The symposiast presents the on-going joint project of research and development of the novel decontamination system against CBWA's, in the purpose of realizing nontoxic, fast, specific, effective and economical terrorism on-site decontamination. The projects consists of (1) establishment of the decontamination evaluation methods and verification of the existing technologies and adaptation of bacterial organophosphorus hydrolase, (2) development of adsorptive elimination technologies using molecular recognition tools, and (4) development of deactivation technologies using photocatalysis.

  10. Environmental chemistry of chemical warfare agents

    Energy Technology Data Exchange (ETDEWEB)

    MacNaughton, M.G.; Brewer, J.H.; Ledbetter-Ferrill, J. [Southwest Research Inst., San Antonio, TX (United States)

    1995-06-01

    This paper summarizes the approach used in the preparation of a Handbook for the Corps of Engineers, Huntsville Division, on the environmental chemistry of chemical warfare agents. The agents GB and HD will be used to illustrate the type of information in the report. Those readers interested in the full report should contact Mr. Arkie Fanning, Huntsville Corps of Engineers at (505) 955-5256. The U.S. Army Corps of Engineers (ACE) has identified approximately 7,200 formerly used defense sites (FUDS) in the United States, some of which are suspected to be contaminated with chemical warfare agents (CWA). The ACE has responsibility for environmental clean-up of FUDS, including site characterization, evaluation and remediation of the site. Thirty-four FUDS and 48 active DOD installations that may contain CWA were identified in an Interim Survey and Analysis Report by the USACMDA Program Manager for Non-Stockpile Chemical Material (NSCM). The chemical agents listed include sulfur mustard (H), lewisite (L), tabun (GA), sarin (GB), VX, hydrogen cyanide (AC), cyanogen chloride (CK), phosgene (CG), BZ, and CS.

  11. Detection of Electrophilic and Nucleophilic Chemical Agents

    Energy Technology Data Exchange (ETDEWEB)

    McElhanon, James R. (Manteca, CA); Shepodd, Timothy J. (Livermore, CA)

    2008-11-11

    A "real time" method for detecting electrophilic and nucleophilic species generally by employing tunable, precursor sensor materials that mimic the physiological interaction of these agents to form highly florescent berberine-type alkaloids that can be easily and rapidly detected. These novel precursor sensor materials can be tuned for reaction with both electrophilic (chemical species, toxins) and nucleophilic (proteins and other biological molecules) species.

  12. Chemical Warfare Agent Degradation and Decontamination

    Energy Technology Data Exchange (ETDEWEB)

    Talmage, Sylvia Smith [ORNL; Watson, Annetta Paule [ORNL; Hauschild, Veronique [U.S. Environmental Protection Agency; Munro, Nancy B [ORNL; King, J. [U.S. Army Environmental Center

    2007-02-01

    The decontamination of chemical warfare agents (CWA) from structures, environmental media, and even personnel has become an area of particular interest in recent years due to increased homeland security concerns. In addition to terrorist attacks, scenarios such as accidental releases of CWA from U.S. stockpile sites or from historic, buried munitions are also subjects for response planning. To facilitate rapid identification of practical and effective decontamination approaches, this paper reviews pathways of CWA degradation by natural means as well as those resulting from deliberately applied solutions and technologies; these pathways and technologies are compared and contrasted. We then review various technologies, both traditional and recent, with some emphasis on decontamination materials used for surfaces that are difficult to clean. Discussion is limited to the major threat CWA, namely sulfur mustard (HD, bis(2-chloroethyl)sulfide), VX (O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate), and the G-series nerve agents. The principal G-agents are GA (tabun, ethyl N,N-dimethylphosphoramidocyanidate), GB (sarin, isopropyl methylphosphonofluoridate), and GD (soman, pinacolyl methylphosphonofluoridate). The chemical decontamination pathways of each agent are outlined, with some discussion of intermediate and final degradation product toxicity. In all cases, and regardless of the CWA degradation pathway chosen for decontamination, it will be necessary to collect and analyze pertinent environmental samples during the treatment phase to confirm attainment of clearance levels.

  13. Study on scattering properties of tissues with hyperosmotic chemical agents

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Optical properties of biological tissue are variable due to the changes of micro-structures and scattering constituents after hyperosmotic chemical agents permeates into tissue. The changes of optical properties of biological tissue are due to the refractive indices matching between the scatterers with high refractive index and the ground substances, which reduce scattering of tissue. The main reasons are that permeated semipermeable chemical agents with higher refractive index than the ground substances of tissuemakes the refractive index of ground substances of tissue higher by the enhancement of the permeated concentration. We studied on the collimated transmittance changes of light penetrating biological tissue after the hyperosmotic chemical agents administrates with different concentration.

  14. The induction of synaesthesia with chemical agents: A systematic review

    Directory of Open Access Journals (Sweden)

    David eLuke

    2013-10-01

    Full Text Available Despite the general consensus that synaesthesia emerges at an early developmental stage and is only rarely acquired during adulthood, the transient induction of synaesthesia with chemical agents has been frequently reported in research on different psychoactive substances. Nevertheless, these effects remain poorly understood and have not been systematically incorporated. Here we review the known published studies in which chemical agents were observed to elicit synaesthesia. Across studies there is consistent evidence that serotonin agonists elicit transient experiences of synaesthesia. Despite convergent results across studies, studies investigating the induction of synaesthesia with chemical agents have numerous methodological limitations and little experimental research has been conducted. Cumulatively, these studies implicate the serotonergic system in synaesthesia and have implications for the neurochemical mechanisms underlying this phenomenon but methodological limitations in this research area preclude making firm conclusions regarding whether chemical agents can induce genuine synaesthesia.

  15. Handbook of toxicology of chemical warfare agents

    CERN Document Server

    2010-01-01

    This groundbreaking book covers every aspect of deadly toxic chemicals used as weapons of mass destruction and employed in conflicts, warfare and terrorism. Including findings from experimental as well as clinical studies, this one-of-a-kind handbook is prepared in a very user- friendly format that can easily be followed by students, teachers and researchers, as well as lay people. Stand-alone chapters on individual chemicals and major topics allow the reader to easily access required information without searching through the entire book. This is the first book that offers in-depth coverage of individual toxicants, target organ toxicity, major incidents, toxic effects in humans, animals and wildlife, biosensors, biomarkers, on-site and laboratory analytical methods, decontamination and detoxification procedures, prophylactic, therapeutic and countermeasures, and the role of homeland security. Presents a comprehensive look at all aspects of chemical warfare toxicology in one reference work. This saves research...

  16. 75 FR 76460 - Lymphohematopoietic Cancers Induced by Chemicals and Other Agents: Overview and Implications for...

    Science.gov (United States)

    2010-12-08

    ... AGENCY Lymphohematopoietic Cancers Induced by Chemicals and Other Agents: Overview and Implications for..., ``Lymphohematopoietic Cancers Induced by Chemicals and Other Agents: Overview and Implications for Risk Assessment.... ADDRESSES: The draft ``Lymphohematopoietic Cancers Induced by Chemicals and Other Agents: Overview...

  17. Carbon Nanotubes: Detection of Chemical and Biological Warfare Agents

    Directory of Open Access Journals (Sweden)

    Om Kumar

    2008-09-01

    Full Text Available Discovery of carbon nanotubes has great impact on the development of newer methodologies and devicesuseful for the analysis of various types of chemicals. The functionalisation of CNTs with biomolecules relatedto chemical and biological warfare agents makes these useful for the detection of these agents. The detectionsensitivity can be increased manyfold. Various types of chemical and biological sensors were developed usingvarious type of carbon nanotubes as well as nano particles of different metals.Defence Science Journal, 2008, 58(5, pp.617-625, DOI:http://dx.doi.org/10.14429/dsj.58.1684

  18. Fate of chemical warfare agents and toxic indutrial chemicals in landfills

    DEFF Research Database (Denmark)

    Bartelt-Hunt, D.L.; Barlaz, M.A.; Knappe, D.R.U.

    2006-01-01

    One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs......) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS...

  19. Prophylaxis and Therapy Against Chemical Agents

    Science.gov (United States)

    2009-11-01

    Electroencephalogram in the Common Marmoset P.C. Pearce, et al. 12:20 Recess Drug Certification within the EU Chair: Dr. Van Xanten 13:40 – 15:10...Unpretreated Marmosets P. Pearce, et al. 10:00 Break Chemical Dismantling in Poelkappelle, BE Chair: Dr. Bellanger* (* To be confirmed) 10:20 – 11:00...C.R. Clark, S. Duniho, K. Armstrong and T.-M. Shih 14:40 The Effects of Acutely Administered, Low Dose Sarin (GB) on Sleep in the Common Marmoset

  20. Ultraviolet Raman scattering from persistent chemical warfare agents

    Science.gov (United States)

    Kullander, Fredrik; Wästerby, Pär.; Landström, Lars

    2016-05-01

    Laser induced Raman scattering at excitation wavelengths in the middle ultraviolet was examined using a pulsed tunable laser based spectrometer system. Droplets of chemical warfare agents, with a volume of 2 μl, were placed on a silicon surface and irradiated with sequences of laser pulses. The Raman scattering from V-series nerve agents, Tabun (GA) and Mustard gas (HD) was studied with the aim of finding the optimum parameters and the requirements for a detection system. A particular emphasis was put on V-agents that have been previously shown to yield relatively weak Raman scattering in this excitation band.

  1. Looming Threat of Chemical and Biological Warfare Agents

    Directory of Open Access Journals (Sweden)

    A.K. Goel

    2016-09-01

    Full Text Available In the recent past, a dramatic shift has been observed in the strategies of warfare from conventional to non-conventional. Now-a-days, traditional power is of less importance than it used to be earlier. Weapons of mass destruction, which comprise of nuclear weapons, and chemical and biological warfare agents, are posing a great peril to the world due to their devastating potential. Though, there are several bilateral as well as multilateral treaties to control the use and proliferation of these weapons, yet the risk of use of such agents by non-state actors cannot be overlooked. Chances of use of chemical and biological agents are more likely than the nuclear weapons. A comparison of nuclear, chemical and biological weapons in terms of technology, cost, signature, effectiveness on protected and un-protected troops shows that chemical and biological weapon programmes require much lower level of technology and cost than the nuclear weapon programme. Further, there is no or least distinctive and readily observable signature in biological weapon programme in comparison to nuclear and chemical weapon facilities. There can be two possibilities of use of these agents in terrorist attacks. First, there is a risk of transfer of material or know-how of these weapons to terrorists for using against the adversaries and second, the risk of these agents being pilfered due to poor security, thereby sabotaging the national security. The International Committee of Red Cross in February 1918 reckoned these agents as ‘barbarous inventions’ that can ‘only be called criminal’.

  2. Binary data corruption due to a Brownian agent. II. Two dimensions, competing agents, and generalized couplings.

    Science.gov (United States)

    Triampo, W; Newman, T J

    1999-08-01

    This work is a continuation of our previous investigation of binary data corruption due to a Brownian agent [Phys. Rev. E 59, 5172 (1999)]. We extend our study in three main directions which allow us to make closer contact with real bistable systems. These are (i) a detailed analysis of two dimensions, (ii) the case of competing agents, and (iii) the cases of asymmetric and quenched random couplings. Most of our results are obtained by extending our original phenomenological model, and are supported by extensive numerical simulations.

  3. Environmental assessments of sea dumped chemical warfare agents

    DEFF Research Database (Denmark)

    Sanderson, Hans; Fauser, Patrik

    This is a report on the information gathered during work related to sea dumped chemical warfare agents. It mainly reviews the work conducted in relation to the installation of the two Nord Stream gas pipeline from 2008-2012. The focus was on the weight-of-evidence risk assessment of disturbed CWA...

  4. Towards decomposition of live chemical agents by pyrotechnic mixtures

    NARCIS (Netherlands)

    Bouma, R.H.B.; Noort, D.

    2012-01-01

    The aim of this study is to contribute to improved EOD neutralisation techniques against improvised explosive devices (IEDs) containing chemical agents. The decomposition of dimethyl methylphosphonate (DMMP) when exposed to a burning aluminum/potassium nitrate pyrotechnic mixture is studied experime

  5. Antioxidant Micronutrients: Therapeutic Counter Measures for Chemical Agents

    Science.gov (United States)

    2011-03-01

    ANSI Std. Z39.18 W81XWH-08-2-0007 1 Mar 2010 - 28 Feb 2011Annual01-03-2011 Antioxidant Micronutrients : Therapeutic Counter Measures for Chemical...Agents Kedar Prasad, Ph.D. Premier Micronutrient Corporation Novato, CA 94949 The results of the first phase of HD study suggested that exposure to

  6. Cutaneous challenge with chemical warfare agents in the SKH-1 hairless mouse (II): effects of some currently used skin decontaminants (RSDL and Fuller's earth) against liquid sulphur mustard and VX exposure.

    Science.gov (United States)

    Taysse, L; Dorandeu, F; Daulon, S; Foquin, A; Perrier, N; Lallement, G; Breton, P

    2011-06-01

    Using the hairless mouse screening model presented in the companion paper(1) the aim of this study was to assess two skin decontaminating systems: Fuller's earth (FE) and Reactive Skin Decontamination Lotion (RSDL) against two extremely toxic chemical warfare agents that represent a special percutaneous hazard, sulphur mustard (SM) and O-ethyl-S-(2[di-isopropylamino]ethyl)methyl-phosphonothioate (VX). Five minutes after being exposed on the back to either 2 µL of neat sulphur mustard or 50 µg.kg(-1) of diluted VX, mice were decontaminated. Both systems were able to reduce blisters 3 days after SM exposure. However, RSDL was found to be more efficient than FE in reducing the necrosis of the epidermis and erosion. In the case of VX exposure, RSDL, whatever the ratio of decontaminant to toxicant used (RSDL 10, 20, 50), was not able to sufficiently prevent the inhibition of plasma cholinesterases taken as a surrogate marker of exposure and toxicity. Only FE reduced significantly the ChE inhibition. Some of these observations are different from our previous results obtained in domestic swine and these changes are thus discussed in the perspective of using SKH-1 hairless mice for the initial in vivo screening of decontaminants.

  7. LIDAR for Detection of Chemical and Biological Warfare Agents

    Directory of Open Access Journals (Sweden)

    S Veerabuthiran

    2011-04-01

    Full Text Available Remote detection of chemical and biological warfare agents and toxic gases in the atmosphere is of current interest to both the military and civilian agencies. Out of all currently available techniques, no single technique provides efficient detection against such threats at significant standoff distances. Light detection and ranging (LIDAR technologies, based on the transmission of laser pulses and analysis of the return signals, have demonstrated impressive capabilities in remote detection of such toxic chemicals. LIDAR is a highly sensitive tool to detect the extremely low concentrations of various toxic agents present in the form of thin clouds at distances of few kilometer. The detection of these toxic clouds is based on the approach of first detecting and measuring the range of the clouds using the scattering phenomena and subsequently identifying the composition of toxic clouds using absorption and fluorescence phenomena. Laser Science and Technology Centre (LASTEC, Delhi has been working on the design and development of LIDAR systems for detection of chemical and biological warfare (CBW agents. In this paper, theoretical analysis of differential absorption LIDAR (DIAL for detection of chemical agents and fluorescence LIDAR for detection of biological agents has been discussed. For some typical parametric conditions, the received power levels from different ranges to detect specific concentrations of chemical or biological clouds have been computed and discussed. The technical details of the indigenously developed backscattering LIDAR, which detects and measures the distance of cloud layers up to 5 km is also presented.Defence Science Journal, 2011, 61(3, pp.241-250, DOI:http://dx.doi.org/10.14429/dsj.61.556

  8. Respiratory Protection Against Chemical and Biological Warfare Agents

    Directory of Open Access Journals (Sweden)

    G.K. Prasad

    2008-09-01

    Full Text Available Chemical and biological warfare (CBW agents pose unavoidable threat, both to soldiers and civilians.Exposure to such deadly agents amidst the CBW agents contaminated environment can be avoided bytaking proper protective measures. Respiratory protection is indispensable when the soldiers or civiliansare surrounded by such deadly environment as contamination-free air is needed for respiration purposes.In this context, an attempt has been made to review the literature for the past five decades on developmentof various protective devices for respiratory protection against aerosols, gases, and vapours of CBWagents. This review covers structural, textural, and adsorption properties of materials used in gas filtersand mechanical filters for the removal of CBW agents.Defence Science Journal, 2008, 58(5, pp.686-697, DOI:http://dx.doi.org/10.14429/dsj.58.1692

  9. Appendix C. Collection of Samples for Chemical Agent Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Koester, C; Thompson, C; Doerr, T; Scripsick, R

    2005-09-23

    This chapter describes procedures for the collection and analysis of samples of various matrices for the purpose of determining the presence of chemical agents in a civilian setting. This appendix is intended to provide the reader with sufficient information to make informed decisions about the sampling and analysis process and to suggest analytical strategies that might be implemented by the scientists performing sampling and analysis. This appendix is not intended to be used as a standard operating procedure to provide detailed instructions as to how trained scientists should handle samples. Chemical agents can be classified by their physical and chemical properties. Table 1 lists the chemical agents considered by this report. In selecting sampling and analysis methods, we have considered procedures proposed by the Organization for Prohibition of Chemical Weapons (OPCW), the U. S. Environmental Protection Agency (EPA), and peer-reviewed scientific literature. EPA analytical methods are good resources describing issues of quality assurance with respect to chain-of-custody, sample handling, and quality control requirements.

  10. Chemical cleaning agents and bonding to glass-fiber posts

    Directory of Open Access Journals (Sweden)

    Ana Paula Rodrigues Gonçalves

    2013-02-01

    Full Text Available The influence of chemical cleaning agents on the bond strength between resin cement and glass-fiber posts was investigated. The treatments included 10% hydrofluoric acid, 35% phosphoric acid, 50% hydrogen peroxide, acetone, dichloromethane, ethanol, isopropanol, and tetrahydrofuran. Flat glass-fiber epoxy substrates were exposed to the cleaners for 60 s. Resin cement cylinders were formed on the surfaces and tested in shear. All treatments provided increased bond strength compared to untreated control specimens. All failures were interfacial. Although all agents improved the bond strength, dichloromethane and isopropanol were particularly effective.

  11. Chemical cleaning agents and bonding to glass-fiber posts.

    Science.gov (United States)

    Gonçalves, Ana Paula Rodrigues; Ogliari, Aline de Oliveira; Jardim, Patrícia dos Santos; Moraes, Rafael Ratto de

    2013-01-01

    The influence of chemical cleaning agents on the bond strength between resin cement and glass-fiber posts was investigated. The treatments included 10% hydrofluoric acid, 35% phosphoric acid, 50% hydrogen peroxide, acetone, dichloromethane, ethanol, isopropanol, and tetrahydrofuran. Flat glass-fiber epoxy substrates were exposed to the cleaners for 60 s. Resin cement cylinders were formed on the surfaces and tested in shear. All treatments provided increased bond strength compared to untreated control specimens. All failures were interfacial. Although all agents improved the bond strength, dichloromethane and isopropanol were particularly effective.

  12. Chemically modified tetracyclines: The novel host modulating agents

    Directory of Open Access Journals (Sweden)

    Devulapalli Narasimha Swamy

    2015-01-01

    Full Text Available Periodontal pathogens and destructive host responses are involved in the initiation and progression of periodontitis. The emergence of host response modulation as a treatment concept has resulted from our improved understanding of the pathogenesis of periodontal disease. A variety of drugs have been evaluated as host modulation agents (HMA, including Non Steroidal Anti Inflammatory Drugs (NSAIDS, bisphosphonates, tetracyclines, enamel matrix proteins and bone morphogenetic proteins. Chemically modified tetracyclines (CMTs are one such group of drugs which have been viewed as potential host modulating agents by their anticollagenolytic property. The CMTs are designed to be more potent inhibitors of pro inflammatory mediators and can increase the levels of anti inflammatory mediators.

  13. Mustard Group Chemical War Agents from Preventive Medicine Perspective

    Directory of Open Access Journals (Sweden)

    Muharrem Ucar

    2007-06-01

    Full Text Available Although many preventive efforts and treaties, chemical warfare agents have still been a severe assault form against both military and civilian individuals. The most important chemical warfare agents sulphur mustard and others are easy to handle and cheap those the important reasons to accept sulphur mustard as a chemical warfare agent. Many individuals attacked by sulphur mustard have severe health problems such as respiratory system diseases. After ten years of sulphur mustard exposure, several health problems such as respiratory tract problems (%42.5, eye problems (%40 and other systemic diseases have been observed to insist on induviduals when examined. Exposure of even single sulphur mustard exposure has been seen to result high level of disability and early deaths. In spite of the fact that there is no available antidote and/or remedy against sulphur mustard exposure, our country has an incremental chemical assault threat for both military personels and civilians because of its jeopolitics position. Experimental studies regarding sulphur mustard toxicity will be helpful for novel preventive strategies and antidot devolepment. [TAF Prev Med Bull 2007; 6(3.000: 209-214

  14. Key Planning Factors for Recovery from a Chemical Warfare Agent Incident

    Science.gov (United States)

    2012-07-01

    chemical scenario involving the release of a blister agent (mustard lewisite) would result in a waste that the State of Colorado would regulate as... Waste Management ................................................................. 24 4.3 Key Planning Factors: Recovery Planning...Planning Factors, this document presents a chemical warfare agent scenario featuring Agent Yellow, a blister agent. Agent Yellow is a mixture of

  15. Infrared spectroscopy for chemical agent detection using tailored hypersorbent materials

    Science.gov (United States)

    Kozak, Dmitry A.; McGill, R. Andrew; Stievater, Todd H.; Furstenberg, Robert; Pruessner, Marcel W.; Nguyen, Viet

    2015-06-01

    We report long-wave infrared (LWIR, 5-15 μm) and mid-wave infrared (MWIR, 2.5 - 5 μm) differential absorption spectra of different nerve agent simulants and common solutes sorbed to poly(methyldi(1,1,1-trifluoro-2-trifluoromethyl- 2-hydroxypent-4-enyl)silane, HCSFA2, an NRL developed hypersorbent polymer. HCSFA2 is a strong hydrogen-bond acidic polymer which exhibits large gas-polymer partitions for a variety of hazardous chemicals with hydrogen-bond basic properties such as the phosphonate ester G-nerve agents or their simulants. The measured ATR-FTIR differential absorption spectra show complex fingerprint signal changes in the resonances for the sorbent material itself, as well as new resonances arising from chemical bonding between the solute or analyte and the sorbent or the solute itself being present in the sorbent.

  16. Agent-Based Chemical Plume Tracing Using Fluid Dynamics

    Science.gov (United States)

    Zarzhitsky, Dimitri; Spears, Diana; Thayer, David; Spears, William

    2004-01-01

    This paper presents a rigorous evaluation of a novel, distributed chemical plume tracing algorithm. The algorithm is a combination of the best aspects of the two most popular predecessors for this task. Furthermore, it is based on solid, formal principles from the field of fluid mechanics. The algorithm is applied by a network of mobile sensing agents (e.g., robots or micro-air vehicles) that sense the ambient fluid velocity and chemical concentration, and calculate derivatives. The algorithm drives the robotic network to the source of the toxic plume, where measures can be taken to disable the source emitter. This work is part of a much larger effort in research and development of a physics-based approach to developing networks of mobile sensing agents for monitoring, tracking, reporting and responding to hazardous conditions.

  17. The effect of alkaline agents on retention of EOR chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Lorenz, P.B.

    1991-07-01

    This report summarizes a literature survey on how alkaline agents reduce losses of surfactants and polymers in oil recovery by chemical injection. Data are reviewed for crude sulfonates, clean anionic surfactants, nonionic surfactants, and anionic and nonionic polymers. The role of mineral chemistry is briefly described. Specific effects of various alkaline anions are discussed. Investigations needed to improve the design of alkaline-surfactant-polymer floods are suggested. 62 refs., 28 figs., 6 tabs.

  18. A review on common chemical hemostatic agents in restorative dentistry

    Directory of Open Access Journals (Sweden)

    Pardis Tarighi

    2014-01-01

    Full Text Available Control of hemorrhage is one of the challenging situations dentists confront during deep cavity preparation and before impressions or cementation of restorations. For the best bond and least contamination it is necessary to be familiar with the hemostatic agents available on the market and to be able to choose the appropriate one for specific situations. This review tries to introduce the commercially available hemostatic agents, discusses their components and their specific features. The most common chemical agents that are widely used in restorative and prosthodontic dentistry according to their components and mechanism of action as well as their special uses are introduced. PubMed and Google Scholar were searched for studies involving gingival retraction and hemostatic agents from 1970 to 2013. Key search words including: "gingival retraction techniques, impression technique, hemostasis and astringent" were searched. Based on the information available in the literature, in order to achieve better results with impression taking and using resin bonding techniques, common hemostatic agents might be recommended before or during acid etching; they should be rinsed off properly and it is recommended that they be used with etch-and-rinse adhesive systems.

  19. Chemical Exchange Saturation Transfer (CEST) Agents: Quantum Chemistry and MRI.

    Science.gov (United States)

    Li, Jikun; Feng, Xinxin; Zhu, Wei; Oskolkov, Nikita; Zhou, Tianhui; Kim, Boo Kyung; Baig, Noman; McMahon, Michael T; Oldfield, Eric

    2016-01-04

    Diamagnetic chemical exchange saturation transfer (CEST) contrast agents offer an alternative to Gd(3+) -based contrast agents for MRI. They are characterized by containing protons that can rapidly exchange with water and it is advantageous to have these protons resonate in a spectral window that is far removed from water. Herein, we report the first results of DFT calculations of the (1) H nuclear magnetic shieldings in 41 CEST agents, finding that the experimental shifts can be well predicted (R(2) =0.882). We tested a subset of compounds with the best MRI properties for toxicity and for activity as uncouplers, then obtained mice kidney CEST MRI images for three of the most promising leads finding 16 (2,4-dihydroxybenzoic acid) to be one of the most promising CEST MRI contrast agents to date. Overall, the results are of interest since they show that (1) H NMR shifts for CEST agents-charged species-can be well predicted, and that several leads have low toxicity and yield good in vivo MR images.

  20. Chemical experiment through the microscope. II. ; Chemical garden. Kenbikyo wo shiyoshita kagaku jikken. II. ; Chemical garden

    Energy Technology Data Exchange (ETDEWEB)

    Ninomiya, A.

    1991-06-10

    This report describes the result of observation on chemical garden through the microscope. After putting some 2-3ml sodium silicate solution with fixed concentration into a cistern made of acrylic, various kinds of metallic salt with crystal size smaller than 2mm are added. The cistern is then placed on the stage of the microscope at an angle of 30{degree} to investigate buds growing from crystals of metallic salt specimens. Adopted concentrations of sodium silicate solution are 5%, 20%, and 50%. As a result, at the tips of growing buds, active motions of buds and increase of silicate in each kind of metal as reactive product are observed. In general, silicate concentration in the same metal increases conspicuously with lower concentration of sodium silicate solution. Moreover, it can be considered that the reason why chemical garden can be observed is not only because of difference in water pressure but also an important factor, the thickness of membranes at the tips of buds. 6 refs., 12 figs.

  1. Contaminación por agentes químicos Contamination by chemical agents

    Directory of Open Access Journals (Sweden)

    I. Santiago

    2003-01-01

    Full Text Available La contaminación por productos químicos es una situación clínica cuyo manejo precisa de una serie de conocimientos muy concretos por parte de los médicos de emergencias, al tener que conocer los tipos de agentes químicos más frecuentes y su mecanismo de acción. Este tipo de contaminación exige la existencia de unos planes concretos de actuación en el ámbito hospitalario y en coordinación con los mecanismos extrahospitalarios de emergencias. Al riesgo que supone el estar diariamente rodeados de productos químicos a escala industrial, con riesgo de escapes y accidentes durante su transporte e incluso en los domicilios, se une la posibilidad de utilización de diversos agentes químicos como armas de destrucción masiva, tanto en conflictos bélicos, como en actos terroristas.Contamination by chemical products is a clinical situation whose handling requires very specific knowledge by the physicians in the emergency services, since they must know the most frequent types of chemical agents and their mechanism of action. This type of contamination makes it necessary for there to be concrete plans of action in the hospital milieu and coordination with the emergency outpatient mechanisms. To the risk of being surrounded by chemical products on an industrial scale on a daily basis, and the risk of leaks and accidents during transport and even in private homes, there is now added the possible use of different chemical agents as weapons of mass destruction, both in military conflicts and in terrorist acts.

  2. The development of immunoassays for detection of chemical warfare agents

    Energy Technology Data Exchange (ETDEWEB)

    Lenz, D.E. [Army Medical Research Inst. of Chemical Defense, Aberdeen Proving Ground, MD (United States)

    1995-06-01

    With the advent of enzyme linked immunoabsorbant assays (ELISA) and monoclonal antibodies in the last two decades, there has been considerable effort devoted to the development of antibodies to detect and quantify low molecular weight toxic substances in environmental or biological fluids. Polyclonal antibodies against paraoxon (the toxic metabolite of parathion) were reported as capable of detecting paraoxon in body fluids at a level of 10{sup -9} M ({approximately}260 pg/mL) when used in a competitive inhibition enzyme immunoassay (CIEIA). Monoclonal antibodies developed against a structural analogue of the chemical warfare agent soman were capable of detecting soman in buffer solutions at a level of 10{sup -6} M ({approximately}180 ng/mL). In addition, these antibodies were highly specific for soman even in the presence of its major hydrolysis product. Subsequent studies with antisoman monoclonal antibodies reported an extension of the level of sensitivity to -80 ng/mL. Furthermore these antibodies did not cross react with other chemical warfare nerve agents such as sarin or tabun. In all cases, the time for a confirmatory test was two hours or less. Immunoassays for T-2 micotoxins have also been reported with a minimal detection range of 2 pg/assay to 50 ng/assay for the polyclonal and monoclonal T-2 antibodies respectively. These antibodies offer a sensitive, rapid and low cost approach to the diagnosis or detection of the presence of toxic chemical substances.

  3. Methodology and biological monitoring of exposure to chemical warfare agents

    Energy Technology Data Exchange (ETDEWEB)

    Shih, M.L.; Smith, J.R.; McMonagle, J.D. [Army Medical Research Inst. of Chemical Defense, Aberdeen Proving Ground, MD (United States)

    1995-06-01

    In the past few years, our institute has developed several GC/MS methods for the detection of the breakdown products of toxic organophosphonates (soman, sarin, GF) and vesicant sulfur mustard in biological samples. Recently we developed a modified GC/MS method for VX and are continually working on the methodology for lewisite and tabun. The purpose is to have an analytical tool to verify the exposure of chemical warfare agents in humans. Analytical procedures for quantitating the hydrolyzed phosphonic acids from nerve agents in environmental samples have been reported by many analysts. For more complex matrices such as biological samples, there is not yet a method reported. To make these polar acids amenable to gas chromatographic analysis a prior derivatization is needed. We found the pentafluorobenzyl ester derivatives of the phosphonates are suitable for verification and pharmacokinetic studies in biological samples. This method may also serve as an alternative method for confirmation purposes in environmental samples.

  4. The efficacy of chemical agents in cleaning and disinfection programs

    Directory of Open Access Journals (Sweden)

    Silva Martins Alzira

    2001-09-01

    Full Text Available Abstract Background Due to the growing number of outbreaks of infection in hospital nurseries, it becomes essential to set up a sanitation program that indicates that the appropriate chemical agent was chosen for application in the most effective way. Method For the purpose of evaluating the efficacy of a chemical agent, the minimum inhibitory concentration (MIC was reached by the classic method of successive broth dilutions. The reference bacteria utilized were Bacillus subtilis var. globigii ATCC 9372, Bacillus stearothermophilus ATCC 7953, Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 25923. The strains of Enterobacter cloacae IAL 1976 (Adolfo Lutz Institute, Serratia marcescens IAL 1478 and Acinetobactev calcoaceticus IAL 124 (ATCC 19606, were isolated from material collected from babies involved in outbreaks of infection in hospital nurseries. Results The MIC intervals, which reduced bacteria populations over 08 log10, were: 59 to 156 mg/L of quaternarium ammonium compounds (QACs; 63 to 10000 mg/L of chlorhexidine digluconate; 1375 to 3250 mg/L of glutaraldehyde; 39 to 246 mg/L of formaldehyde; 43750 to 87500 mg/L of isopropanol or ethanol; 1250 to 6250 mg/L of iodine in polyvinyl-pyrolidone complexes, 150 to 4491 mg/L of chlorine-releasing-agents (CRAs; 469 to 2500 mg/L of hydrogen peroxide; and, 2310 to 18500 mg/L of peracetic acid. Conclusions Chlorhexidine showed non inhibitory activity over germinating spores. A. calcoaceticus, was observed to show resistance to the majority of the agents tested, followed by E. cloacae and S. marcescens.

  5. The development of immunoassays for detection of chemical warfare agents

    Energy Technology Data Exchange (ETDEWEB)

    Lenz, D.E.; Brimfield, A.A.; Cook, L. [Army Medical Research Institute of Chemical Defense, Aberdeen Proving Ground, MD (United States)

    1996-10-01

    With the advent of enzyme linked immunoabsorbent assays (ELISA) and monoclonal antibodies in the last two decades, there has been considerable effort devoted to the development of antibodies to detect and quantify low molecular weight toxic substances in environmental or biological fluids. Polyclonal antibodies against paraoxon (the toxic metabolite of parathion) were capable of detecting paraoxon in body fluids at a level of 10{sup -9} M ({approximately}260 pg/mL) when used in a competitive inhibition enzyme immunoassay (CIEIA). Monoclonal antibodies developed against a structural analogue of the chemical warfare agent soman were capable of detection soman in buffer solutions at a level of 10{sup -6} M ({approximately}180 ng/mL). In addition these antibodies were found to be highly specific for soman even in the presence of its major hydrolysis product. Subsequent studies with antisoman monoclonal antibodies extended the level of sensitivity to {approximately}80 ng/mL. Furthermore these antibodies did not cross react with other chemical warfare nerve agents such as sarin or tabun. In all cases, the time for a confirmatory test was two hours or less. Immunoassays for T-2 micotoxins have also been reported with a minimal detection range of 2 pg/assay to 50 ng/assay for the polyclonal and monoclonal T-2 antibodies respectively. These reagents offer a sensitive, rapid and low cost approach to the diagnosis or detection of the presence of toxic chemical substances. More recent efforts have focussed on developing antibodies specific for sulfur mustard a highly reactive vesicating agent.

  6. Management of Root Resorption Using Chemical Agents: A Review

    Science.gov (United States)

    Mohammadi, Zahed; C. Cehreli, Zafer; Shalavi, Sousan; Giardino, Luciano; Palazzi, Flavio; Asgary, Saeed

    2016-01-01

    Root resorption (RR) is defined as the loss of dental hard tissues because of clastic activity inside or outside of tooth the root. In the permanent dentition, RR is a pathologic event; if untreated, it might result in the premature loss of the affected tooth. Several hypotheses have been suggested as the mechanisms of root resorption such as absence of the remnants of Hertwig's epithelial root sheath (HERS) and the absence of some intrinsic factors in cementum and predentin such as amelogenin or osteoprotegerin (OPG). It seems that a barrier is formed by the less-calcified intermediate cementum or the cementodentin junction that prevents external RR. There are several chemical strategies to manage root resorption. The purpose of this paper was to review several chemical agents to manage RR such as tetracycline, sodium hypochlorite, acids (citric acid, phosphoric acid, ascorbic acid and hydrochloric acid), acetazolamide, calcitonin, alendronate, fluoride, Ledermix and Emdogain. PMID:26843869

  7. Evaluation of SERS substrates for chemical agent detection

    Science.gov (United States)

    Huang, Hermes; Shende, Chetan; Sengupta, Atanu; Inscore, Frank; Farquharson, Stuart

    2012-06-01

    US Military forces are dependent on indigenous water supplies, which are considered prime targets to effect a chemical or biological attack. Consequently, there is a clear need for a portable analyzer capable of evaluating water supplies prior to use. To this end we have been investigating the use of a portable Raman analyzer with surface-enhanced Raman spectroscopy (SERS) sampling systems. The superior selectivity and exceptional sensitivity of SERS has been demonstrated by the detection of single molecules. However, the extreme sensitivity provided by SERS is attributed to "hot spot" structures, such as particle junctions that can provide as much as 10 orders of magnitude enhancement. Unfortunately, hotspots are not evenly distributed across substrates, which results in enhancements that cannot be quantitatively reproduced. Here we present analysis of uniformity for a newly developed substrate and commercial sample vials using benzenethiol and bispyridylethylene, two chemicals often used to characterize SERS substrates, and methyl phosphonic acid, a major hydrolysis product of the nerve agents.

  8. Hand-Held Devices Detect Explosives and Chemical Agents

    Science.gov (United States)

    2010-01-01

    Ion Applications Inc., of West Palm Beach, Florida, partnered with Ames Research Center through Small Business Innovation Research (SBIR) agreements to develop a miniature version ion mobility spectrometer (IMS). While NASA was interested in the instrument for detecting chemicals during exploration of distant planets, moons, and comets, the company has incorporated the technology into a commercial hand-held IMS device for use by the military and other public safety organizations. Capable of detecting and identifying molecules with part-per-billion sensitivity, the technology now provides soldiers with portable explosives and chemical warfare agent detection. The device is also being adapted for detecting drugs and is employed in industrial processes such as semiconductor manufacturing.

  9. Tetrachloroethene degradation by reducing-agent enhanced Fe(II)/Fe(III) catalyzed percarbonate

    Science.gov (United States)

    Miao, Z.; Brusseau, M. L.; Lu, S.; Gu, X.; Yan, N.; Qiu, Z.; Sui, Q.

    2015-12-01

    This project investigated the effect of reducing agents on the degradation of tetrachloroethene(PCE) by Fe(II)/Fe(III) catalyzed sodium percarbonate (SPC). SPC possesses similar function as liquid H2O2, such that free H2O2 is released into solution when percarbonate is mixed with water. The addition of reducing agents, including hydroxylamine hydrochloride, sodium sulfite, ascorbic acid and sodium ascorbate, accelerated the Fe(III)/Fe(II) redoxcycle, leading to a relatively steady Fe(II) concentration and higher production of free radicals. This, in turn, resulted in enhanced PCE oxidation by SPC, with almost complete PCE removal obtained for appropriate Fe and SPC concentrations.The results of chemical probe tests, using nitrobenzene and carbon tetrachloride, demonstrated that HO● was the predominant radical in the system and that O2●-played a minor role. This was further confirmed by the results of electron paramagnetic resonance measurements and salicylic acid hydroxylationanalysis by high performance liquid chromatography(HPLC). PCE degradation decreased significantly with the addition of isopropanol, a strong HO● scavenger, supporting the hypothesis that HO● was primarily responsible for PCE degradation. It should be noted that the release of Cl- was slightly delayed in the first 20 mins, indicating that intermediate products were produced. However, gas chromatography mass spectrometry (GC/MS) analysis did not detect any chlorinated organic compound except PCE, indicating these intermediates were quickly degraded, which resulted in the complete conversion of PCE to CO2. In conclusion, the use of reducing agents to enhance Fe(II)/Fe(III) catalyzed SPC oxidation appears to be a promising approach for the rapid degradation of organic contaminants in groundwater.

  10. Mass spectrometric analysis of chemical warfare agents in support of a chemical terrorist event

    Energy Technology Data Exchange (ETDEWEB)

    Hancock, J.R.; D' Agostino, P.A.; Chenier, C.L. [Defence R and D Canada Suffield, Medicine Hat, AB (Canada)

    2003-07-01

    Chemical warfare (CW) agents are considered to be any chemicals which, through their chemical action on life processes can cause death, temporary incapacitation or permanent harm to humans or animals. In Canada, the probability of a CW terrorist attack is low despite the catastrophic consequences that would result from such an attack. The three levels of government would be responding to such an event. CW agent response training for all levels of government is offered at Defence R and D Canada-Suffield. Appropriate samples must be collected for analysis in a laboratory, as such an event would lead to a criminal investigation. Research into new methods for the identification of CW agents is being conducted by the analytical laboratory at Defence R and D Canada-Suffield. Gas chromatography and mass spectrometry (GC-MS) are being used extensively to separate and characterize CW agents in organic extracts. In the case of aqueous samples, another method might be more appropriate, since additional sample handling is required before GC-MS analysis can be performed. Minimal sample handling is required when using liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) for direct analysis of CW agents. The authors demonstrated the use of LC-ESI-MS for analyzing CW agents and their hydrolysis products in aqueous samples. For the analysis of nerve agents and phosphonic acids in soil, comparable or superior results to organic extraction and GC-MS were obtained for aqueous extractions followed by LC-ESI-MS. The combination of GC-MS and LC-ESI-MS for the analysis of mustard related compounds in soil extracts from a former mustard storage area showed that the two methods are complementary in this situation. 9 refs., 3 tabs., 5 figs.

  11. Synthesis, spectral and quantum chemical studies and use of (E)-3-[(3,5-bis(trifluoromethyl)phenylimino)methyl]benzene-1,2-diol and its Ni(II) and Cu(II) complexes as an anion sensor, DNA binding, DNA cleavage, anti-microbial, anti-mutagenic and anti-cancer agent

    Science.gov (United States)

    Ünver, Hüseyin; Boyacıoğlu, Bahadır; Zeyrek, Celal Tuğrul; Yıldız, Mustafa; Demir, Neslihan; Yıldırım, Nuray; Karaosmanoğlu, Oğuzhan; Sivas, Hülya; Elmalı, Ayhan

    2016-12-01

    We report the synthesis of a novel Schiff base (E)-3-[(3,5-bis(trifluoromethyl) phenylimino)methyl] benzene-1,2-diol from the reaction of 2,3-dihydroxybenzaldehyde with 3,5-bis(trifluoromethyl)aniline, and its Ni(II) and Cu(II) complexes. The molecular structure of the Schiff base was experimentally determined using X-ray single-crystal data and was compared to the structure predicted by theoretical calculations using density functional theory (DFT), Hartree-Fock (HF) and Möller-Plesset second-order perturbation (MP2). In addition, nonlinear optical (NLO) effects of the compound was predicted using DFT. The antimicrobial activities of the compounds were investigated for their minimum inhibitory concentration. UV-Vis spectroscopy studies of the interactions between the compounds and calf thymus DNA (CT-DNA) showed that the compounds interacts with CT-DNA via intercalative binding. A DNA cleavage study showed that the Cu(II) complex cleaved DNA without any external agents. The compounds inhibited the base pair mutation in the absence of S9 with high inhibition rate. In addition, in vitro cytotoxicity of the Ni(II) complex towards HepG2 cell line was assayed by the MTT method. Also, the colorimetric response of the Schiff base in DMSO to the addition of equivalent amount of anions (F-, Br-, I-, CN-, SCN-, ClO4-, HSO4-, AcO-, H2PO4-, N3- and OH-) was investigated. In this regard, while the addition of F-, CN-, AcO- and OH- anions into the solution containing Schiff base resulted in a significant color change, the addition of Br-, I-, SCN-, ClO4-, HSO4-, H2PO4- and N3- anions resulted in no color change. The most discernable color change in the Schiff base was caused by CN-, which demonstrated that the ligand can be used to selectively detect CN-.

  12. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhi, K. T., E-mail: arulsheelphy@gmail.com [Physics Wing (DDE), Annamalai University, Tamil Nadu, India - 608 002 (India); Mythili, N. [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)

    2013-12-15

    Lead oxide (PbO) nanoparticles were chemically synthesized using Lead (II) acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA) and Cetryl Tri Methyl Butoxide (CTAB) on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD), Fourier Transform-Infrared spectroscopy (FT-IR), Photoluminescence (PL) Field Emission Scanning Electron Microscopy (FE-SEM), Energy Dispersive Spectroscopy (EDS) and Transmission Electron Microscopy (TEM) were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  13. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    Directory of Open Access Journals (Sweden)

    K. T. Arulmozhi

    2013-12-01

    Full Text Available Lead oxide (PbO nanoparticles were chemically synthesized using Lead (II acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA and Cetryl Tri Methyl Butoxide (CTAB on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD, Fourier Transform-Infrared spectroscopy (FT-IR, Photoluminescence (PL Field Emission Scanning Electron Microscopy (FE-SEM, Energy Dispersive Spectroscopy (EDS and Transmission Electron Microscopy (TEM were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  14. Anti-ulcer agents: chemical aspect of solving the problem

    Science.gov (United States)

    Rogoza, L. N.; Salakhutdinov, N. F.

    2015-01-01

    The data on chemical structures and specific activities of compounds functioning as histamine H2-receptor antagonists, H+/K+-ATPase inhibitors at the exchange sites of hydrogen ions (proton pump inhibitors) and potassium ions (K+-competitive acid blockers) published from 1990 to 2013 are surveyed. The antisecretory agents with studied cytoprotective activity or with additional therapeutic properties compensating for disorders of internal defence mechanisms are presented. A separate section is devoted to the drugs that prevent or mitigate the NSAID-induced intestinal damage. All of the considered structures are classified according to the type of biological mechanism of action. Some aspects of the structure-activity relationships for such compounds are considered. The bibliography includes 83 references.

  15. Fabrication of SAW Sensor for Detecting Chemical Agent

    Institute of Scientific and Technical Information of China (English)

    J H Lee; B S Joo; J S Huh; D D Lee

    2006-01-01

    SAW sensors using five different types of polymer to detect of chemical agents (DMMP, CH3CN, CH2Cl2, DCP)have been fabricated and its gas response characteristics were extensively investigated. The polymers used as the sensing material are polyisobutylene (PIB), polyepichlorohydrin (PECH), polydimethylsiloxane (PDMS), polyisoprene(PIP) and polybutadiene(PBD). Their thin films were coated on quartz substrate by spin coating technique. Three types of simulants gases, dimethylmethylphosphonate(DMMP), acetonitrile (CH3CN) and dichloromethane(CH2Cl2), dichloropentane(DCP) were used as target gases, instead of the real nerve, blood, choking and vesicant agents. After spin coating of PIB and PECH, the substrates were heated to 65℃ with N2 flow for 1 h to remove the cyclohexane and ethylacetate which was used as solvent.PDMS was heated to 75℃ with N2 flow for 2 h to remove the ethylacetate which was used as solvent. PBD and PIP on the substrate were heated to 60℃ with N2 flow for 1 h to remove the benzen which was used as solvent. The sensing characteristics of the SAW sensors were measured by using E-5061A network analyzer.

  16. 28 CFR 552.25 - Use of chemical agents or non-lethal weapons.

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Use of chemical agents or non-lethal weapons. 552.25 Section 552.25 Judicial Administration BUREAU OF PRISONS, DEPARTMENT OF JUSTICE... agents or non-lethal weapons. The Warden may authorize the use of chemical agents or non-lethal...

  17. Antidotes and treatments for chemical warfare/terrorism agents: an evidence-based review.

    Science.gov (United States)

    Rodgers, G C; Condurache, C T

    2010-09-01

    This article reviews the evidence supporting the efficacy of antidotes used or recommended for the potential chemical warfare agents of most concern. Chemical warfare agents considered include cyanide, vesicants, pulmonary irritants such as chlorine and phosgene, and nerve agents. The strength of evidence for most antidotes is weak, highlighting the need for additional research in this area.

  18. Fate of chemical warfare agents and toxic industrial chemicals in landfills.

    Science.gov (United States)

    Bartelt-Hunt, Shannon L; Barlaz, Morton A; Knappe, Detlef R U; Kjeldsen, Peter

    2006-07-01

    One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis half-lives. Monte Carlo simulations were performed to assess the influence of uncertainty in model input parameters on CWA/TIC fate predictions. Correlation analyses showed that uncertainty in hydrolysis rate constants was the primary contributor to variance of CWA fate predictions, while uncertainty in the Henry's Law constant and landfill gas-production rate accounted for most of the variance of TIC fate predictions. CWA hydrolysates were more persistent than the parent CWAs, but limited information is available on abiotic or biotic transformation rates for these chemicals.

  19. Multidimensional chemical modelling, II. Irradiated outflow walls

    CERN Document Server

    Bruderer, Simon; Doty, Steven D; van Dishoeck, Ewine F; Bourke, Tyler L

    2009-01-01

    Observations of the high-mass star forming region AFGL 2591 reveal a large abundance of CO+, a molecule known to be enhanced by far UV (FUV) and X-ray irradiation. In chemical models assuming a spherically symmetric envelope, the volume of gas irradiated by protostellar FUV radiation is very small due to the high extinction by dust. The abundance of CO+ is thus underpredicted by orders of magnitude. In a more realistic model, FUV photons can escape through an outflow region and irradiate gas at the border to the envelope. Thus, we introduce the first 2D axi-symmetric chemical model of the envelope of a high-mass star forming region to explain the CO+ observations as a prototypical FUV tracer. The model assumes an axi-symmetric power-law density structure with a cavity due to the outflow. The local FUV flux is calculated by a Monte Carlo radiative transfer code taking scattering on dust into account. A grid of precalculated chemical abundances, introduced in the first part of this series of papers, is used to ...

  20. Deactivating Chemical Agents Using Enzyme-Coated Nanofibers Formed by Electrospinning

    Science.gov (United States)

    2016-01-01

    January 2012 4. TITLE AND SUBTITLE DEACTIVATING CHEMICAL AGENTS USING ENZYME- COATED NANOFIBERS FORMED BY ELECTROSPINNING 5a. CONTRACT NUMBER 5b...298 (Rev. 8-98) Prescribed by ANSI Std. Z39.18 MATS COATINGS ELECTROSPINNING CHEMICAL WARFARE...This page intentionally left blank 1 Deactivating Chemical Agents Using Enzyme- Coated Nanofibers formed by Electrospinning D

  1. Volcanic lake systematics II. Chemical constraints

    Science.gov (United States)

    Varekamp, J.C.; Pasternack, G.B.; Rowe, G.L.

    2000-01-01

    A database of 373 lake water analyses from the published literature was compiled and used to explore the geochemical systematics of volcanic lakes. Binary correlations and principal component analysis indicate strong internal coherence among most chemical parameters. Compositional variations are influenced by the flux of magmatic volatiles and/or deep hydrothermal fluids. The chemistry of the fluid entering a lake may be dominated by a high-temperature volcanic gas component or by a lower-temperature fluid that has interacted extensively with volcanic rocks. Precipitation of minerals like gypsum and silica can strongly affect the concentrations of Ca and Si in some lakes. A much less concentrated geothermal input fluid provides the mineralized components of some more dilute lakes. Temporal variations in dilution and evaporation rates ultimately control absolute concentrations of dissolved constituents, but not conservative element ratios. Most volcanic lake waters, and presumably their deep hydrothermal fluid inputs, classify as immature acid fluids that have not equilibrated with common secondary silicates such as clays or zeolites. Many such fluids may have equilibrated with secondary minerals earlier in their history but were re-acidified by mixing with fresh volcanic fluids. We use the concept of 'degree of neutralization' as a new parameter to characterize these acid fluids. This leads to a classification of gas-dominated versus rock-dominated lake waters. A further classification is based on a cluster analysis and a hydrothermal speedometer concept which uses the degree of silica equilibration of a fluid during cooling and dilution to evaluate the rate of fluid equilibration in volcano-hydrothermal systems.

  2. Human scalp permeability to the chemical warfare agent VX.

    Science.gov (United States)

    Rolland, P; Bolzinger, M-A; Cruz, C; Briançon, S; Josse, D

    2011-12-01

    The use of chemical warfare agents such as VX in terrorism act might lead to contamination of the civilian population. Human scalp decontamination may require appropriate products and procedures. Due to ethical reasons, skin decontamination studies usually involve in vitro skin models, but human scalp skin samples are uncommon and expensive. The purpose of this study was to characterize the in vitro permeability to VX of human scalp, and to compare it with (a) human abdominal skin, and (b) pig skin from two different anatomic sites: ear and skull roof, in order to design a relevant model. Based on the VX skin permeation kinetics and distribution, we demonstrated that (a) human scalp was significantly more permeable to VX than abdominal skin and (b) pig-ear skin was the most relevant model to predict the in vitro human scalp permeability. Our results indicated that the follicular pathway significantly contributed to the skin absorption of VX through human scalp. In addition, the hair follicles and the stratum corneum significantly contributed to the formation of a skin reservoir for VX.

  3. Rapid Ultrasensitive Chemical-Fingerprint Detection of Chemical and Biochemical Warfare Agents

    Energy Technology Data Exchange (ETDEWEB)

    ASHBY, CAROL I.; SHEPODD, TIMOTHY J.; YELTON, WILLIAM G.; MURON, DAVID J.

    2002-12-01

    Vibrational spectra can serve as chemical fingerprints for positive identification of chemical and biological warfare molecules. The required speed and sensitivity might be achieved with surface-enhanced Raman spectroscopy (SERS) using nanotextured metal surfaces. Systematic and reproducible methods for preparing metallic surfaces that maximize sensitivity have not been previously developed. This work sought to develop methods for forming high-efficiency metallic nanostructures that can be integrated with either gas or liquid-phase chem-lab-on-a-chip separation columns to provide a highly sensitive, highly selective microanalytical system for detecting current and future chem/bio agents. In addition, improved protein microchromatographic systems have been made by the creation of acrylate-based porous polymer monoliths that can serve as protein preconcentrators to reduce the optical system sensitivity required to detect and identify a particular protein, such as a bacterial toxin.

  4. Blaptica dubia as sentinels for exposure to chemical warfare agents - a pilot study.

    Science.gov (United States)

    Worek, Franz; Seeger, Thomas; Neumaier, Katharina; Wille, Timo; Thiermann, Horst

    2016-11-16

    The increased interest of terrorist groups in toxic chemicals and chemical warfare agents presents a continuing threat to our societies. Early warning and detection is a key component for effective countermeasures against such deadly agents. Presently available and near term solutions have a number of major drawbacks, e.g. lack of automated, remote warning and detection of primarily low volatile chemical warfare agents. An alternative approach is the use of animals as sentinels for exposure to toxic chemicals. To overcome disadvantages of vertebrates the present pilot study was initiated to investigate the suitability of South American cockroaches (Blaptica dubia) as warning system for exposure to chemical warfare nerve and blister agents. Initial in vitro experiments with nerve agents showed an increasing inhibitory potency in the order tabun - cyclosarin - sarin - soman - VX of cockroach cholinesterase. Exposure of cockroaches to chemical warfare agents resulted in clearly visible and reproducible reactions, the onset being dependent on the agent and dose. With nerve agents the onset was related to the volatility of the agents. The blister agent lewisite induced signs largely comparable to those of nerve agents while sulfur mustard exposed animals exhibited a different sequence of events. In conclusion, this first pilot study indicates that Blaptica dubia could serve as a warning system to exposure of chemical warfare agents. A cockroach-based system will not detect or identify a particular chemical warfare agent but could trigger further actions, e.g. specific detection and increased protective status. By designing appropriate boxes with (IR) motion sensors and remote control (IR) camera automated off-site warning systems could be realized.

  5. Achieving hemostasis in dermatology-Part II: Topical hemostatic agents

    Directory of Open Access Journals (Sweden)

    Jaimie B Glick

    2013-01-01

    Full Text Available Bleeding is a common occurrence during any dermatologic surgery that disrupts blood vessels. The complications of excess bleeding can include delayed wound healing, hematoma formation, infection, dehiscence, and necrosis. In part one of this review, we discussed the pre-operative, intra-operative, and post-operative management of patients undergoing dermatologic surgery. In Part two, we discuss traditional and new topical hemostatic agents used to achieve hemostasis in dermatological procedures and surgery. We will evaluate the caustic and non-caustic hemostatic agents as well as hemostatic dressings. The mechanisms of action, side effect profile, and advantages and disadvantages of the topical hemostatic agents are provided. Sources for this article were found searching the English literature in PubMed for the time period 1940 to March 2012. A thorough bibliography search was also performed and key references examined.

  6. Permeation Testing of Materials With Chemical Agents or Simulants (Swatch Testing)

    Science.gov (United States)

    2013-08-05

    chemical warfare agent (CWA) and simulant challenges through swatches of materials. Such agents include the blister agent, distilled mustard (HD) and the...2) general and specialized chemical analysis, (3) emergency response provisions, and (4) hazardous waste storage and disposal. Swatch test...moni- tor. The effluent from the vapor generator will be routed to the waste air until the challenge con- centration for the trial has stabilized

  7. Estimated Chemical Warfare Agent Surface Clearance Goals for Remediation Pre-Planning

    Energy Technology Data Exchange (ETDEWEB)

    Dolislager, Frederick [University of Tennessee, Knoxville (UTK); Bansleben, Dr. Donald [U.S. Department of Homeland Security; Watson, Annetta Paule [ORNL

    2010-01-01

    Health-based surface clearance goals, in units of mg/cm2, have been developed for the persistent chemical warfare agents sulfur mustard (HD) and nerve agent VX as well as their principal degradation products. Selection of model parameters and critical receptor (toddler child) allow calculation of surface residue estimates protective for the toddler child, the general population and adult employees of a facilty that has undergone chemical warfare agent attack.

  8. Advances in toxicology and medical treatment of chemical warfare nerve agents

    Directory of Open Access Journals (Sweden)

    Moshiri Mohammd

    2012-11-01

    Full Text Available Abstract Organophosphorous (OP Nerve agents (NAs are known as the deadliest chemical warfare agents. They are divided into two classes of G and V agents. Most of them are liquid at room temperature. NAs chemical structures and mechanisms of actions are similar to OP pesticides, but their toxicities are higher than these compounds. The main mechanism of action is irreversible inhibition of Acetyl Choline Esterase (AChE resulting in accumulation of toxic levels of acetylcholine (ACh at the synaptic junctions and thus induces muscarinic and nicotinic receptors stimulation. However, other mechanisms have recently been described. Central nervous system (CNS depression particularly on respiratory and vasomotor centers may induce respiratory failure and cardiac arrest. Intermediate syndrome after NAs exposure is less common than OP pesticides poisoning. There are four approaches to detect exposure to NAs in biological samples: (I AChE activity measurement, (II Determination of hydrolysis products in plasma and urine, (III Fluoride reactivation of phosphylated binding sites and (IV Mass spectrometric determination of cholinesterase adducts. The clinical manifestations are similar to OP pesticides poisoning, but with more severity and fatalities. The management should be started as soon as possible. The victims should immediately be removed from the field and treatment is commenced with auto-injector antidotes (atropine and oximes such as MARK I kit. A 0.5% hypochlorite solution as well as novel products like M291 Resin kit, G117H and Phosphotriesterase isolated from soil bacterias, are now available for decontamination of NAs. Atropine and oximes are the well known antidotes that should be infused as clinically indicated. However, some new adjuvant and additional treatment such as magnesium sulfate, sodium bicarbonate, gacyclidine, benactyzine, tezampanel, hemoperfusion, antioxidants and bioscavengers have recently been used for OP NAs poisoning.

  9. Keratin sponge/hydrogel II, active agent delivery

    Science.gov (United States)

    Keratin sponge/hydrogels from oxidation and reduction hydrolysis of fine and coarse wool fibers were formed to behave as cationic hydrogels to swell and release active agents in the specific region of the gastro-intestinal (GI) tract. Their porous, interpenetrating networks (IPN) were effective for...

  10. Toxicity of the Organophosphate Chemical Warfare Agents GA, GB, and VX: Implications for Public Protection.

    OpenAIRE

    Munro, N

    1994-01-01

    The nerve agents, GA, GB, and VX are organophosphorus esters that form a major portion of the total agent volume contained in the U.S. stockpile of unitary chemical munitions. Congress has mandated the destruction of these agents, which is currently slated for completion in 2004. The acute, chronic, and delayed toxicity of these agents is reviewed in this analysis. The largely negative results from studies of genotoxicity, carcinogenicity, developmental, and reproductive toxicity are also pre...

  11. Preparation of a Cobalt(II) Cage: An Undergraduate Laboratory Experiment That Produces a ParaSHIFT Agent for Magnetic Resonance Spectroscopy

    Science.gov (United States)

    Burns, Patrick J.; Tsitovich, Pavel B.; Morrow, Janet R.

    2016-01-01

    Laboratory experiments that demonstrate the effect of paramagnetic complexes on chemical shifts and relaxation times of protons are a useful way to introduce magnetic resonance spectroscopy (MRS) probes or magnetic resonance imaging (MRI) contrast agents. In this undergraduate inorganic chemistry experiment, a paramagnetic Co(II) cage complex is…

  12. Decontamination of chemical agents from drinking water infrastructure: a literature review and summary.

    Science.gov (United States)

    Szabo, Jeff; Minamyer, Scott

    2014-11-01

    This report summarizes the current state of knowledge on the persistence of chemical contamination on drinking water infrastructure (such as pipes) along with information on decontamination should persistence occur. Decontamination options for drinking water infrastructure have been explored for some chemical contaminants, but important data gaps remain. In general, data on chemical persistence on drinking water infrastructure is available for inorganics such as arsenic and mercury, as well as select organics such as petroleum products, pesticides and rodenticides. Data specific to chemical warfare agents and pharmaceuticals was not found and data on toxins is scant. Future research suggestions focus on expanding the available chemical persistence data to other common drinking water infrastructure materials. Decontaminating agents that successfully removed persistent contamination from one infrastructure material should be used in further studies. Methods for sampling or extracting chemical agents from water infrastructure surfaces are needed.

  13. Chemical biology drug sensitivity screen identifies sunitinib as synergistic agent with disulfiram in prostate cancer cells.

    Directory of Open Access Journals (Sweden)

    Kirsi Ketola

    Full Text Available BACKGROUND: Current treatment options for castration- and treatment-resistant prostate cancer are limited and novel approaches are desperately needed. Our recent results from a systematic chemical biology sensitivity screen covering most known drugs and drug-like molecules indicated that aldehyde dehydrogenase inhibitor disulfiram is one of the most potent cancer-specific inhibitors of prostate cancer cell growth, including TMPRSS2-ERG fusion positive cancers. However, the results revealed that disulfiram alone does not block tumor growth in vivo nor induce apoptosis in vitro, indicating that combinatorial approaches may be required to enhance the anti-neoplastic effects. METHODS AND FINDINGS: In this study, we utilized a chemical biology drug sensitivity screen to explore disulfiram mechanistic details and to identify compounds potentiating the effect of disulfiram in TMPRSS2-ERG fusion positive prostate cancer cells. In total, 3357 compounds including current chemotherapeutic agents as well as drug-like small molecular compounds were screened alone and in combination with disulfiram. Interestingly, the results indicated that androgenic and antioxidative compounds antagonized disulfiram effect whereas inhibitors of receptor tyrosine kinase, proteasome, topoisomerase II, glucosylceramide synthase or cell cycle were among compounds sensitizing prostate cancer cells to disulfiram. The combination of disulfiram and an antiangiogenic agent sunitinib was studied in more detail, since both are already in clinical use in humans. Disulfiram-sunitinib combination induced apoptosis and reduced androgen receptor protein expression more than either of the compounds alone. Moreover, combinatorial exposure reduced metastatic characteristics such as cell migration and 3D cell invasion as well as induced epithelial differentiation shown as elevated E-cadherin expression. CONCLUSIONS: Taken together, our results propose novel combinatorial approaches to inhibit

  14. Chemical Biology Drug Sensitivity Screen Identifies Sunitinib as Synergistic Agent with Disulfiram in Prostate Cancer Cells

    Science.gov (United States)

    Ketola, Kirsi; Kallioniemi, Olli; Iljin, Kristiina

    2012-01-01

    Background Current treatment options for castration- and treatment-resistant prostate cancer are limited and novel approaches are desperately needed. Our recent results from a systematic chemical biology sensitivity screen covering most known drugs and drug-like molecules indicated that aldehyde dehydrogenase inhibitor disulfiram is one of the most potent cancer-specific inhibitors of prostate cancer cell growth, including TMPRSS2-ERG fusion positive cancers. However, the results revealed that disulfiram alone does not block tumor growth in vivo nor induce apoptosis in vitro, indicating that combinatorial approaches may be required to enhance the anti-neoplastic effects. Methods and Findings In this study, we utilized a chemical biology drug sensitivity screen to explore disulfiram mechanistic details and to identify compounds potentiating the effect of disulfiram in TMPRSS2-ERG fusion positive prostate cancer cells. In total, 3357 compounds including current chemotherapeutic agents as well as drug-like small molecular compounds were screened alone and in combination with disulfiram. Interestingly, the results indicated that androgenic and antioxidative compounds antagonized disulfiram effect whereas inhibitors of receptor tyrosine kinase, proteasome, topoisomerase II, glucosylceramide synthase or cell cycle were among compounds sensitizing prostate cancer cells to disulfiram. The combination of disulfiram and an antiangiogenic agent sunitinib was studied in more detail, since both are already in clinical use in humans. Disulfiram-sunitinib combination induced apoptosis and reduced androgen receptor protein expression more than either of the compounds alone. Moreover, combinatorial exposure reduced metastatic characteristics such as cell migration and 3D cell invasion as well as induced epithelial differentiation shown as elevated E-cadherin expression. Conclusions Taken together, our results propose novel combinatorial approaches to inhibit prostate cancer cell

  15. Quantifying the uncertainties of chemical evolution studies. II. Stellar yields

    CERN Document Server

    Romano, D; Tosi, M; Matteucci, F

    2010-01-01

    This is the second paper of a series which aims at quantifying the uncertainties in chemical evolution model predictions related to the underlying model assumptions. Specifically, it deals with the uncertainties due to the choice of the stellar yields. We adopt a widely used model for the chemical evolution of the Galaxy and test the effects of changing the stellar nucleosynthesis prescriptions on the predicted evolution of several chemical species. We find that, except for a handful of elements whose nucleosynthesis in stars is well understood by now, large uncertainties still affect the model predictions. This is especially true for the majority of the iron-peak elements, but also for much more abundant species such as carbon and nitrogen. The main causes of the mismatch we find among the outputs of different models assuming different stellar yields and among model predictions and observations are: (i) the adopted location of the mass cut in models of type II supernova explosions; (ii) the adopted strength ...

  16. A Chemically Synthesized Capture Agent Enables the Selective, Sensitive, and Robust Electrochemical Detection of Anthrax Protective Antigen

    Science.gov (United States)

    2014-08-01

    A Chemically Synthesized Capture Agent Enables the Selective, Sensitive, and Robust Electrochemical Detection of Anthrax Protective Antigen...A Chemically Synthesized Capture Agent Enables the Selective, Sensitive, and Robust Electrochemical Detection of Anthrax Protective Antigen...AND SUBTITLE A Chemically Synthesized Capture Agent Enables the Selective, Sensitive, and Robust Electrochemical Detection of Anthrax Protective

  17. Physico-Chemical Study of Barium (II) Dipivaloylmethanate Nature

    OpenAIRE

    Fedotova, N.; Igumenov, I.; Mamatyuk, V.; Sidorenko, G.

    1995-01-01

    A physico-chemical research of bis-(dipivaloylmethanato)baryum(II) (Ba(thd)2) has been carried out from the point of its use in CVD process as a precursor (thermal stability, immunity to external effects and etc.). The optimal conditions for synthesis, purification and storage have been found. It has been shown, that the sublimated product presents a mixture of several modifications with the main phase of a composition Ba4(th)8. At a lowered pressure the sublimated product is preserved withou...

  18. Reactive skin decontamination lotion (RSDL) for the decontamination of chemical warfare agent (CWA) dermal exposure.

    Science.gov (United States)

    Schwartz, M D; Hurst, C G; Kirk, M A; Reedy, S J D; Braue, E H

    2012-08-01

    Rapid decontamination of the skin is the single most important action to prevent dermal absorption of chemical contaminants in persons exposed to chemical warfare agents (CWA) and toxic industrial chemicals (TICs) as a result of accidental or intentional release. Chemicals on the skin may be removed by mechanical means through the use of dry sorbents or water. Recent interest in decontamination systems which both partition contaminants away from the skin and actively neutralize the chemical has led to the development of several reactive decontamination solutions. This article will review the recently FDA-approved Reactive Skin Decontamination Lotion (RSDL) and will summarize the toxicity and efficacy studies conducted to date. Evidence of RSDL's superior performance against vesicant and organophosphorus chemical warfare agents compared to water, bleach, and dry sorbents, suggests that RSDL may have a role in mass human exposure chemical decontamination in both the military and civilian arenas.

  19. Portable Sensor for Chemical Nerve Agents and Organophosphorus Compounds

    Science.gov (United States)

    2015-08-18

    III) and Fe(II) Kristopher Brown Abstract Some of the major objectives of analytical chemistry research include the search for quick ...Crystalline Colloidal Array Thin Film Modified ?-Cyclodextrin for the Detection of Organophosphate Compounds, Analytical and Bioanalytical Chemistry (07...Discipline Kristopher Brown 0.30 Chemistry Charlene N. Middlebrooks 0.30 Chemistry Juan Onto 0.20 Chemistry KaBreshiya Austin 0.30 Forensic Science

  20. Control of Dermatomycoses by Physical, Chemical and Biological Agents.

    Science.gov (United States)

    1978-10-31

    were purchased from Sigma Chemical Co. (St. Louis , Mo.). Lycopene was Isolated from tomato according to the method described by Weedor (22...Bacteriol . To E~e pub1Ished in December 1978. 4. Emyanitoff, R. G. and 1. ~1ashimoto . The effect of temperature ,Incubation atmosphere and medium

  1. Use of Methyl Salicylates As a Trialing Chemical Agent Simulant

    Science.gov (United States)

    1990-05-01

    available in industrial and analytical grades. It is manufactured by various chemical companies such as Monsanto Company located in St. Louis, Missouri...and Bayer U.S.A., Inc./Mobay Corporation located in Pittsburgh, Pennsylvania. 3.8 Transportation/Storage/Disposal Information. See Appendix B. 3.9

  2. Quantitative Infrared Spectra of Vapor Phase Chemical Agents

    Energy Technology Data Exchange (ETDEWEB)

    Sharpe, Steven W.; Johnson, Timothy J.; Chu, P M.; Kleimeyer, J; Rowland, Brad; Gardner, Patrick J.

    2003-04-21

    Quantitative high resolution (0.1 cm -1) infrared spectra have been acquired for a number of pressure broadened (101.3 KPa N2), vapor phase chemicals including: Sarin (GB), Soman (GD), Tabun (GA), Cyclosarin (GF), VX, nitrogen mustard (HN3), sulfur mustard (HD) and Lewisite (L).

  3. Evaluation of Chemical Warfare Agent Percutaneous Vapor Toxicity: Derivation of Toxicity Guidelines for Assessing Chemical Protective Ensembles.

    Energy Technology Data Exchange (ETDEWEB)

    Watson, A.P.

    2003-07-24

    Percutaneous vapor toxicity guidelines are provided for assessment and selection of chemical protective ensembles (CPEs) to be used by civilian and military first responders operating in a chemical warfare agent vapor environment. The agents evaluated include the G-series and VX nerve agents, the vesicant sulfur mustard (agent HD) and, to a lesser extent, the vesicant Lewisite (agent L). The focus of this evaluation is percutaneous vapor permeation of CPEs and the resulting skin absorption, as inhalation and ocular exposures are assumed to be largely eliminated through use of SCBA and full-face protective masks. Selection of appropriately protective CPE designs and materials incorporates a variety of test parameters to ensure operability, practicality, and adequacy. One aspect of adequacy assessment should be based on systems tests, which focus on effective protection of the most vulnerable body regions (e.g., the groin area), as identified in this analysis. The toxicity range of agent-specific cumulative exposures (Cts) derived in this analysis can be used as decision guidelines for CPE acceptance, in conjunction with weighting consideration towards more susceptible body regions. This toxicity range is bounded by the percutaneous vapor estimated minimal effect (EME{sub pv}) Ct (as the lower end) and the 1% population threshold effect (ECt{sub 01}) estimate. Assumptions of exposure duration used in CPE certification should consider that each agent-specific percutaneous vapor cumulative exposure Ct for a given endpoint is a constant for exposure durations between 30 min and 2 hours.

  4. Quantum chemical analysis of potential anti-Parkinson agents

    Indian Academy of Sciences (India)

    Nima Razzaghi-Asl; Sara Shahabipour; Ahmad Ebadi; Azam Bagheri

    2015-07-01

    Monoamine oxidases (MAOs) are amine oxidoreductase falvoenzymes that belong to the integral proteins of the outer mitochondrial membrane. MAO exists in two distinct isoforms; MAO-A and MAO-B. Inhibition of MAO-A and MAO-B is important for developing antidepressant and antiparkinson agents, respectively. In the light of the above explanations, detailed structure binding relationship studies on the intermolecular binding components of MAO-B complexes may unravel the way toward developing novel anti-Parkinson agents. In the present contribution, intermolecular binding pattern for a series of experimentally validated 3-arylcoumarin MAO-B inhibitors (1–9) have been elucidated via molecular docking and density functional theory (DFT) calculations. Intermolecular binding energy components could not be analyzed by docking and due to this limitation, quantum mechanical (QM) calculations including functional B3LYP in association with split valence basis set (Def2-SVP) were applied to estimate the ligand-residue binding energies in the MAO-B active site. Moreover; results were interpreted in terms of calculated polarization effects that were induced by individual amino acids of the MAO-B active site. The results of the present study provide an approach to pharmacophore-based modification within the 3-arylcoumarin scaffold for potent MAO-B inhibitors.

  5. Chemical structure and pharmacokinetics of novel quinolone agents represented by avarofloxacin, delafloxacin, finafloxacin, zabofloxacin and nemonoxacin.

    Science.gov (United States)

    Kocsis, Bela; Domokos, J; Szabo, D

    2016-05-23

    Quinolones are potent antimicrobial agents with a basic chemical structure of bicyclic ring. Fluorine atom at position C-6 and various substitutions on the basic quinolone structure yielded fluoroquinolones, namely norfloxacin, ciprofloxacin, levofloxacin, moxifloxacin and numerous other agents. The target molecules of quinolones and fluoroquinolones are bacterial gyrase and topoisomerase IV enzymes. Broad-spectrum and excellent tissue penetration make fluoroquinolones potent agents but their toxic side effects and increasing number of resistant pathogens set limits on their use. This review focuses on recent advances concerning quinolones and fluoroquinolones, we will be summarising chemical structure, mode of action, pharmacokinetic properties and toxicity. We will be describing fluoroquinolones introduced in clinical trials, namely avarofloxacin, delafloxacin, finafloxacin, zabofloxacin and non-fluorinated nemonoxacin. These agents have been proved to have enhanced antibacterial effect even against ciprofloxacin resistant pathogens, and found to be well tolerated in both oral and parenteral administrations. These features are going to make them potential antimicrobial agents in the future.

  6. Chemical distribution of H II regions towards the Galactic anticentre

    Science.gov (United States)

    Fernández-Martín, A.; Pérez-Montero, E.; Vílchez, J. M.; Mampaso, A.

    2017-01-01

    Context. The study of the radial variations of metallicity across the Galactic disc is a powerful method for understanding the history of star formation and chemical evolution of the Milky Way. Although several studies about gradients have been performed so far, the knowledge of the Galactic antincentre is still poor. Aims: This work aims to determine accurately the physical and chemical properties of a sample of H ii regions located at RG > 11 kpc and to study the radial distribution of abundances in the outermost part of the Galaxy disc. Methods: We carried out new optical spectroscopic observations of nine H ii regions with the William Herschel Telescope covering the spectral range from 3500 Å to 10 100 Å. In addition, we increased the sample by searching the literature for optical observations of regions towards the Galactic anticentre, re-analysing them to obtain a single sample of 23 objects to be processed in a homogeneous and consistent manner. The total sample distribution covers the Galactocentric radius from 11 kpc to 18 kpc. Results: Emission line ratios were used to determine accurate electron densities and temperatures of several ionic species in 13 H ii regions. These physical parameters were applied to the spectra to determine direct total chemical abundances. For those regions without direct estimations of temperature, chemical abundances were derived by performing tailor-made photoionisation models and/or by using an empirical relation obtained from radio recombination and optical temperatures. We performed weighted least-squares fits to the distribution of the derived abundances along the Galactocentric distances to study the radial gradients of metallicity across the outermost part of the MW. The distributions O/H, N/H, S/H, and Ar/H towards the anticentre can be represented by decreasing linear radial gradients, while in the case of N/O abundances the radial distribution is better fitted with a two-zone model. The He/H radial gradient is

  7. Synthesis, Physico-Chemical and Antimicrobial Properties of Co(II, Ni(II, and Cu(II Mixed-Ligand Complexes of Dimethylglyoxime

    Directory of Open Access Journals (Sweden)

    A.A. Osunlaja

    2011-11-01

    Full Text Available The synthesis of non-electrolyte mixed-ligand complexes of the general formula [M(HdmgB], where M = Co(II, Ni(II or Cu(II Hdmg = dimethylglyoximato monoanion, B = 2- aminophenol(2-aph, diethylamine (dea or malonic acid (MOH are described. Metal analysis, melting points, solubility, conductivity, IR and UV/Visible electronic spectra were used in determining their physico-chemical properties. The antimicrobial activities of the complexes were tested against Esherichia coli, Staphylococcus aureus, Aspergillus niger and Aspergillus flavus. The complexes melted/decomposed at 120-306ºC and, most of them dissolved only in polar solvents. The colours of the complexes are mostly dark - brown or red. The spectral results suggest the binding of Hdmg, 2-amino phenol or malonic acid through the N atom and O atoms respectively to the metal ion In the electronic spectra of the complexes, the absorption bands observed in the UV/Visible region are presumed to be either due to charge transfer or intra-ligand transitions from the ligands or d-d transitions from the metal ions. The complexes showed marked antimicrobial activity against the tested microbes at 10 mg/mL. The possible use of the complexes as chemotherapeutic agents is hereby suggested.

  8. Can Chemical Mouthwash Agents Achieve Plaque/Gingivitis Control?

    Science.gov (United States)

    Van der Weijden, Fridus A; Van der Sluijs, Eveline; Ciancio, Sebastian G; Slot, Dagmar E

    2015-10-01

    Also note that structured abstracts are not allowed per journal style: What is the effect of a mouthwash containing various active chemical ingredients on plaque control and managing gingivitis in adults based on evidence gathered from existing systematic reviews? The summarized evidence suggests that mouthwashes containing chlorhexidine(CHX) and essential oils (EO) had a large effect supported by a strong body of evidence. Also there was strong evidence for a moderate effect of cetylpyridinium chloride(CPC). Evidence suggests that a CHX mouthwash is the first choice, the most reliable alternative is EO. No difference between CHX and EO with respect to gingivitis was observed.

  9. Contaminación por agentes químicos Contamination by chemical agents

    OpenAIRE

    Santiago, I

    2003-01-01

    La contaminación por productos químicos es una situación clínica cuyo manejo precisa de una serie de conocimientos muy concretos por parte de los médicos de emergencias, al tener que conocer los tipos de agentes químicos más frecuentes y su mecanismo de acción. Este tipo de contaminación exige la existencia de unos planes concretos de actuación en el ámbito hospitalario y en coordinación con los mecanismos extrahospitalarios de emergencias. Al riesgo que supone el estar diariamente rodeados d...

  10. [Measurement of chemical agents in metallurgy field: electric steel plant].

    Science.gov (United States)

    Cottica, D; Grignani, E; Ghitti, R; Festa, D; Apostoli, P

    2012-01-01

    The steel industry maintains its important position in the context of the Italian production involving thousands of workers. The iron and steel processes are divided into primary steel industry, production of intermediate minerals, and secondary steel, scrap from the production of semi-finished industrial and consumer sector (metal inserted into components and metal used for dissipative uses, primarily coatings) and industrial waste. The paper presents the results of environmental monitoring carried out in some electric steel plant for the measurement of airborne chemicals that characterize the occupational exposure of workers employed in particular area like electric oven, to treatment outside the furnace, continuous casting area. For the sampling of the pollutants were used both personal and in fixed positions samplers. The pollutants measured are those typical of steel processes inhalable dust, metals, respirable dust, crystalline silica, but also Polycyclic Aromatic Hydrocarbons (PAH), polychlorinated dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs).

  11. Quantitative Infrared Spectra of Vapor Phase Chemical Agents

    Energy Technology Data Exchange (ETDEWEB)

    Sharpe, Steven W.; Johnson, Timothy J.; Chu, P. M.; Kleimeyer, J.; Rowland, Brad

    2003-08-01

    Quantitative, moderately high resolution (0.1 cm-1) infrared spectra have been acquired for a number of nitrogen broadened (1 atm N2) vapor phase chemicals including: Sarin (GB), Soman (GD), Tabun (GA), Cyclosarin (GF), VX, Nitrogen Mustard (HN3), Sulfur Mustard (HD), and Lewisite (L). The spectra are acquired using a heated, flow-through White Cell1 of 5.6 meter optical path length. Each reported spectrum represents a statistical fit to Beer’s law, which allows for a rigorous calculation of uncertainty in the absorption coefficients. As part of an ongoing collaboration with the National Institute of Standards and Technology (NIST), cross-laboratory validation is a critical aspect of this work. In order to identify possible errors in the Dugway flow-through system, quantitative spectra of isopropyl alcohol from both NIST and Pacific Northwest National Laboratory (PNNL) are compared to similar data taken at Dugway proving Grounds (DPG).

  12. Physico-chemical study of barium (II) dipivaloylmethanate nature

    Energy Technology Data Exchange (ETDEWEB)

    Fedotova, N.E. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry; Igumenov, I.K. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry; Mamatyuk, V.I. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry; Sidorenko, G.V. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry

    1995-06-01

    A physico-chemical research of bis-(dipivaloylmethanato)barium(II) (Ba(thd){sub 2}) has been carried out from the point of its use in CVD processes as a precursor (thermal stability, immunity to external effects and etc.). The optimal conditions for synthesis, purification and storage have been found. It has been shown, that the sublimated product presents a mixture of several modifications with the main phase of a composition Ba{sub 4}(thd){sub 8}. At a lowered pressure the sublimated product is preserved without decomposition for a long time. In the air it is a monomer of a composition Ba(thd){sub 2}*2H{sub 2}O, decomposing in the course of time with forming a free ligand or a diketone (C{sub 8}H{sub 21}O{sub 2}) depending on the way of purification of the initial compound. (orig.).

  13. Evaluation of antiseptic antiviral activity of chemical agents.

    Science.gov (United States)

    Geller, Chloé; Finance, Chantal; Duval, Raphaël Emmanuel

    2011-06-01

    Antiviral antisepsis and disinfection are crucial for preventing the environmental spread of viral infections. Emerging viruses and associated diseases, as well as nosocomial viral infections, have become a real issue in medical fields, and there are very few efficient and specific treatments available to fight most of these infections. Another issue is the potential environmental resistance and spread of viral particles. Therefore, it is essential to properly evaluate the efficacy of antiseptics-disinfectants (ATS-D) on viruses. ATS-D antiviral activity is evaluated by (1) combining viruses and test product for an appropriately defined and precise contact time, (2) neutralizing product activity, and (3) estimating the loss of viral infectivity. A germicide can be considered to have an efficient ATS-D antiviral activity if it induces a >3 or >4 log(10) reduction (American and European regulatory agency requirements, respectively) in viral titers in a defined contact time. This unit describes a global methodology for evaluating chemical ATS-D antiviral activity.

  14. NOVEL MULTI-LEVEL OPTIMIZATION METHOD FOR CHEMICAL COMPLEX USING INTELLIGENT AGENT

    Institute of Scientific and Technical Information of China (English)

    Xiaojun LI; Huanjun YU; Shangxu HU

    2003-01-01

    Multi-level optimization of complex chemical complex was comprehensively analyzed, including the optimization of management plan, production scheme, operating conditions, etc. The software framework of multi-level optimization of chemical complex was worked out. Basing upon the frame of multi-level optimization, the intelligent agent technique was adopted to search for global optimum. The organization, function, design and the implementation of a series of intelligent agents were discussed. According to the strategy that to spend most computing time in optimization solving and much less time in exchanging information regarding the tasks and results of optimization through network, the communication mechanism and cooperation rules for Multi-Agent System for hierarchically optimizing chemical complex was proposed.

  15. Solving practical problems in environmental sampling for chemical agents and their degradation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Williams, K.E.; Sheely, M.V. [Army Center for Health Promotion and Preventive Medicine, Aberdeen Proving Ground, MD (United States)

    1995-06-01

    The analyses of environmental samples for chemical agent degradation products were conducted using analytical test methods designed for evaluation of solid waste samples. All methods are found in the 3rd Edition of EPA`s compendium of analytical methods (SW-846) dated July 1992. These EPA methods are recommended for compliance testing required by the Resource Conservation and Recovery Act (RCRA) and are routinely used for the analysis of environmental samples. In the past several years, these same methods were used to support the survey of areas suspected of having chemical agent or chemical agent degradation compound contamination. An overview is presented of the U.S. Army Center for Health Promotion and Preventive Medicine`s (previously the U.S. Army Environmental Hygiene Agency) involvement with the analysis of samples for chemical agents and their degradation compounds collected from sites such as Tooele Army Depot, Rocky Mt. Arsenal, Newport Army Depot, Johnston Island, and Spring Valley, (a residential site near American University in Washington D.C.) Discussed are practical problems encountered during a quick response of a non-surety laboratory to analyze environmental samples for agents and their degradation compounds.

  16. Hydroxy double salts intercalated with Mn(II) complexes as potential contrast agents

    Science.gov (United States)

    Jin, Miao; Li, Wanjing; Spillane, Dominic E. M.; Geraldes, Carlos F. G. C.; Williams, Gareth R.; Bligh, S. W. Annie

    2016-03-01

    A series of Mn(II) aminophosphonate complexes were successfully synthesized and intercalated into the hydroxy double salt [Zn5(OH)8]Cl2·yH2O. Complex incorporation led to an increase in the interlayer spacing from 7.8 to 10-12 Å. Infrared spectroscopy showed the presence of the characteristic vibration peaks of the Mn(II) complexes in the intercalates' spectra, indicating successful incorporation. The complex-loaded composites had somewhat lower proton relaxivities than the pure complexes. Nevertheless, these intercalates may have use as MRI contrast agents for patients with poor kidney function, where traditional Gd(III)-based contrast agents cause severe renal failure.

  17. Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

    Science.gov (United States)

    Navaz, H. K.; Dang, A. L.; Atkinson, T.; Zand, A.; Nowakowski, A.; Kamensky, K.

    2014-05-01

    A general-purpose multi-phase and multi-component computer model capable of solving the complex problems encountered in the agent substrate interaction is developed. The model solves the transient and time-accurate mass and momentum governing equations in a three dimensional space. The provisions for considering all the inter-phase activities (solidification, evaporation, condensation, etc.) are included in the model. The chemical reactions among all phases are allowed and the products of the existing chemical reactions in all three phases are possible. The impact of chemical reaction products on the transport properties in porous media such as porosity, capillary pressure, and permeability is considered. Numerous validations for simulants, agents, and pesticides with laboratory and open air data are presented. Results for chemical reactions in the presence of pre-existing water in porous materials such as moisture, or separated agent and water droplets on porous substrates are presented. The model will greatly enhance the capabilities in predicting the level of threat after any chemical such as Toxic Industrial Chemicals (TICs) and Toxic Industrial Materials (TIMs) release on environmental substrates. The model's generality makes it suitable for both defense and pharmaceutical applications.

  18. Compilation of existing chemical agent guidelines table as of September 1997

    Energy Technology Data Exchange (ETDEWEB)

    Foust, C.B.

    1998-08-01

    Public Law 99-145 requires the US Department of the Army to dispose of the lethal chemical agents and munitions stockpile stored at eight Army installations throughout the continental US and Johnston Atoll in the Pacific. Recognition by the US Army that a potential threat to the public from continued storage was greater than the threat from transportation and demilitarization of chemical agents gave rise to the Chemical Stockpile Emergency Preparedness Program (CSEPP). CSEPP is a community emergency preparedness program complementing the Department of Defense`s initiative to destroy domestic stockpiles of aged chemical warfare agent munitions. The Federal Emergency Management Agency (FEMA) and the US Army jointly coordinate and direct the CSEPP. The Compilation of Existing Chemical Agent Guidelines Table was developed under the direction of FEMA and the US Army Center for Health Promotion and Preventive Medicine (USACHPPM). The purpose of this Table is to identify established chemical warfare agent guidelines, standards, and interim standards as of September 1997, and place them in an explanatory context for ready use by the CSEPP community. This Table summarizes and organizes information from numerous agencies and review bodies responsible for recommending exposure guidelines [e.g., The Centers for Disease Control and Prevention (CDC), Committee on Toxicology (COT), Environmental Protection Agency (EPA), FEMA, Army and other federal agencies]. This Table provides references for the interested reader, but does not provide data and assumptions on which exposure guidelines were based, or comment on the rationale or appropriateness of the given values. To do so is beyond the scope of work for this task.

  19. Magnesium ionophore II as an extraction agent for trivalent europium and americium

    Energy Technology Data Exchange (ETDEWEB)

    Makrlik, Emanuel [Czech Univ. of Life Sciences, Prague (Czech Republic). Faculty of Environmental Sciences; Vanura, Petr [Univ. of Chemistry and Technology, Prague (Czech Republic). Dept. of Analytical Chemistry

    2016-11-01

    Solvent extraction of microamounts of trivalent europium and americium into nitrobenzene by using a mixture of hydrogen dicarbollylcobaltate (H{sup +}B{sup -}) and magnesium ionophore II (L) was studied. The equilibrium data were explained assuming that the species HL{sup +}, HL{sup +}{sub 2}, ML{sup 3+}{sub 2}, and ML{sup 3+}{sub 3} (M{sup 3+} = Eu{sup 3+}, Am{sup 3+}; L=magnesium, ionophore II) are extracted into the nitrobenzene phase. Extraction and stability constants of the cationic complex species in nitrobenzene saturated with water were determined and discussed. From the experimental results it is evident that this effective magnesium ionophore II receptor for the Eu{sup 3+} and Am{sup 3+} cations could be considered as a potential extraction agent for nuclear waste treatment.

  20. Disruption of a binary organogel by the chemical warfare agent soman (GD) and common organophosphorus simulants

    OpenAIRE

    Hiscock, Jennifer R.; Sambrook, Mark R; Ede, Jayne A.; Wells, Neil J.; Philip A. Gale

    2014-01-01

    The chemical warfare agent (CWA) soman (GD) acts as a molecular stimulus for the disruption of an anthracene-based binary organogel prepared in cyclohexane. The CWA simulants dimethyl methylphosphonate (DMMP) and diethyl chlorophosphate (DCP) were also found to disrupt the binary organogel through changes in solvent polarity and reactions with the gelator.\\ud \\ud

  1. On modeling of the evaporation of chemical warfare agents on the ground

    NARCIS (Netherlands)

    Westin, S.N.; Winter, S.; Karlsson, E.; Hin, A.; Oeseburg, F.

    1998-01-01

    A model for evaporation of chemical warfare agents on the ground has been developed. The process of evaporation is described in three steps: (1) the immediate drop enlargement due to impact momentum is modeled using an empirical correlation from technical literature; (2) further enlargement caused b

  2. High-Frequency (1)H NMR Chemical Shifts of Sn(II) and Pb(II) Hydrides Induced by Relativistic Effects: Quest for Pb(II) Hydrides.

    Science.gov (United States)

    Vícha, Jan; Marek, Radek; Straka, Michal

    2016-10-17

    The role of relativistic effects on (1)H NMR chemical shifts of Sn(II) and Pb(II) hydrides is investigated by using fully relativistic DFT calculations. The stability of possible Pb(II) hydride isomers is studied together with their (1)H NMR chemical shifts, which are predicted in the high-frequency region, up to 90 ppm. These (1)H signals are dictated by sizable relativistic contributions due to spin-orbit coupling at the heavy atom and can be as large as 80 ppm for a hydrogen atom bound to Pb(II). Such high-frequency (1)H NMR chemical shifts of Pb(II) hydride resonances cannot be detected in the (1)H NMR spectra with standard experimental setup. Extended (1)H NMR spectral ranges are thus suggested for studies of Pb(II) compounds. Modulation of spin-orbit relativistic contribution to (1)H NMR chemical shift is found to be important also in the experimentally known Sn(II) hydrides. Because the (1)H NMR chemical shifts were found to be rather sensitive to the changes in the coordination sphere of the central metal in both Sn(II) and Pb(II) hydrides, their application for structural investigation is suggested.

  3. Viability of fibroblasts in cell culture after treatment with different chemical retraction agents.

    Science.gov (United States)

    Kopac, I; Batista, U; Cvetko, E; Marion, L

    2002-01-01

    Prior to fixed prosthodontic impression procedures, temporary horizontal retraction of the free gingival tissue should be accomplished apically to the preparation finishing line. The mechanical-chemical method using cotton retraction cords of various sizes impregnated with various retraction chemicals is the most commonly employed retraction technique. Most retraction agents have pH values from 0.8 to 0.3, and are therefore hazardous to the cut dentine and periodontal tissues. Sympathomimetic vasoconstrictors introduced recently have a pH of 5.6, and are free of systemic side-effects. The present study using the dye exclusion test, colony forming ability test and colorimetric assay was undertaken to evaluate cytotoxic effects of four chemical retraction agents on cultured V-79 fibroblasts, and the dependence of cytotoxicity on the agent concentration and time of exposure. Original concentrations of retraction agents produced stronger cytotoxic effects than dilutions of 1:1 and 1:10. The most aggressive agent, 25% aluminium chloride, took only 1 min to damage all cell cultures. The proportion of cells damaged after 10 min of exposure to tetrahydrozoline was 60%, which was significantly less compared with other chemicals tested. With the colony forming ability test using retraction agents diluted to 1:10 the greatest number of colonies emerged in samples treated with tetrahydrozoline (statistical significance: P < 0.01). The colorimetric assay showed equal cytotoxic effects for 25% aluminium sulphate and tetrahydrozoline. The colorimetric test used in the study has proved an ergonomic, accurate and reliable test for cytotoxicity determination.

  4. Chemical Agents

    Science.gov (United States)

    ... Specific Hazards Bioterrorism A-Z Anthrax (Bacillus anthracis) Arenaviruses Treatment & Infection Control Specimen Submission & Lab Testing Education & ... hemorrhagic fevers (filoviruses [e.g., Ebola, Marburg] and arenaviruses [e.g., Lassa, Machupo]) Yersinia pestis (plague) Fact ...

  5. Disposal of chemical agents and munitions stored at Pine Bluff Arsenal, Pine Bluff, Arkansas

    Energy Technology Data Exchange (ETDEWEB)

    Ensminger, J.T.; Hillsman, E.L.; Johnson, R.D.; Morrisey, J.A.; Staub, W.P.; Boston, C.R.; Hunsaker, D.B.; Leibsch, E.; Rickert, L.W.; Tolbert, V.R.; Zimmerman, G.P.

    1991-09-01

    The Pine Bluff Arsenal (PBA) near Pine Bluff, Arkansas, is one of eight continental United States (CONUS) Army installations where lethal unitary chemical agents and munitions are stored and where destruction of agents and munitions is proposed under the Chemical Stockpile Disposal Program (CSDP). The chemical agent inventory at PBA consists of approximately 12%, by weight, of the total US stockpile. The destruction of the stockpile is necessary to eliminate the risk to the public from continued storage and to dispose of obsolete and leaking munitions. In 1988 the US Army issued a Final Programmatic Environmental Impact Statement (FPEIS) for the CSDP that identified on-site disposal of agents and munitions as the environmentally preferred alternative (i.e., the alternative with the least potential to cause significant adverse impacts). The purpose of this report is to examine the proposed implementation of on-site disposal at PBA in light of more recent and more detailed data than those on which the FPEIS is based. New population data were used to compute fatalities using the same computation methods and values for all other parameters as in the FPEIS. Results indicate that all alternatives are indistinguishable when the potential health impacts to the PBA community are considered. However, risks from on-site disposal are in all cases equal to or less than risks from other alternatives. Furthermore, no unique resources with the potential to prevent or delay implementation of on-site disposal at PBA have been identified.

  6. Reevaluation of 1999 Health-Based Environmental Screening Levels (HBESLs) for Chemical Warfare Agents

    Energy Technology Data Exchange (ETDEWEB)

    Watson, Annetta Paule [ORNL; Dolislager, Fredrick G [ORNL

    2007-05-01

    This report evaluates whether new information and updated scientific models require that changes be made to previously published health-based environmental soil screening levels (HBESLs) and associated environmental fate/breakdown information for chemical warfare agents (USACHPPM 1999). Specifically, the present evaluation describes and compares changes that have been made since 1999 to U.S. Environmental Protection Agency (EPA) risk assessment models, EPA exposure assumptions, as well as to specific chemical warfare agent parameters (e.g., toxicity values). Comparison was made between screening value estimates recalculated with current assumptions and earlier health-based environmental screening levels presented in 1999. The chemical warfare agents evaluated include the G-series and VX nerve agents and the vesicants sulfur mustard (agent HD) and Lewisite (agent L). In addition, key degradation products of these agents were also evaluated. Study findings indicate that the combined effect of updates and/or changes to EPA risk models, EPA default exposure parameters, and certain chemical warfare agent toxicity criteria does not result in significant alteration to the USACHPPM (1999) health-based environmental screening level estimates for the G-series and VX nerve agents or the vesicant agents HD and L. Given that EPA's final position on separate Tier 1 screening levels for indoor and outdoor worker screening assessments has not yet been released as of May 2007, the study authors find that the 1999 screening level estimates (see Table ES.1) are still appropriate and protective for screening residential as well as nonresidential sites. As such, risk management decisions made on the basis of USACHPPM (1999) recommendations do not require reconsideration. While the 1999 HBESL values are appropriate for continued use as general screening criteria, the updated '2007' estimates (presented below) that follow the new EPA protocols currently under development

  7. Biotechnology in China II. Chemicals, energy and environment

    Energy Technology Data Exchange (ETDEWEB)

    Tsao, G.T. [Purdue Univ., West Lafayette, IN (United States). Lab. Renewable Resources Engineering; Ouyang, Pingkai [Nanjing Univ. of Technology (China). College of Life Science and Pharmaceutical Engineering; Chen, Jian (eds.) [Jiangnan Univ., Wuxi (China). School of Biotechnology

    2010-07-01

    The biochemical engineering and biotechnology is now becoming the most important industry all over the world. China, as a country that has more than 1.3 billion people, has become one of the fastest growing countries in the world during the last several decades. Both the Chinese government and companies pay more and more attention on the research and the application of biotechnology. In the 11th five-year plan (2006-2010), Chinese government unprecedented enhanced the support on the biotechnology in both policy and finance. Currently, the biotechnology gains the most R and D funding in China. With the great support and the increasingly frequent exchanges from abroad, the biotechnology in China becomes more and more important in the world. In recognition of the enormous advances in biotechnology in China, we are pleased to present the second volume of Advances in Biochemical Engineering/ Biotechnology: Biotechnology in China II, edited by P. K. Ouyang, J. Chen and G. T. Tsao, relatively soon after the introduction of the first volume of this multivolume comprehensive books. Since the previous volume was extremely well accepted by the scientific community, we have maintained the overall goal of creating a number of chapters, each devoted to a certain topic by several Chinese research groups working in the field, which provide scientists in academia and public institutions with a well-balanced and comprehensive overview of this growing field in China. We have fully revised the volume and expanded it from bioreaction, bioseparation and bioremediation to more extensive issues in order to cover all recent developments in China into account as much as possible. The new volume of Advances in Biochemical Engineering/Biotechnology: Biotechnology in China II is a comprehensive description of the state-of-the-art in China, and a guide to the understanding the work of Chinese biochemical engineering and biotechnology researchers. It is specifically directed to microbiologists

  8. Chemical Reaction Between Polyvinyl Alcohol and Titanate Coupling Agent with X-Ray Photoelectron Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LI Bei-xing; ZHANG Wen-sheng

    2003-01-01

    The chemical reaction between polyvinyl alcohol (PVA) and tri(dioctylpyrophosphoryloxy) isopropyl titanate (NDZ-201) was studied using X-ray photoelectron spectroscopy (XPS).The results show that some C-OH functional groups of PVA react with the titanate coupling agent to form CPVA-O-Ti-O-CPVA bond.The cross-linking of the PVA chains occurs through the formation of CPVA-O-Ti-O-CPVA bonds and produces a three dimensional hydrophobic polymer network.Accordingly,the mechanism is proposed that the titanate coupling agent improves the moisture sensitivity of high alumina cement/polyvinyl alcohol (HAC/PVA) based macro defect free (MDF) composite material.

  9. Treatability study report for remediation of chemical warfare agent contaminated soils using peroxysulfate ex-situ treatment. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Pugh, J.R.; Grinstead, J.H.; Farley, J.A.; Enlow, P.D.; Kelly, D.A.

    1996-07-01

    This laboratory scale study examines the feasibility of using peroxysulfate based oxidants to remediate soils contaminated with GB, Hi, and VX. The project was conducted with chemical warfare agent simulants. The study concludes that peroxysulfates, and particularly peroxydisulfate, can degrade chemical warfare agent simulants in soil and recommends continuing research.

  10. The comparison of removing plug by ultrasonic wave, chemical deplugging agent and ultrasound-chemical combination deplugging for near-well ultrasonic processing technology.

    Science.gov (United States)

    Wang, Zhenjun; Xu, Yuanming; Bajracharya, Suman

    2015-11-01

    Near-well ultrasonic processing technology is characterized by high adaptability, simple operation, low cost and zero pollution. The main plugs of oil production include paraffin deposition plug, polymer plug, and drilling fluid plug etc. Although some good results have been obtained through laboratory experiments and field tests, systematic and intensive studies are absent for certain major aspects, such as: effects of ultrasonic treatment for different kinds of plugs and whether effect of ultrasound-chemicals combination deplugging is better than that of ultrasonic deplugging. In this paper, the experiments of removing drilling fluid plug, paraffin deposition plug and polymer plug by ultrasonic wave, chemical deplugging agent and ultrasound-chemical combination deplugging respectively are carried out. Results show that the effect of ultrasound-chemical combination deplugging is clearly better than that of using ultrasonic wave and chemical deplugging agent separately, which indicates that ultrasonic deplugging and chemical deplugging can produce synergetic effects. On the one hand, ultrasonic treatment can boost the activity of chemical deplugging agent and turn chemical deplugging into dynamic chemical process, promoting chemical agent reaction speed and enhancing deplugging effect; on the other hand, chemical agent can reduce the adhesion strength of plugs so that ultrasonic deplugging effect can be improved significantly. Experimental results provide important reference for near-well ultrasonic processing technology.

  11. Impurity Profiling to Match a Nerve Agent to Its Precursor Source for Chemical Forensics Applications

    Energy Technology Data Exchange (ETDEWEB)

    Fraga, Carlos G.; Perez Acosta, Gabriel A.; Crenshaw, Michael D.; Wallace, Krys; Mong, Gary M.; Colburn, Heather A.

    2011-10-31

    Chemical forensics is an emerging field in homeland security that aims to attribute a weaponized toxic chemical or related material to its source. Herein, for the first time, trace impurities originating from a chemical precursor were used to match a synthesized nerve agent to its precursor source. Specifically, multiple batches of sarin and its intermediate were synthesized from two commercial stocks of methylphosphonic dichloride (DC) and were then matched by impurity profiling to their DC stocks from out of five possible stocks. This was possible because each DC stock had a unique impurity profile that, for the tested stocks, persisted through synthesis, decontamination, and sample preparation. This work may form a basis for using impurity profiling to help find and prosecute perpetrators of chemical attacks.

  12. NONDESTRUCTIVE IDENTIFICATION OF CHEMICAL WARFARE AGENTS AND EXPLOSIVES BY NEUTRON GENERATOR-DRIVEN PGNAA

    Energy Technology Data Exchange (ETDEWEB)

    T. R. Twomey; A. J. Caffrey; D. L. Chichester

    2007-02-01

    Prompt gamma-ray neutron activation analysis (PGNAA) is now a proven method for the identification of chemical warfare agents and explosives in military projectiles and storage containers. Idaho National Laboratory is developing a next-generation PGNAA instrument based on the new Ortec Detective mechanically-cooled HPGe detector and a neutron generator. In this paper we review PGNAA analysis of suspect chemical warfare munitions, and we discuss the advantages and disadvantages of replacing the californium-252 radioisotopic neutron source with a compact accelerator neutron generator.

  13. Chemical modification of cobalt ferrite nanoparticles with possible application as asphaltene flocculant agent

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, G.E.; Clarindo, J.E.S.; Santo, K.S.E., E-mail: geiza.oliveira@ufes.br [Universidade Federal do Espirito Santo (CCE/DQUI/UFES), Vitoria, ES (Brazil). Centro de Ciencias Exatas. Dept. de Quimica; Souza Junior, F.G. [Universidade Federal do Rio de Janeiro (IMA/UFRJ), Rio de Janeiro, RJ (Brazil). Instituto de Macromoleculas

    2013-11-01

    Asphaltenes can cause enormous losses in the oil industry, because they are soluble only in aromatic solvents. Therefore, they must be removed from the petroleum before it is refined, using flocculant agents. Aiming to find new materials that can work as flocculant agents to asphaltenes, cobalt ferrite nanoparticles were chemically modified through acid-base reactions using dodecylbenzene sulfonic acid (DBSA) to increase their lipophilicity. Nanoparticle synthesis was performed using the co-precipitation method followed by annealing of these nanoparticles, aiming to change the structural phase. Modified and unmodified nanoparticles were tested by FTIR-ATR, XRD and TGA/DTA. In addition, precipitation onset of the asphaltenes was performed using modified and unmodified nanoparticles. These tests showed that modified nanoparticles have a potential application as flocculant agents used to remove asphaltenes before oil refining, since the presence of nanoparticles promotes the asphaltene precipitation onset with the addition of a small amount of non-solvent (author)

  14. Chemical modification of cobalt ferrite nanoparticles with possible application as asphaltene flocculant agent

    Directory of Open Access Journals (Sweden)

    G. E. Oliveira

    2013-06-01

    Full Text Available Asphaltenes can cause enormous losses in the oil industry, because they are soluble only in aromatic solvents. Therefore, they must be removed from the petroleum before it is refined, using flocculant agents. Aiming to find new materials that can work as flocculant agents to asphaltenes, cobalt ferrite nanoparticles were chemically modified through acid-base reactions using dodecylbenzene sulfonic acid (DBSA to increase their lipophilicity. Nanoparticle synthesis was performed using the co-precipitation method followed by annealing of these nanoparticles, aiming to change the structural phase. Modified and unmodified nanoparticles were tested by FTIR-ATR, XRD and TGA/DTA. In addition, precipitation onset of the asphaltenes was performed using modified and unmodified nanoparticles. These tests showed that modified nanoparticles have a potential application as flocculant agents used to remove asphaltenes before oil refining, since the presence of nanoparticles promotes the asphaltene precipitation onset with the addition of a small amount of non-solvent.

  15. Toxic Chemicals in the Soil Environment. Volume 2. Interactions of Some Toxic Chemicals/Chemical Warfare Agents and Soils

    Science.gov (United States)

    1985-06-01

    cholinesterase inhibitors . At least one, armin (O-ethyl’,ethyl 0,p-nit rophenyl phosphonate), is among the moot .powerful known choliniesterase inhibitor ...and is equivalent to the nerve 4 agents (Feat and Schmidt, 1973). All have been used as growth Inhibitors or terminators for some organisms...there was inhibition of the urease and oxidase enzymes. 2.2.4 Effects of Ozone and Sunlight on Orgenophoapborua Pesticides Spencer et al. (1980

  16. Next Generation Non-particulate Dry Nonwoven Pad for Chemical Warfare Agent Decontamination

    Energy Technology Data Exchange (ETDEWEB)

    Ramkumar, S S; Love, A; Sata, U R; Koester, C J; Smith, W J; Keating, G A; Hobbs, L; Cox, S B; Lagna, W M; Kendall, R J

    2008-05-01

    New, non-particulate decontamination materials promise to reduce both military and civilian casualties by enabling individuals to decontaminate themselves and their equipment within minutes of exposure to chemical warfare agents or other toxic materials. One of the most promising new materials has been developed using a needlepunching nonwoven process to construct a novel and non-particulate composite fabric of multiple layers, including an inner layer of activated carbon fabric, which is well-suited for the decontamination of both personnel and equipment. This paper describes the development of a composite nonwoven pad and compares efficacy test results for this pad with results from testing other decontamination systems. The efficacy of the dry nonwoven fabric pad was demonstrated specifically for decontamination of the chemical warfare blister agent bis(2-chloroethyl)sulfide (H or sulfur mustard). GC/MS results indicate that the composite fabric was capable of significantly reducing the vapor hazard from mustard liquid absorbed into the nonwoven dry fabric pad. The mustard adsorption efficiency of the nonwoven pad was significantly higher than particulate activated carbon (p=0.041) and was similar to the currently fielded US military M291 kit (p=0.952). The nonwoven pad has several advantages over other materials, especially its non-particulate, yet flexible, construction. This composite fabric was also shown to be chemically compatible with potential toxic and hazardous liquids, which span a range of hydrophilic and hydrophobic chemicals, including a concentrated acid, an organic solvent and a mild oxidant, bleach.

  17. Polypropylene Track Membranes for Mikro and Ultrafiltration of Chemically Aggressive Agents

    CERN Document Server

    Kravets, L I; Apel, P Yu

    2000-01-01

    A production process for track membranes on the basis of chemically resistant polymer polypropylene has been developed. Research in all stages of the formation of the polypropylene track membranes has been conducted: the main principles of the process of chemical etching of polypropylene irradiated with accelerated ions have been investigated, the most effective structure of the etchant for a selective etching of the heavy ion tracks has been selected, the parameters of etching have been optimized. A method for sensibilization of latent tracks in polypropylene by effect of solvents has been developed. It helps to reach a significant increase in etching selectivity. A method for destruction of an absorbed chromocontaining layer on the surface of polypropylene track membranes formed during etching has been elaborated. Experimental samples of the membranes for micro and ultrafiltration have been obtained and their properties have been studied in course of their exploitation in chemically aggressive agents. For t...

  18. Disposal of chemical agents and munitions stored at Umatilla Depot Activity, Hermiston, Oregon

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, G.P.; Hillsman, E.L.; Johnson, R.O.; Miller, R.L.; Patton, T.G.; Schoepfle, G.M.; Tolbert, V.R.; Feldman, D.L.; Hunsaker, D.B. Jr.; Kroodsma, R.L.; Morrissey, J.; Rickert, L.W.; Staub, W.P.; West, D.C.

    1993-02-01

    The Umatilla Depot Activity (UMDA) near Hermiston, Oregon, is one of eight US Army installations in the continental United States where lethal unitary chemical agents and munitions are stored, and where destruction of agents and munitions is proposed under the Chemical Stockpile Disposal Program (CSDP). The chemical agent inventory at UMDA consists of 11.6%, by weight, of the total US stockpile. The destruction of the stockpile is necessary to eliminate the risk to the public from continued storage and to dispose of obsolete and leaking munitions. In 1988 the US Army issued a Final Programmatic Environmental Impact Statement (FPEIS) for the CSDP that identified on-site disposal of agents and munitions as the environmentally preferred alternative (i.e., the alternative with the least potential to cause significant adverse impacts), using a method based on five measures of risk for potential human health and ecosystem/environmental effects; the effectiveness and adequacy of emergency preparedness capabilities also played a key role in the FPEIS selection methodology. In some instances, the FPEIS included generic data and assumptions that were developed to allow a consistent comparison of potential impacts among programmatic alternatives and did not include detailed conditions at each of the eight installations. The purpose of this Phase 1 report is to examine the proposed implementation of on-site disposal at UMDA in light of more recent and more detailed data than those included in the FPEIS. Specifically, this Phase 1 report is intended to either confirm or reject the validity of on-site disposal for the UMDA stockpile. Using the same computation methods as in the FPEIS, new population data were used to compute potential fatalities from hypothetical disposal accidents. Results indicate that onsite disposal is clearly preferable to either continued storage at UMDA or transportation of the UMDA stockpile to another depot for disposal.

  19. Accelerating the degradation of green plant waste with chemical decomposition agents.

    Science.gov (United States)

    Kejun, Sun; Juntao, Zhang; Ying, Chen; Zongwen, Liao; Lin, Ruan; Cong, Liu

    2011-10-01

    Degradation of green plant waste is often difficult, and excess maturity times are typically required. In this study, we used lignin, cellulose and hemicellulose assays; scanning electron microscopy; infrared spectrum analysis and X-ray diffraction analysis to investigate the effects of chemical decomposition agents on the lignocellulose content of green plant waste, its structure and major functional groups and the mechanism of accelerated degradation. Our results showed that adding chemical decomposition agents to Ficus microcarpa var. pusillifolia sawdust reduced the contents of lignin by 0.53%-11.48% and the contents of cellulose by 2.86%-7.71%, and increased the contents of hemicellulose by 2.92%-33.63% after 24 h. With increasing quantities of alkaline residue and sodium lignosulphonate, the lignin content decreased. Scanning electron microscopy showed that, after F. microcarpa var. pusillifolia sawdust was treated with chemical decomposition agents, lignocellulose tube wall thickness increased significantlyIncreases of 29.41%, 3.53% and 34.71% were observed after treatment with NaOH, alkaline residue and sodium lignosulphonate, respectively. Infrared spectroscopy showed that CO and aromatic skeleton stretching absorption peaks were weakened and the C-H vibrational absorption peak from out-of-plane in positions 2 and 6 (S units) (890-900 cm(-1)) was strengthened after F. microcarpa var. pusillifolia sawdust was treated with chemical decomposition agents, indicating a reduction in lignin content. Several absorption peaks [i.e., C-H deformations (asymmetry in methyl groups, -CH(3)- and -CH(2)-) (1450-1460 cm(-1)); Aliphatic C-H stretching in methyl and phenol OH (1370-1380 cm(-1)); CO stretching (cellulose and hemicellulose) (1040-1060 cm(-1))] that indicate the presence of a chemical bond between lignin and cellulose was reduced, indicating that the chemical bond between lignin and cellulose had been partially broken. X-ray diffraction analysis showed that Na

  20. Efficacy of liquid and foam decontamination technologies for chemical warfare agents on indoor surfaces.

    Science.gov (United States)

    Love, Adam H; Bailey, Christopher G; Hanna, M Leslie; Hok, Saphon; Vu, Alex K; Reutter, Dennis J; Raber, Ellen

    2011-11-30

    Bench-scale testing was used to evaluate the efficacy of four decontamination formulations on typical indoor surfaces following exposure to the liquid chemical warfare agents sarin (GB), soman (GD), sulfur mustard (HD), and VX. Residual surface contamination on coupons was periodically measured for up to 24h after applying one of four selected decontamination technologies [0.5% bleach solution with trisodium phosphate, Allen Vanguard Surface Decontamination Foam (SDF™), U.S. military Decon Green™, and Modec Inc. and EnviroFoam Technologies Sandia Decontamination Foam (DF-200)]. All decontamination technologies tested, except for the bleach solution, performed well on nonporous and nonpermeable glass and stainless-steel surfaces. However, chemical agent residual contamination typically remained on porous and permeable surfaces, especially for the more persistent agents, HD and VX. Solvent-based Decon Green™ performed better than aqueous-based bleach or foams on polymeric surfaces, possibly because the solvent is able to penetrate the polymer matrix. Bleach and foams out-performed Decon Green for penetrating the highly polar concrete surface. Results suggest that the different characteristics needed for an ideal and universal decontamination technology may be incompatible in a single formulation and a strategy for decontaminating a complex facility will require a range of technologies.

  1. Limitations and challenges in treatment of acute chemical warfare agent poisoning.

    Science.gov (United States)

    Thiermann, Horst; Worek, Franz; Kehe, Kai

    2013-12-01

    Recent news from Syria on a possible use of chemical warfare agents made the headlines. Furthermore, the motivation of terrorists to cause maximal harm shifts these agents into the public focus. For incidents with mass casualties appropriate medical countermeasures must be available. At present, the most important threats arise from nerve agents and sulfur mustard. At first, self-protection and protection of medical units from contamination is of utmost importance. Volatile nerve agent exposure, e.g. sarin, results in fast development of cholinergic crisis. Immediate clinical diagnosis can be confirmed on-site by assessment of acetylcholinesterase activity. Treatment with autoinjectors that are filled with 2mg atropine and an oxime (at present obidoxime, pralidoxime, TMB-4 or HI-6) are not effective against all nerve agents. A more aggressive atropinisation has to be considered and more effective oximes (if possible with a broad spectrum or a combination of different oximes) as well as alternative strategies to cope with high acetylcholine levels at synaptic sites should be developed. A further gap exists for the treatment of patients with sustained cholinergic crisis that has to be expected after exposure to persistent nerve agents, e.g. VX. The requirement for long-lasting artificial ventilation can be reduced with an oxime therapy that is optimized by using the cholinesterase status for guidance or by measures (e.g. scavengers) that are able to reduce the poison load substantially in the patients. For sulfur mustard poisoning no specific antidote is available until now. Symptomatic measures as used for treatment of burns are recommended together with surgical or laser debridement. Thus, huge amounts of resources are expected to be consumed as wound healing is impaired. Possible depots of sulfur mustard in tissues may aggravate the situation. More basic knowledge is necessary to improve substantially therapeutic options. The use of stem cells may provide a new

  2. Copper (II) diamino acid complexes: Quantum chemical computations regarding diastereomeric effects on the energy of complexation

    NARCIS (Netherlands)

    Zuilhof, H.; Morokuma, K.

    2003-01-01

    Quantum chemical calculations were used to rationalize the observed enantiodifferentiation in the complexation of alpha-amino acids to chiral Cu(II) complexes. Apart from Cu(II)-pi interactions and steric repulsions between the anchoring cholesteryl-Glu moiety and an aromatic amino acid R group, hyd

  3. Bioluminescent bioreporter assays for targeted detection of chemical and biological agents

    Science.gov (United States)

    Ripp, Steven; Jegier, Pat; Johnson, Courtney; Moser, Scott; Islam, Syed; Sayler, Gary

    2008-04-01

    Bioluminescent bioreporters carrying the bacterial lux gene cassette have been well established for the sensing and monitoring of select chemical agents. Their ability to generate target specific visible light signals with no requirement for extraneous additions of substrate or other hands-on manipulations affords a real-time, repetitive assaying technique that is remarkable in its simplicity and accuracy. Although the predominant application of lux-based bioluminescent bioreporters has been towards chemical compound detection, novel genetic engineering schemes are yielding a variety of new bioreporter systems that extend the lux sensing mechanism beyond mere analyte discrimination. For example, the unique specificity of bacteriophage (bacterial viruses) has been exploited in lux bioluminescent assays for specific identification of foodborne bacterial pathogens such as Escherichia coli O157:H7. With the concurrent ability to interface bioluminescent bioreporter assays onto integrated circuit microluminometers (BBICs; bioluminescent bioreporter integrated circuits), the potential exists for the development of sentinel microchips that can function as environmental monitors for multiplexed recognition of chemical and biological agents in air, food, and water. The size and portability of BBIC biosensors may ultimately provide a deployable, interactive network sensing technology adaptable towards chem/bio defense.

  4. Organic Chemical Attribution Signatures for the Sourcing of a Mustard Agent and Its Starting Materials

    Energy Technology Data Exchange (ETDEWEB)

    Fraga, Carlos G.; Bronk, Krys; Dockendorff, Brian P.; Heredia-Langner, Alejandro

    2016-05-17

    Chemical attribution signatures (CAS) are being investigated for the sourcing of chemical warfare (CW) agents and their starting materials that may be implicated in chemical attacks or CW proliferation. The work reported here demonstrates for the first time trace impurities produced during the synthesis of tris(2-chloroethyl)amine (HN3) that point to specific reagent stocks used in the synthesis of this CW agent. Thirty batches of HN3 were synthesized using different combinations of commercial stocks of triethanolamine (TEA), thionyl chloride, chloroform, and acetone. The HN3 batches and reagent stocks were then analyzed for impurities by gas chromatography/mass spectrometry. Reaction-produced impurities indicative of specific TEA and chloroform stocks were exclusively discovered in HN3 batches made with those reagent stocks. In addition, some reagent impurities were found in the HN3 batches that were presumably not altered during synthesis and believed to be indicative of reagent type regardless of stock. Supervised classification using partial least squares discriminant analysis (PLSDA) on the impurity profiles of chloroform samples from seven stocks resulted in an average classification error by cross-validation of 2.4%. A classification error of zero was obtained using the seven-stock PLSDA model on a validation set of samples from an arbitrarily selected chloroform stock. In a separate analysis, all samples from two of seven chloroform stocks that were purposely not modeled had their samples matched to a chloroform stock rather than assigned a “no class” classification.

  5. Influence of chemical agents on the surface area and porosity of active carbon hollow fibers

    Directory of Open Access Journals (Sweden)

    LJILJANA M. KLJAJEVIĆ

    2011-09-01

    Full Text Available Active carbon hollow fibers were prepared from regenerated polysulfone hollow fibers by chemical activation using: disodium hydrogen phosphate 2-hydrate, disodium tetraborate 10-hydrate, hydrogen peroxide, and diammonium hydrogen phosphate. After chemical activation fibers were carbonized in an inert atmosphere. The specific surface area and porosity of obtained carbons were studied by nitrogen adsorption–desorption isotherms at 77 K, while the structures were examined with scanning electron microscopy and X-ray diffraction. The activation process increases these adsorption properties of fibers being more pronounced for active carbon fibers obtained with disodium tetraborate 10-hydrate and hydrogen peroxide as activator. The obtained active hollow carbons are microporous with different pore size distribution. Chemical activation with phosphates produces active carbon material with small surface area but with both mesopores and micropores. X-ray diffraction shows that besides turbostratic structure typical for carbon materials, there are some peaks which indicate some intermediate reaction products when sodium salts were used as activating agent. Based on data from the electrochemical measurements the activity and porosity of the active fibers depend strongly on the oxidizing agent applied.

  6. Optimizing the Chemical Compositions of Protective Agents for Freeze-drying Bifidobacterium longum BIOMA 5920

    Institute of Scientific and Technical Information of China (English)

    杨婵媛; 朱晓丽; 范代娣; 米钰; 骆艳娥; 惠俊峰; 苏然

    2012-01-01

    Freeze drying has a deleterious effect on the viability of microorganisms. In front of this difficulty, the present study adopts response surface methodology to optimize the chemical compositions of protective agents to seek for maximum viability of Bifidobacterium longum BIOMA 5920 during freeze-drying. Through the compara- tive analysis of single protectant, the complex protective agents show better effect on the Bifidobacterium viability. Human-like collagen (HLC), trehalose and glycerol are confirmed as significant factors by Box-Behnken Design. The optimized formula for these three variables is tested as follows: HLC 1.23%, trehalose 11.50% and glycerol 4.65%. Under this formula, the viability is 88.23%, 39.67% higher in comparison to the control. The viable count is 1.07×10 9 cfu·g-1 , greatly exceeding the minimum viable count requirement (10 6 cfu·g-1 ).

  7. Investigation of Acute Toxicity of a Chemical Warfare Agent in Kidneys

    Directory of Open Access Journals (Sweden)

    Turgut Topal

    2007-08-01

    Full Text Available One of the most important chemical warfare agents, sulfur mustard (SM causes crucial acute and chronic toxic effects. Lung, skin, eye and kidneys are the most affected organs. In this work, it was investigated if increased nitric oxide (NO and peroxynitrite are involved in nitrogen mustard (NM induced kidney damage. In this experimen, aminoguanidine (AG as inducible nitric oxide synthase (iNOS inhibitor and ebselen as peroxynitrite scavenger were used. NM administration resulted in important oxidant and antioxidant changes as well as tissue damage in kidneys. Therapeutic agents showed significant protection and reduced oxidant parameteres leading to tissue healing was observed. Results of this study suggest that drugs with similar properties can be used to protect kidney damage caused by NM. [TAF Prev Med Bull. 2007; 6(4: 227-232

  8. Investigation of Acute Toxicity of a Chemical Warfare Agent in Kidneys

    Directory of Open Access Journals (Sweden)

    Turgut Topal

    2007-08-01

    Full Text Available One of the most important chemical warfare agents, sulfur mustard (SM causes crucial acute and chronic toxic effects. Lung, skin, eye and kidneys are the most affected organs. In this work, it was investigated if increased nitric oxide (NO and peroxynitrite are involved in nitrogen mustard (NM induced kidney damage. In this experimen, aminoguanidine (AG as inducible nitric oxide synthase (iNOS inhibitor and ebselen as peroxynitrite scavenger were used. NM administration resulted in important oxidant and antioxidant changes as well as tissue damage in kidneys. Therapeutic agents showed significant protection and reduced oxidant parameteres leading to tissue healing was observed. Results of this study suggest that drugs with similar properties can be used to protect kidney damage caused by NM. [TAF Prev Med Bull 2007; 6(4.000: 227-232

  9. Decontamination of adsorbed chemical warfare agents on activated carbon using hydrogen peroxide solutions.

    Science.gov (United States)

    Osovsky, Ruth; Kaplan, Doron; Nir, Ido; Rotter, Hadar; Elisha, Shmuel; Columbus, Ishay

    2014-09-16

    Mild treatment with hydrogen peroxide solutions (3-30%) efficiently decomposes adsorbed chemical warfare agents (CWAs) on microporous activated carbons used in protective garments and air filters. Better than 95% decomposition of adsorbed sulfur mustard (HD), sarin, and VX was achieved at ambient temperatures within 1-24 h, depending on the H2O2 concentration. HD was oxidized to the nontoxic HD-sulfoxide. The nerve agents were perhydrolyzed to the respective nontoxic methylphosphonic acids. The relative rapidity of the oxidation and perhydrolysis under these conditions is attributed to the microenvironment of the micropores. Apparently, the reactions are favored due to basic sites on the carbon surface. Our findings suggest a potential environmentally friendly route for decontamination of adsorbed CWAs, using H2O2 without the need of cosolvents or activators.

  10. DNA-damaging agents in cancer chemotherapy: serendipity and chemical biology.

    Science.gov (United States)

    Cheung-Ong, Kahlin; Giaever, Guri; Nislow, Corey

    2013-05-23

    DNA-damaging agents have a long history of use in cancer chemotherapy. The full extent of their cellular mechanisms, which is essential to balance efficacy and toxicity, is often unclear. In addition, the use of many anticancer drugs is limited by dose-limiting toxicities as well as the development of drug resistance. Novel anticancer compounds are continually being developed in the hopes of addressing these limitations; however, it is essential to be able to evaluate these compounds for their mechanisms of action. This review covers the current DNA-damaging agents used in the clinic, discusses their limitations, and describes the use of chemical genomics to uncover new information about the DNA damage response network and to evaluate novel DNA-damaging compounds.

  11. Post-column reaction detector for platinum(II) antieoplastic agents

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, K.C.; Sternson, L.A.; Repta, A.J.

    1984-03-01

    The development and evaluation of a post-column reaction detector sensitive to platinum(II) complexes is presented in which sodium bisulfite is used as the derivatizing agent with potassium dichromate as an activating agent. The influences of mobile phase changes (i.e., pH, organic modifiers, electrolytes), oxygen, metal ions, and order of reagent addition on reaction kinetics and product yield are defined and used in optimization of detector response. Detection at lambda/sub max/ 290 nm results in an on-line post-column sensitivity of 40-60 ng/mL for selected cis-dichloroplatinum complexes and a sensitivity of 300-1200 ng/mL for four (substituted)-malonato-platinum complexes. The reaction detector is used to monitor the kinetics of aquation of cisplatin (CDDP) and to quantitate CDDP degradation in plasma. As the sensitivity for CDDP in plasma is comparable to that achieved from high pressure liquid chromatography (HPLC) effluent fractionation/off-line flameless atomic absorption (AAS) quantitation, significant utilitiy for this time-efficient post-column reactor in clinical analysis is suggested. 33 references, 8 figures, 2 tables.

  12. Development of Bicarbonate-Activated Peroxide as a Chemical and Biological Warfare Agent Decontaminant

    Science.gov (United States)

    2006-06-30

    Peroxide (HOO-) 7.8 29 26.7 ± 0.2 t-Butyl hydroperoxide ((CH3)3COO-) 7.8 9.7 39 Cumene hydroperoxide ((C6H6)C(CH3)2OO-) 7.8 9.3 22 All reactions run with...peroxymonocarbonate ion (HCO4-) as the oxidant in the catalytic oxidation reactions . For perhydrolytic cleavage of organophosphates the peroxycarbonate dianion...solubility and reaction rates for applications in chemical warfare agent decontamination. -O *C O O OH -O *C OH O HO *C OH O *CO2 HO2 - H2OHO *C O O OH pKa

  13. Ultrahigh Vacuum Studies of the Fundamental Interactions of Chemical Warfare Agents and Their Simulants with Amorphous Silica

    Science.gov (United States)

    2015-07-14

    G. The Dissociative Adsorptoin of N2 on a Multiply Promoted Iron Catalyst Used for Ammonia Synthesis : A Temperature Programmed Desorption Study...where their potential use as chemical warfare agents began. The synthesis of other G-series agents, G standing for German, shortly followed. Also...warfare. The most common blister agent, sulfur mustard, was first synthesized in 1822 by Despretz. Victor Meyer developed a modified synthesis to

  14. Lymphohematopoietic Cancers Induced by Chemicals and Other Agents: Overview and Implications for Risk Assessment (External Review Draft)

    Science.gov (United States)

    This draft report provides an overview of the types of mechanisms underlying the lymphohematopoietic cancers induced by chemical agents and radiation in humans, with a primary emphasis on leukemia and leukemia-inducing agents. It focuses on how mechanistic information on human l...

  15. A Survey of Commercially Available Chemical Agent Instrumentation for Use in the Field

    Energy Technology Data Exchange (ETDEWEB)

    Haas, J S; Alcaraz, A; Andresen, B D; Pruneda, C O

    2002-03-01

    Lawrence Livermore National Laboratory's (LLNL) Forensic Science Center (FSC) has extensive experience and capabilities in the analysis of chemical agents (CA) and related compounds as well as experience in identifying these materials in the field (i.e. samples such as those found in soils, liquids, gases). An open source survey was performed to determine viable, commercially available technology that can detect, in situ, CA and also meet field-use performance criteria as specified by the Program Management Consultant (PMC). The performance requirements of the technology include accuracy, reliability, integration onto robotics, and chemical detection sensitivities that meet required specifications. Not included in this survey are technologies and methodologies to detect CA decomposition products and related waste streams.

  16. Annotated Bibliography for Lake Erie. Volume II. Chemical,

    Science.gov (United States)

    1974-10-01

    Kennedy. 1970. Chlorinated hydrocarbon, microparticulate effects on microorganisms isolated from Lake Erie. Internat. Assoc. Great Lakes Res. Proc...nitrogen, ninhydrin- positive compounds, and protein amino acid concentration. Thon, J. - See: W. A. Steggles, No. 302. Traversy, W. J. - See: V. K...works, textile, glue, tanning and chemical industries, canneries, milk plants, laundries, garbage and other wastes of lesser importance. Waldron, A. C

  17. Chemical Diversity of Metabolites from Fungi, Cyanobacteria, and Plants Relative to FDA-Approved Anticancer Agents.

    Science.gov (United States)

    El-Elimat, Tamam; Zhang, Xiaoli; Jarjoura, David; Moy, Franklin J; Orjala, Jimmy; Kinghorn, A Douglas; Pearce, Cedric J; Oberlies, Nicholas H

    2012-07-12

    A collaborative project has been undertaken to explore filamentous fungi, cyanobacteria, and tropical plants for anti-cancer drug leads. Through principal component analysis, the chemical space covered by compounds isolated and characterized from these three sources over the last four years was compared to each other and to the chemical space of selected FDA-approved anticancer drugs. Using literature precedence, nine molecular descriptors were examined: molecular weight, number of chiral centers, number of rotatable bonds, number of acceptor atoms for H-bonds (N,O,F), number of donor atoms for H-bonds (N and O), topological polar surface area using N,O polar contributions, Moriguchi octanol-water partition coefficient, number of nitrogen atoms, and number of oxygen atoms. Four principal components explained 87% of the variation found among 343 bioactive natural products and 96 FDA-approved anticancer drugs. Across the four dimensions, fungal, cyanobacterial and plant isolates occupied both similar and distinct areas of chemical space that collectively aligned well with FDA-approved anticancer agents. Thus, examining three separate re-sources for anticancer drug leads yields compounds that probe chemical space in a complementary fashion.

  18. Water security: continuous monitoring of water distribution systems for chemical agents by SERS

    Science.gov (United States)

    Inscore, Frank; Shende, Chetan; Sengupta, Atanu; Farquharson, Stuart

    2007-04-01

    Ensuring safe water supplies requires continuous monitoring for potential poisons and portable analyzers to map distribution in the event of an attack. In the case of chemical warfare agents (CWAs) analyzers are needed that have sufficient sensitivity (part-per-billion), selectivity (differentiate the CWA from its hydrolysis products), and speed (less than 10 minutes) to be of value. We have been investigating the ability of surface-enhanced Raman spectroscopy (SERS) to meet these requirements by detecting CWAs and their hydrolysis products in water. The expected success of SERS is based on reported detection of single molecules, the one-to-one relationship between a chemical and its Raman spectrum, and the minimal sample preparation requirements. Recently, we have developed a simple sampling device designed to optimize the interaction of the target molecules with the SERS-active material with the goal of increasing sensitivity and decreasing sampling times. This sampling device employs a syringe to draw the water sample containing the analyte into a capillary filled with the SERS-active material. Recently we used such SERS-active capillaries to measure 1 ppb cyanide in water. Here we extend these measurements to nerve agent hydrolysis products using a portable Raman analyzer.

  19. Toothpastes containing abrasive and chemical whitening agents: efficacy in reducing extrinsic dental staining.

    Science.gov (United States)

    Soares, Cristina Neves Girao Salgado; Amaral, Flavia Lucisano Botelho do; Mesquita, Marcelo Ferraz; Franca, Fabiana Mantovani Gomes; Basting, Roberta Tarkany; Turssi, Cecilia Pedroso

    2015-01-01

    This in vitro study evaluated the efficacy of toothpastes containing abrasive and chemical whitening agents in reducing the extrinsic discoloration of dental enamel. Sixty slabs of dentin from human teeth were sealed so that only the enamel surface was exposed. The enamel surfaces were photographed for initial color assessment. Staining was performed by immersing the dental slabs in 0.2% chlorhexidine solution for 2 minutes and then in black tea for 60 minutes. This process was repeated 15 times. Photographs were taken at the end of the staining process, and the slabs were divided into 5 groups (n = 12), 3 to be brushed with toothpastes containing chemical whitening agents (2 containing phosphate salts and 1 containing phosphate salts plus hydrogen peroxide) and 2 to represent control groups (ordinary/nonwhitening toothpaste and distilled water). The dental slabs were subjected to mechanical toothbrushing with toothpaste slurry or distilled water, according to each group's specifications. After brushing, more photographs were taken for color analysis. The results showed a significant reduction in luminosity after the staining process in addition to an increase in the colors red and yellow (P toothpastes and the changes found in slabs brushed with ordinary toothpaste. The whitening toothpastes did not outperform an ordinary toothpaste in the removal of extrinsic staining.

  20. Late effects from whole body irradiation and protection by chemical and biological agents. A review

    Energy Technology Data Exchange (ETDEWEB)

    Maisin, J.R. [Catholic Univ. of Louvain, Brussels (Belgium); Gerber, G.B.

    2000-07-01

    This review described studies attempting to reduce damage of exposure to ionizing radiation with an application of chemical or biological agents by illustrating authors' data to point out which possibilities such protectors might hold in future. Authors described their studies on mice exposed to a single or fractionated dose of X-rays at the Belgian Atomic Center at Mol. Mice were irradiated with 250 kV of X-rays at a dose rate of 1 Gy/min or underwent the fractionated irradiation of 1-week intervals with total dose of 2-25 Gy. Before irradiation, some animals were given glutathione, mercaptoethylamine, cystein, serotonine-creatine, 2{beta}-aminoethylisothiuronium, and other agents, alone or as a mixture. Results indicated that radioprotectors reduced many specific late diseases to different degrees together with protection against tumor induction which other investigators had shown. Future prospects were considered for ideal radioprotectors and searches for new radioprotectors and for combination of biological agents (e.g., cytokines with polysaccharides or prostaglandins) were described. (K.H.)

  1. Chemical Posttranslational Modification with Designed Rhodium(II) Catalysts.

    Science.gov (United States)

    Martin, S C; Minus, M B; Ball, Z T

    2016-01-01

    Natural enzymes use molecular recognition to perform exquisitely selective transformations on nucleic acids, proteins, and natural products. Rhodium(II) catalysts mimic this selectivity, using molecular recognition to allow selective modification of proteins with a variety of functionalized diazo reagents. The rhodium catalysts and the diazo reactivity have been successfully applied to a variety of protein folds, the chemistry succeeds in complex environments such as cell lysate, and a simple protein blot method accurately assesses modification efficiency. The studies with rhodium catalysts provide a new tool to study and probe protein-binding events, as well as a new synthetic approach to protein conjugates for medical, biochemical, or materials applications.

  2. Comparison of adsorption of Cd(II and Pb(II ions on pure and chemically modified fly ashes

    Directory of Open Access Journals (Sweden)

    Sočo Eleonora

    2016-06-01

    Full Text Available The study investigates chemical modifications of coal fly ash (FA treated with HCl or NH4HCO3 or NaOH or Na2edta, based on the research conducted to examine the behaviour of Cd(II and Pb(II ions adsorbed from water solution on treated fly ash. In laboratory tests, the equilibrium and kinetics were examined applying various temperatures (293 - 333 K and pH (2 - 11 values. The maximum Cd(II and Pb(II ions adsorption capacity obtained at 293 K, pH 9 and mixing time 2 h from the Langmuir model can be grouped in the following order: FA-NaOH > FA-NH4HCO3 > FA > FA-Na2edta > FA-HCl. The morphology of fly ash grains was examined via small-angle X-ray scattering (SAXS and images of scanning electron microscope (SEM. The adsorption kinetics data were well fitted by a pseudo-second-order rate model but showed a very poor fit for the pseudofirst order model. The intra-particle model also revealed that there are two separate stages in the sorption process, i.e. the external diffusion and the inter-particle diffusion. Thermodynamics parameters such as free energy, enthalpy and entropy were also determined. A laboratory test demonstrated that the modified coal fly ash worked well for the Cd(II and Pb(II ion uptake from polluted waters.

  3. Chemical characterization and ecotoxicity of three soil foaming agents used in mechanized tunneling

    Energy Technology Data Exchange (ETDEWEB)

    Baderna, Diego, E-mail: diego.baderna@marionegri.it [Laboratory of Environmental Chemistry and Toxicology, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Lomazzi, Eleonora [Laboratory of Environmental Chemistry and Toxicology, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Passoni, Alice [Unit of Analytical Instrumentation, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Pogliaghi, Alberto; Petoumenou, Maria Ifigeneia [Laboratory of Environmental Chemistry and Toxicology, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Bagnati, Renzo [Unit of Analytical Instrumentation, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Lodi, Marco [Laboratory of Environmental Chemistry and Toxicology, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Viarengo, Aldo; Sforzini, Susanna [Department of Sciences and Technological Innovation (DiSIT), University of Piemonte Orientale “A. Avogadro”, 15121 Alessandria (Italy); Benfenati, Emilio [Laboratory of Environmental Chemistry and Toxicology, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy); Fanelli, Roberto [Department of Environmental Health Sciences, IRCCS – Istituto di Ricerche Farmacologiche Mario Negri, Via Giuseppe La Masa 19, 20156 Milan (Italy)

    2015-10-15

    Highlights: • An integrated approach was applied to study three foaming agents. • Several compounds not reported on the safety data sheets were identified by HRMS. • Environmental impacts were investigated with a battery of biological assays. • An ecotoxicological ranking of the products was obtained. - Abstract: The construction of tunnels and rocks with mechanized drills produces several tons of rocky debris that are today recycled as construction material or as soil replacement for covering rocky areas. The lack of accurate information about the environmental impact of these excavated rocks and foaming agents added during the excavation process has aroused increasing concern for ecosystems and human health. The present study proposes an integrated approach to the assessment of the potential environmental impact of three foaming agents containing different anionic surfactants and other polymers currently on the market and used in tunnel boring machines. The strategy includes chemical characterization with high resolution mass spectrometry techniques to identify the components of each product, the use of in silico tools to perform a similarity comparison among these compounds and some pollutants already listed in regulatory frameworks to identify possible threshold concentrations of contamination, and the application of a battery of ecotoxicological assays to investigate the impact of each foaming mixture on model organisms of soil (higher plants and Eisenia andrei) and water communities (Daphnia magna). The study identified eleven compounds not listed on the material safety data sheets for which we have identified possible concentrations of contamination based on existing regulatory references. The bioassays allowed us to determine the no effect concentrations (NOAECs) of the three mixtures, which were subsequently used as threshold concentration for the product in its entirety. The technical mixtures used in this study have a different degree of toxicity

  4. Disposal of chemical agents and munitions stored at Anniston Army Depot, Anniston, Alabama

    Energy Technology Data Exchange (ETDEWEB)

    Hunsaker, D.B. Jr.; Zimmerman, G.P.; Hillsman, E.L.; Miller, R.L.; Schoepfle, G.M.; Johnson, R.O.; Tolbert, V.R.; Kroodsma, R.L.; Rickert, L.W.; Rogers, G.O.; Staub, W.P.

    1990-09-01

    The purpose of this Phase I report is to examined the proposed implementation of on-site disposal at Anniston Army Depot (ANAD) in light of more detailed and more recent data than those included in the Final Programmatic Environmental Impact Statement (EPEIS). Two principal issues are addressed: (1) whether or not the new data would result in identification of on-site disposal at ANAD as the environmentally preferred alternative (using the same selection method and data analysis tools as in the FPEIS), and (2) whether or not the new data indicate the presence of significant environmental resources that could be affected by on-site disposal at ANAD. In addition, a status report is presented on the maturity of the disposal technology (and now it could affect on-site disposal at ANAD). Inclusion of these more recent data into the FPEIS decision method resulted in confirmation of on-site disposal for ANAD. No unique resources with the potential to prevent or delay implementation of on-site disposal at ANAD have been identified. A review of the technology status identified four principal technology developments that have occurred since publication of the FPEIS and should be of value in the implementation of on-site disposal at ANAD: the disposal of nonlethal agent at Pine Bluff Arsenal, located near Pine Bluff, Arkansas; construction and testing of facilities for disposal of stored lethal agent at Johnston Atoll, located about 1300 km (800 miles) southwest of Hawaii in the Pacific Ocean; lethal agent disposal tests at the chemical agent pilot plant operations at Tooele Army Depot, located near Salt Lake City, Utah; and equipment advances. 18 references, 13 figs., 10 tabs.

  5. Integrating the Agents of Bioterrorism into the General Biology Curriculum: II. Mode of Action of the Biological Agents.

    Science.gov (United States)

    Pommerville, Jeffrey C.

    2003-01-01

    Integrates bioterrorism into the science curriculum and explains actions against serious agents such as anthrax, plague, smallpox, botulinum toxin, and ricin toxin. Uses the learning cycle as the instructional tool which is student-centered and has three phases that include exploring, explaining, and extending. (Contains 24 references.) (YDS)

  6. Microleakage of Class II Combined Amalgam-Composite Restorations Using Different Composites and Bonding Agents

    Directory of Open Access Journals (Sweden)

    F. Sharafeddin

    2008-09-01

    Full Text Available Objective: The purpose of the present study was to assess the microleakage of composite restorations with and without a cervical amalgam base and to compare the results of dif-ferent composites and bonding agents.Materials and Methods: One hundred and twenty mesio-occlusal (MO and disto-occlusal (DO Class II cavities were prepared on sixty extracted permanent premolar teeth. The teeth were randomly divided into four groups of 30 and restored as follows:In group A, the mesio-occlusal cavity (MO, Scotchbond multi purpose plus + Z250 and in the disto-occlusal (DO cavity, Prompt-L-Pop + Z250 were applied. As for group B, in the MO and DO cavities, Clearfil SE Bond + Clearfil APX, and varnish + amalgam (In box + Clearfil SE Bond + Clearfil APX were used respectivelywhile in group C; the teeth were restored with amalgam and varnish mesio-occlusally and with amalgam only disto-occlusally. As for group D, varnish + amalgam (in box + Scotchbond multi purpose plus + Z250 were applied mesio-occlusally and Varnish + Amalgam (in box + Prompt–L–Pop + Z250 disto-occlusally.Marginal leakage was assessed by the degree of dye penetration into various sections of the restored teeth. Chi-square and Fisher's exact tests were used for data analysis.Results: Microleakage in gingival margin was more than that in occlusal margin (P<0.05 and microleakage of combined amalgam-composite restorations was significantly lower than that of conventional composite and amalgam restorations.Conclusion: Marginal microleakage decreased by using amalgam at the base of the box in Class II composite restorations.

  7. Hematotoxicity response in rats by the novel copper-based anticancer agent: casiopeina II.

    Science.gov (United States)

    De Vizcaya-Ruiz, A; Rivero-Müller, A; Ruiz-Ramirez, L; Howarth, J A; Dobrota, M

    2003-12-15

    The in vivo toxicity of the novel copper-based anticancer agent, casiopeina II (Cu(4,7-dimethyl-1,10-phenanthroline)(glycine)NO3) (CII), was investigated. Casiopeinas are a family of copper-coordinated complexes that have shown promising anticancer activity. The major toxic effect attributed to a single i.v. administration of CII (5 mg/kg dose) in the rat was an hemolytic anemia (reduced hemoglobin concentration (HB), red blood cell (RBC) count and packed cell volume (PCV) accompanied by a marked neutrophilic leukocytosis) 12 h and 5 days after administration, attributed to a direct erythrocyte damage. Increased reticulocyte levels and presence of normoblasts in peripheral blood 5 days post-administration indicated an effective erythropoietic response with recovery at 15 days. Increase in spleen weight and the morphological evidence of congestion of the red pulp (RP) with erythrocytes (E) resulting in a higher ratio of red to white pulp (WP) was consistent with increased uptake of damaged erythrocytes by the reticuloendothelial system observed by histopathology and electron microscopy. Extramedullary hemopoiesis was markedly increased at 5 days giving further evidence of a regenerative erythropoietic response that had an effective recovery by 15 days. Morphological changes in spleen cellularity were consistent with hematotoxicity, mainly a reduction of the red pulp/white pulp ratio, increase in erythrocyte content at 12 h, and an infiltration of nucleated cells in the red pulp at 5 days, with a tendency towards recovery 15 days after administration. The erythrocyte damage is attributed to generation of free radicals and oxidative damage on the membrane and within cells resulting from the reduction of Cu(II) and the probable dissociation of the CII complex.

  8. Relative abundance of chemical forms of Cu(II) and Cd(II) on soybean roots as influenced by pH, cations and organic acids

    Science.gov (United States)

    Zhou, Qin; Liu, Zhao-Dong; Liu, Yuan; Jiang, Jun; Xu, Ren-Kou

    2016-11-01

    Little information is available on chemical forms of heavy metals on integrate plant roots. KNO3 (1 M), 0.05M EDTA at pH6 and 0.01 M HCl were used sequentially to extract the exchangeable, complexed and precipitated forms of Cu(II) and Cd(II) from soybean roots and then to investigate chemical form distribution of Cu(II) and Cd(II) on soybean roots. Cu(II) and Cd(II) adsorbed on soybean roots were mainly exchangeable form, followed by complexed form, while their precipitated forms were very low under acidic conditions. Soybean roots had a higher adsorption affinity to Cu(II) than Cd(II), leading to higher toxic of Cu(II) than Cd(II). An increase in solution pH increased negative charge on soybean and thus increased exchangeable Cu(II) and Cd(II) on the roots. Ca2+, Mg2+ and NH4+ reduced exchangeable Cu(II) and Cd(II) levels on soybean roots and these cations showed greater effects on Cd(II) than Cu(II) due to greater adsorption affinity of the roots to Cu(II) than Cd(II). L-malic and citric acids decreased exchangeable and complexed Cu(II) on soybean roots. In conclusion, Cu(II) and Cd(II) mainly existed as exchangeable and complexed forms on soybean roots. Ca2+ and Mg2+ cations and citric and L-malic acids can potentially alleviate Cu(II) and Cd(II) toxicity to plants.

  9. Decomposition of 2-chloroethylethylsulfide on copper oxides to detoxify polymer-based spherical activated carbons from chemical warfare agents.

    Science.gov (United States)

    Fichtner, S; Hofmann, J; Möller, A; Schrage, C; Giebelhausen, J M; Böhringer, B; Gläser, R

    2013-11-15

    For the decomposition of chemical warfare agents, a hybrid material concept was applied. This consists of a copper oxide-containing phase as a component with reactive functionality supported on polymer-based spherical activated carbon (PBSAC) as a component with adsorptive functionality. A corresponding hybrid material was prepared by impregnation of PBSAC with copper(II)nitrate and subsequent calcination at 673K. The copper phase exists predominantly as copper(I)oxide which is homogeneously distributed over the PBSAC particles. The hybrid material containing 16 wt.% copper on PBSAC is capable of self-detoxifying the mustard gas surrogate 2-chloroethylethylsulfide (CEES) at room temperature. The decomposition is related to the breakthrough behavior of the reactant CEES, which displaces the reaction product ethylvinylsulfide (EVS). This leads to a combined breakthrough of CEES and EVS. The decomposition of CEES is shown to occur catalytically over the copper-containing PBSAC material. Thus, the hybrid material can even be considered to be self-cleaning.

  10. H II Regions and Protosolar Abundances in Galactic Chemical Evolution

    Directory of Open Access Journals (Sweden)

    L. Carigi

    2011-01-01

    Full Text Available Presentamos modelos de evolución química del disco galáctico con diferentes rendimientos dependientes de Z. Encontramos que una tasa moderada de pérdida de masa en estrellas masivas de metalicidad solar produce un excelente ajuste con los gradientes de C/H y C/O del disco de la Galaxia. El mejor modelo reproduce: las abundancias de H, He, C y O derivadas de líneas de recombinación en M17, las abundancias protosolares y las relaciones C/O-O/H, C/Fe-Fe/H y O/Fe-Fe/H derivadas de estrellas de la vecindad solar. La concordancia del modelo con las abundancias protosolares implica que el Sol se originó a una distancia galactocéntrica similar a la actual. El modelo para r = 3 kpc implica que una fracción de las estrellas en la dirección del bulbo se formó en el disco interno. Nuestro modelo reproduce la relación C/O-O/H derivada de regiones H II extragalácticas en galaxias espirales.

  11. Novel Zinc(II) Complexes of Heterocyclic Ligands as Antimicrobial Agents: Synthesis, Characterisation, and Antimicrobial Studies

    Science.gov (United States)

    Yamgar, Ramesh S.; Nivid, Y.; Nalawade, Satish; Mandewale, Mustapha; Atram, R. G.; Sawant, Sudhir S.

    2014-01-01

    The synthesis and antimicrobial activity of novel Zn(II) metal complexes derived from three novel heterocyclic Schiff base ligands 8-[(Z)-{[3-(N-methylamino)propyl]imino}methyl]-7-hydroxy-4-methyl-2H-chromen-2-one, 2-[(E)-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]imino}methyl]phenol, and (4S)-4-{4-[(E)-(2-hydroxybenzylidene)amino]benzyl}-1,3-oxazolidin-2-one have been described. These Schiff base ligands and metal complexes are characterised by spectroscopic techniques. According to these data, we propose an octahedral geometry to all the metal complexes. Antimicrobial activity of the Schiff base ligand and its metal complexes was studied against Gram negative bacteria: E. coli and Pseudomonas fluorescens, Gram positive bacteria: Staphylococcus aureus, and also against fungi, that is, C. albicans and A. niger. Some of the metal complexes show significant antifungal activity (MIC < 0.2 μg/mL). The “in vitro” data has identified [Zn(NMAPIMHMC)2]·2H2O, [Zn(TMPIMP)2]·2H2O, and [Zn(HBABO)2]·2H2O as potential therapeutic antifungal agents against C. albicans and A. niger. PMID:24707242

  12. Using Mode of Action to Assess Health Risks from Mixtures of Chemical/Physical Agents

    Energy Technology Data Exchange (ETDEWEB)

    Bull, Richard J.; Lei, Xingye C.; Sasser, Lyle B.

    2003-01-20

    a low, but effective, dose of one agent was superimposed on a high dose of another. When given at high doses, the effects were generally no greater than observed with either agent alone. A low dose of TCA was clearly antagonistic to a high dose of DCA. This antagonism carried throughout the dose response curve for TCA. Apparently, these interactions involve some subtle modification of effects by one chemical in cells responsive to the other chemical. Consequently, our findings do not argue that interactions will extend below the effective doses of either chemical.

  13. Benzotriazole as a passivating agent during chemical mechanical planarization of Ni-P alloy substrates

    Science.gov (United States)

    Mu, Yan; Zhong, Mingjie; Rushing, Kenneth J.; Li, Yuzhuo; Shipp, Devon A.

    2014-10-01

    With the rapid increase of data storage density on computer hard disk drives (HDDs), the operation distance between read/write head and disk surface has fallen to just a few nanometers. Chemical mechanical planarization (CMP) has been selected as the best process to produce high quality surface finish during the manufacturing of Ni-P alloy substrates for HDD applications. Herein we report, for the first time, the use of benzotriazole (BTA) as a passivating agent in CMP slurries to decrease the surface roughness (Ra). Results show that the average Ra of the polished surfaces is decreased to 0.2 nm in a 5 μm × 5 μm scan area with the adding of 2 mM BTA. X-ray photoelectron spectroscopy (XPS) and electrochemical studies results further prove the interaction between BTA and Ni-P surface and the formation of an effective passivating layer on Cu in CMP slurries containing BTA.

  14. Pretreatment of highly turbid coal mine drainage by a chemical agent free filtration system

    Institute of Scientific and Technical Information of China (English)

    Zhang Chunhui; He Xiong; Li Kaihe; Wu Dongsheng; Guo Yanrong; Wang Can

    2012-01-01

    A filtration system used without chemical agents for the pretreatment of turbid coal mine drainage is described in this paper.The influence of different aperture sizes and different motor speeds was investigated during the study.The experimental results show that for aperture diameters of 0.4,0.6,or 0.8 mm smaller apertures provide more complete filtration.Rotations of 12,20,28,or 40 r/min show that higher speeds give more efficient filtration.Suspended solids decreased in both particle size and concentration after the filtration.The separated slime can be directly reused as a fuel.Efficient filtration pretreatment systems for coal mine drainage were investigated and the economic feasibility is analyzed in this article.

  15. Environmental toxicity of Chemical Warfare Agents (CWAs) - MicrotoxTM and Spontaneous Locomotor Changes

    DEFF Research Database (Denmark)

    Storgaard, Morten Swayne; Sanderson, Hans; Baatrup, Erik

    After the 2nd World War the CWAs were prohibited by law and 11,000 tonnes of toxic agents were dumped in the Bornholm Basin east of Bornholm. The dumped chemical munitions have not reached attention from politicians and scientists until recently. During earlier projects, such as MERCW (2005...... to be illuminated in which this study hopefully will contribute to. Especially, chronic toxicity needs to be described as this mimics a more environmentally realistic situation. One or two compounds will be accessed based upon various factors such as detection frequencies, found concentrations in both sediment...... to the commercially important cod (Gadus morrhua). The cod migrates down to the seafloor – even crossing the oxycline - where the CWA munitions were dumped. To sum up, this study will obtain novel ecotoxicity data on recently discovered degradation products and assess the potential threat to the commercially...

  16. Trapping of organophosphorus chemical nerve agents in water with amino acid functionalized baskets.

    Science.gov (United States)

    Ruan, Yian; Dalkiliç, Erdin; Peterson, Paul W; Pandit, Aroh; Dastan, Arif; Brown, Jason D; Polen, Shane M; Hadad, Christopher M; Badjić, Jovica D

    2014-04-07

    We prepared eleven amino-acid functionalized baskets and used (1) H NMR spectroscopy to quantify their affinity for entrapping dimethyl methylphosphonate (DMMP, 118 Å(3) ) in aqueous phosphate buffer at pH=7.0±0.1; note that DMMP guest is akin in size to chemical nerve agent sarin (132 Å(3) ). The binding interaction (Ka ) was found to vary with the size of substituent groups at the basket's rim. In particular, the degree of branching at the first carbon of each substituent had the greatest effect on the host-guest interaction, as described with the Verloop's B1 steric parameter. The branching at the remote carbons, however, did not perturb the encapsulation, which is important for guiding the design of more effective hosts and catalysts in future.

  17. Sulfomethylated lignosulfonates as additives in oil recovery processes involving chemical recovery agents

    Energy Technology Data Exchange (ETDEWEB)

    Kalfoglou, G.

    1979-10-30

    A process for producing petroleum from subterranean formations is disclosed wherein production from the formation is obtained by driving a fluid from an injection well to a production well. The process involves injecting via the injection well into the formation an aqueous solution of sulfomethylated lignosulfonate salt as a sacrificial agent to inhibit the deposition of surfactant and/or polymer on the reservoir matrix. The process may best be carried out by injecting the sulfomethylated lignosulfonates into the formation through the injection well mixed with either a polymer, a surfactant solution and/or a micellar dispersion. This mixture would then be followed by a drive fluid such as water to push the chemicals to the production well.

  18. Sulfomethylated lignosulfonates as additives in oil recovery processes involving chemical recovery agents

    Energy Technology Data Exchange (ETDEWEB)

    Kalfoglou, G.

    1981-05-26

    A process for producing petroleum from subterranean formations is disclosed wherein production from the formation is obtained by driving a fluid from an injection well to a production well. The process involves injecting via the injection well into the formation an aqueous solution of sulfomethylated lignosulfonate salt as a sacrificial agent to inhibit the deposition of surfactant and/or polymer on the reservoir matrix. The process may best be carried out by injecting the sulfomethylated lignosulfonates into the formation through the injection well mixed with either a polymer, a surfactant solution and/or a micellar dispersion. This mixture would then be followed by a drive fluid such as water to push the chemicals to the production well.

  19. 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

  20. Chemical characterization and ecotoxicity of three soil foaming agents used in mechanized tunneling.

    Science.gov (United States)

    Baderna, Diego; Lomazzi, Eleonora; Passoni, Alice; Pogliaghi, Alberto; Petoumenou, Maria Ifigeneia; Bagnati, Renzo; Lodi, Marco; Viarengo, Aldo; Sforzini, Susanna; Benfenati, Emilio; Fanelli, Roberto

    2015-10-15

    The construction of tunnels and rocks with mechanized drills produces several tons of rocky debris that are today recycled as construction material or as soil replacement for covering rocky areas. The lack of accurate information about the environmental impact of these excavated rocks and foaming agents added during the excavation process has aroused increasing concern for ecosystems and human health. The present study proposes an integrated approach to the assessment of the potential environmental impact of three foaming agents containing different anionic surfactants and other polymers currently on the market and used in tunnel boring machines. The strategy includes chemical characterization with high resolution mass spectrometry techniques to identify the components of each product, the use of in silico tools to perform a similarity comparison among these compounds and some pollutants already listed in regulatory frameworks to identify possible threshold concentrations of contamination, and the application of a battery of ecotoxicological assays to investigate the impact of each foaming mixture on model organisms of soil (higher plants and Eisenia andrei) and water communities (Daphnia magna). The study identified eleven compounds not listed on the material safety data sheets for which we have identified possible concentrations of contamination based on existing regulatory references. The bioassays allowed us to determine the no effect concentrations (NOAECs) of the three mixtures, which were subsequently used as threshold concentration for the product in its entirety. The technical mixtures used in this study have a different degree of toxicity and the predicted environmental concentrations based on the conditions of use are lower than the NOAEC for soils but higher than the NOAEC for water, posing a potential risk to the waters due to the levels of foaming agents in the muck.

  1. Fusion of chemical, biological, and meteorological observations for agent source term estimation and hazard refinement

    Science.gov (United States)

    Bieringer, Paul E.; Rodriguez, Luna M.; Sykes, Ian; Hurst, Jonathan; Vandenberghe, Francois; Weil, Jeffrey; Bieberbach, George, Jr.; Parker, Steve; Cabell, Ryan

    2011-05-01

    Chemical and biological (CB) agent detection and effective use of these observations in hazard assessment models are key elements of our nation's CB defense program that seeks to ensure that Department of Defense (DoD) operations are minimally affected by a CB attack. Accurate hazard assessments rely heavily on the source term parameters necessary to characterize the release in the transport and dispersion (T&D) simulation. Unfortunately, these source parameters are often not known and based on rudimentary assumptions. In this presentation we describe an algorithm that utilizes variational data assimilation techniques to fuse CB and meteorological observations to characterize agent release source parameters and provide a refined hazard assessment. The underlying algorithm consists of a combination of modeling systems, including the Second order Closure Integrated PUFF model (SCIPUFF), its corresponding Source Term Estimation (STE) model, a hybrid Lagrangian-Eulerian Plume Model (LEPM), its formal adjoint, and the software infrastructure necessary to link them. SCIPUFF and its STE model are used to calculate a "first guess" source estimate. The LEPM and corresponding adjoint are then used to iteratively refine this release source estimate using variational data assimilation techniques. This algorithm has undergone preliminary testing using virtual "single realization" plume release data sets from the Virtual THreat Response Emulation and Analysis Testbed (VTHREAT) and data from the FUSION Field Trials 2007 (FFT07). The end-to-end prototype of this system that has been developed to illustrate its use within the United States (US) Joint Effects Model (JEM) will be demonstrated.

  2. Effect of Antimicrobial Agents on Physical and Chemical Properties of Ready-to-eat Bologna

    Directory of Open Access Journals (Sweden)

    Ayca Gedikoglu

    2015-05-01

    Full Text Available Quality and safety of ready-to-eat meat products can be altered by antimicrobial agents such as lactates, diacetates and citrates. This project evaluated the effect of Ional (1.5, 2.5, 3.5%, Ional LC (1.5, 2.5, 3.5% and Optiform SD4 (2.5% compared to a control on selected physical and chemical characteristics of ready-to-eat vacuum-packaged bologna slices stored less than 4°C for up to 112 days of retail display. Water activity (aw, expressible moisture (WHC, pH, fat and moisture content, cooking yield, texture profile analysis, puncture test, Hunter color values were evaluated. Addition of antimicrobials decreased pH. Product with Optiform SD4 (2.5% had the highest cooking yield. Bologna formulated with Optiform SD4 (2.5% had the highest springiness and hardness values after control and the highest puncture value. Water activity was not significantly different (p>0.05 between treatments. Furthermore, day of display had no significant effect on aw. L and a values were not significantly different between treatments, except for Ional LC (3.5% compared to the control. Overall, treatments with Ional (1.5%, (2.5% and Optiform SD4 (2.5% were most effective for preserving the quality of the bologna (s. Also, the highest levels of antimicrobial agents had a detrimental effect on the quality of ready-to-eat bolognas.

  3. Destruction of chemical agent simulants in a supercritical water oxidation bench-scale reactor

    Energy Technology Data Exchange (ETDEWEB)

    Veriansyah, Bambang [Supercritical Fluid Research Laboratory, Clean Technology Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of) and Department of Green Process and System Engineering, University of Science and Technology, 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)]. E-mail: vaveri@kist.re.kr; Kim, Jae-Duck [Supercritical Fluid Research Laboratory, Clean Technology Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of) and Department of Green Process and System Engineering, University of Science and Technology, 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)]. E-mail: jdkim@kist.re.kr; Lee, Jong-Chol [Agency for Defense Development (ADD), P.O. Box 35-1, Yuseong-gu, Daejeon (Korea, Republic of)]. E-mail: jcleeadd@hanafos.com

    2007-08-17

    A new design of supercritical water oxidation (SCWO) bench-scale reactor has been developed to handle high-risk wastes resulting from munitions demilitarization. The reactor consists of a concentric vertical double wall in which SCWO reaction takes place inside an inner tube (titanium grade 2, non-porous) whereas pressure resistance is ensured by a Hastelloy C-276 external vessel. The performances of this reactor were investigated with two different kinds of chemical warfare agent simulants: OPA (a mixture of isopropyl amine and isopropyl alcohol) as the binary precursor for nerve agent of sarin and thiodiglycol [TDG (HOC{sub 2}H{sub 4}){sub 2}S] as the model organic sulfur heteroatom. High destruction rates based on total organic carbon (TOC) were achieved (>99.99%) without production of chars or undesired gases such as carbon monoxide and methane. The carbon-containing product was carbon dioxide whereas the nitrogen-containing products were nitrogen and nitrous oxide. Sulfur was totally recovered in the aqueous effluent as sulfuric acid. No corrosion was noticed in the reactor after a cumulative operation time of more than 250 h. The titanium tube shielded successfully the pressure vessel from corrosion.

  4. Destruction of chemical agent simulants in a supercritical water oxidation bench-scale reactor.

    Science.gov (United States)

    Veriansyah, Bambang; Kim, Jae-Duck; Lee, Jong-Chol

    2007-08-17

    A new design of supercritical water oxidation (SCWO) bench-scale reactor has been developed to handle high-risk wastes resulting from munitions demilitarization. The reactor consists of a concentric vertical double wall in which SCWO reaction takes place inside an inner tube (titanium grade 2, non-porous) whereas pressure resistance is ensured by a Hastelloy C-276 external vessel. The performances of this reactor were investigated with two different kinds of chemical warfare agent simulants: OPA (a mixture of isopropyl amine and isopropyl alcohol) as the binary precursor for nerve agent of sarin and thiodiglycol [TDG, (HOC(2)H(4))2S] as the model organic sulfur heteroatom. High destruction rates based on total organic carbon (TOC) were achieved (>99.99%) without production of chars or undesired gases such as carbon monoxide and methane. The carbon-containing product was carbon dioxide whereas the nitrogen-containing products were nitrogen and nitrous oxide. Sulfur was totally recovered in the aqueous effluent as sulfuric acid. No corrosion was noticed in the reactor after a cumulative operation time of more than 250 h. The titanium tube shielded successfully the pressure vessel from corrosion.

  5. The possible role of intravenous lipid emulsion in the treatment of chemical warfare agent poisoning

    Directory of Open Access Journals (Sweden)

    Arik Eisenkraft

    2016-01-01

    Full Text Available Organophosphates (OPs are cholinesterase inhibitors that lead to a characteristic toxidrome of hypersecretion, miosis, dyspnea, respiratory insufficiency, convulsions and, without proper and early antidotal treatment, death. Most of these compounds are highly lipophilic. Sulfur mustard is a toxic lipophilic alkylating agent, exerting its damage through alkylation of cellular macromolecules (e.g., DNA, proteins and intense activation of pro-inflammatory pathways. Currently approved antidotes against OPs include the peripheral anticholinergic drug atropine and an oxime that reactivates the inhibited cholinesterase. Benzodiazepines are used to stop organophosphate-induced seizures. Despite these approved drugs, efforts have been made to introduce other medical countermeasures in order to attenuate both the short-term and long-term clinical effects following exposure. Currently, there is no antidote against sulfur mustard poisoning. Intravenous lipid emulsions are used as a source of calories in parenteral nutrition. In recent years, efficacy of lipid emulsions has been shown in the treatment of poisoning by fat-soluble compounds in animal models as well as clinically in humans. In this review we discuss the usefulness of intravenous lipid emulsions as an adjunct to the in-hospital treatment of chemical warfare agent poisoning.

  6. Ultra-Fast Degradation of Chemical Warfare Agents Using MOF-Nanofiber Kebabs.

    Science.gov (United States)

    Zhao, Junjie; Lee, Dennis T; Yaga, Robert W; Hall, Morgan G; Barton, Heather F; Woodward, Ian R; Oldham, Christopher J; Walls, Howard J; Peterson, Gregory W; Parsons, Gregory N

    2016-10-10

    The threat associated with chemical warfare agents (CWAs) motivates the development of new materials to provide enhanced protection with a reduced burden. Metal-organic frame-works (MOFs) have recently been shown as highly effective catalysts for detoxifying CWAs, but challenges still remain for integrating MOFs into functional filter media and/or protective garments. Herein, we report a series of MOF-nanofiber kebab structures for fast degradation of CWAs. We found TiO2 coatings deposited via atomic layer deposition (ALD) onto polyamide-6 nanofibers enable the formation of conformal Zr-based MOF thin films including UiO-66, UiO-66-NH2 , and UiO-67. Cross-sectional TEM images show that these MOF crystals nucleate and grow directly on and around the nanofibers, with strong attachment to the substrates. These MOF-functionalized nanofibers exhibit excellent reactivity for detoxifying CWAs. The half-lives of a CWA simulant compound and nerve agent soman (GD) are as short as 7.3 min and 2.3 min, respectively. These results therefore provide the earliest report of MOF-nanofiber textile composites capable of ultra-fast degradation of CWAs.

  7. Decontamination of Chemical/Biological Warfare (CBW) Agents Using an Atmospheric Pressure Plasma Jet (APPJ)

    Science.gov (United States)

    Herrmann, Hans W.

    1998-11-01

    The atmospheric pressure plasma jet (APPJ) is a non-thermal, high pressure, uniform glow discharge that produces a high velocity effluent stream of highly reactive chemical species. The discharge operates on a feedstock gas (e.g. He/O_2/H_2O) which flows between an outer, grounded, cylindrical electrode and an inner, coaxial electrode powered at 13.56 MHz RF. While passing through the plasma, the feedgas becomes excited, dissociated or ionized by electron impact. Once the gas exits the discharge volume, ions and electrons are rapidly lost by recombination, but the fast-flowing effluent still contains metastables (e.g. O2*, He*) and radicals (e.g. O, OH). These reactive species have been shown to be effective neutralizers of surrogates for anthrax spores, mustard blister agent and VX nerve gas. Unlike conventional, wet decontamination methods, the plasma effluent does not cause corrosion of most surfaces and does not damage wiring, electronics, nor most plastics. This makes it highly suitable for decontamination of high value sensitive equipment such as is found in vehicle interiors (i.e. tanks, planes...) for which there is currently no good decontamination technique. Furthermore, the reactive species rapidly degrade into harmless products leaving no lingering residue or harmful byproducts. Physics of the APPJ will be discussed and results of surface decontamination experiments using simulant and actual CBW agents will be presented.

  8. Investigation of chemical bath deposition of CdO thin films using three different complexing agents

    Energy Technology Data Exchange (ETDEWEB)

    Khallaf, Hani [Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Chen, Chia-Ta; Chang, Liann-Be [Graduate Institute of Electro-Optical Engineering, Chang Gung University, Kweishan, Taoyuan 333, Taiwan (China); Green Technology Research Center, Chang Gung University, Kweishan, Taoyuan 333, Taiwan (China); Lupan, Oleg [Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Department of Microelectronics and Semiconductor Devices, Technical University of Moldova, 168 Stefan cel Mare Boulevard, MD-2004 Chisinau, Republic of Moldova (Moldova, Republic of); Dutta, Aniruddha; Heinrich, Helge [Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Advanced Materials Processing and Analysis Centre, Department of Mechanical, Materials, and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States); Shenouda, A. [Central Metallurgical R and D Institute (CMRDI), Tebbin, P.O. Box 87, Helwan (Egypt); Chow, Lee, E-mail: Lee.Chow@ucf.edu [Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Advanced Materials Processing and Analysis Centre, Department of Mechanical, Materials, and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States)

    2011-09-01

    Chemical bath deposition of CdO thin films using three different complexing agents, namely ammonia, ethanolamine, and methylamine is investigated. CdSO{sub 4} is used as Cd precursor, while H{sub 2}O{sub 2} is used as an oxidation agent. As-grown films are mainly cubic CdO{sub 2}, with some Cd(OH){sub 2} as well as CdO phases being detected. Annealing at 400 deg. C in air for 1 h transforms films into cubic CdO. The calculated optical band gap of as-grown films is in the range of 3.37-4.64 eV. Annealed films have a band gap of about 2.53 eV. Rutherford backscattering spectroscopy of as-grown films reveals cadmium to oxygen ratio of 1.00:1.74 {+-} 0.01 while much better stoichiometry is obtained after annealing, in accordance with the X-ray diffraction results. A carrier density as high as 1.89 x 10{sup 20} cm{sup -3} and a resistivity as low as 1.04 x 10{sup -2} {Omega}-cm are obtained.

  9. Application of superconducting technologies as chemical/biological agent electronic eyes

    Science.gov (United States)

    Savoy, Steven M.; Eames, Sara J.; Jurbergs, David C.; Zhao, Jianai; McDevitt, John T.; Sobel, Annette L.

    1997-01-01

    High temperature superconductors provide enhanced sensitivity capabilities as chemical/biological agent detectors. State-of-the-art advances in ruggedizing superconducting platforms make them much more robust for field applications. In addition, microminiaturization and advances in refrigeration have enabled the systems engineering of portable, durable, survivable, low power requirement devices. This presentation describes a prototype system employing YBCO (yttrium barium copper oxide) superconducting quantum interference devices (SQUIDS) with specific biolayer detection dye coatings. These devices may be deployed as specific stand-off detectors, or potentially reconfigured as point sensors. A library of pattern recognition algorithms provides the reference template for the system. The human-system interface will provide a 'yes/no' agent confirmation for the environment being queried, and associated confidence value. This prototype detection system has great potential for deployment in support of hostage rescue/rapid response teams, DMAT, and urban search and rescue. The preparation and characterization of a new generation of optical sensors fabricated from high-temperature superconductor (HTSC) thin films is reported herein. These new hybrid devices are fashioned using HTSC thin films which are coated with organic dye overlayers. These systems are shown to respond selectively to those wavelengths which are absorbed strongly by the molecular dye. Methods for fabricating the superconductor element and depositing the dye layer are discussed. Moreover, resistivity versus temperature measurements before and after dye deposition are utilized to characterize these hybrid structures. The unique optical response properties of these hybrid sensors are also detailed.

  10. Effect of activation agents on the surface chemical properties and desulphurization performance of activated carbon

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Flue gas pollution is a serious environmental problem that needs to be solved for the sustainable development of China.The surface chemical properties of carbon have great influence on its desulphurization performance.A series of activated carbons (ACs) were prepared using HNO3,H2O2,NH3·H2O and steam as activation agents with the aim to introduce functional groups to carbon surface in the ACs preparation process.The ACs were physically and chemically characterized by iodine and SO2 adsorption,ultimate analysis,Boehm titration,and temperature-programmed reduction (TPR).Results showed that the iodine number and desulphurization capacity of NH3·H2O activated carbon (AC-NH3) increase with both activation time,and its desulphurization capacity also increases with the concentration of activation agent.However,HNO3 activated carbon (AC-HNO3) and H2O2 activated carbon (AC-H2O2) exhibit more complex behavior.Only their iodine numbers increase monotonously with activation time.Compared with steam activated AC (AC-H2O),the nitrogen content increases 0.232% in AC-NH3 and 0.077% in AC-HNO3.The amount of total basic site on AC-HNO3 is 0.19 mmol·g-1 higher than that on AC-H2O.H2O2 activation introduces an additional 0.08 mmol·g-1 carboxyl groups to AC surface than that introduced by steam activation.The desulphurization capacity of ACs in simulate flue gas desulphurization decreases as follows: AC-NH3 > AC-HNO3 > AC-H2O2 > AC-H2O.This sequence is in accord with the SO2 catalytic oxidation/oxidation ratio in the absence of oxygen and the oxidation property reflected by TPR.In the presence of oxygen,all adsorbed SO2 on ACs can be oxidized into SO3.The desulphurization capacity increases differently according to the activation agents;the desulphurization capacity of AC-NH3 and AC-HNO3 improves by 4.8 times,yet AC-H2O increases only by 2.62 as compared with the desulphurization of corresponding ACs in absence of oxygen.

  11. Crystal structures of Two Potential Tumor Imaging Agents and Therapeutic Agents-Copper(II)Ternary Complexes With Salicylidene-tyrosinato Schiff Base and Nitrogen-donor Chelating Lewis Base

    Institute of Scientific and Technical Information of China (English)

    Ming Zhao WANG; Guan Liang CAI; Ling XIA; Jun Jian YAO; Hong Yan CHEN; Zhao Xing MENG; Bo Li LIU

    2004-01-01

    The crystal structures of two potential tumor imaging agents and therapeutic agents -copper(II) complexes with salicylidene-tyrosinato Schiff base and nitrogen-donor chelating Lewis base,[Cu(sal-tyr)(bipy)] 1 and [Cu(sal-tyr)(phen)]·2CH3OH 2, are presented. Our work is helpful to get deep understanding of novel 64Cu tumor imaging agents and therapeutic agents.

  12. Benzotriazole as a passivating agent during chemical mechanical planarization of Ni–P alloy substrates

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Yan; Zhong, Mingjie; Rushing, Kenneth J.; Li, Yuzhuo; Shipp, Devon A., E-mail: dshipp@clarkson.edu

    2014-10-01

    Highlights: • Benzotriazole (BTA) is used to passivate the Chemical Mechanical Planarization of Ni-P alloys. • BTA significantly decreases the average R{sub a} of the polished surfaces at low concentrations. • XPS, AFM and electrochemical studies are used to probe passivation effects of BTA on Ni–P surfaces. • Findings potentially impact hard disk drive manufacturing processes. - Abstract: With the rapid increase of data storage density on computer hard disk drives (HDDs), the operation distance between read/write head and disk surface has fallen to just a few nanometers. Chemical mechanical planarization (CMP) has been selected as the best process to produce high quality surface finish during the manufacturing of Ni–P alloy substrates for HDD applications. Herein we report, for the first time, the use of benzotriazole (BTA) as a passivating agent in CMP slurries to decrease the surface roughness (R{sub a}). Results show that the average R{sub a} of the polished surfaces is decreased to 0.2 nm in a 5 μm × 5 μm scan area with the adding of 2 mM BTA. X-ray photoelectron spectroscopy (XPS) and electrochemical studies results further prove the interaction between BTA and Ni–P surface and the formation of an effective passivating layer on Cu in CMP slurries containing BTA.

  13. Saffron as an antidote or a protective agent against natural or chemical toxicities.

    Science.gov (United States)

    Razavi, Bibi Marjan; Hosseinzadeh, Hossein

    2015-05-01

    Saffron (Crocus sativus) is an extensively used food additive for its color and taste. Since ancient times this plant has been introduced as a marvelous medicine throughout the world. The wide spectrum of saffron pharmacological activities is related to its major constituents including crocin, crocetin and safranal. Based on several studies, saffron and its active ingredients have been used as an antioxidant, antiinflammatory and antinociceptive, antidepressant, antitussive, anticonvulsant, memory enhancer, hypotensive and anticancer. According to the literatures, saffron has remarkable therapeutic effects. The protective effects of saffron and its main constituents in different tissues including brain, heart, liver, kidney and lung have been reported against some toxic materials either natural or chemical toxins in animal studies.In this review article, we have summarized different in vitro and animal studies in scientific databases which investigate the antidotal and protective effects of saffron and its major components against natural toxins and chemical-induced toxicities. Due to the lake of human studies, further investigations are required to ascertain the efficacy of saffron as an antidote or a protective agent in human intoxication.

  14. Plastic antibody for the recognition of chemical warfare agent sulphur mustard.

    Science.gov (United States)

    Boopathi, M; Suryanarayana, M V S; Nigam, Anil Kumar; Pandey, Pratibha; Ganesan, K; Singh, Beer; Sekhar, K

    2006-06-15

    Molecularly imprinted polymers (MIPs) known as plastic antibodies (PAs) represent a new class of materials possessing high selectivity and affinity for the target molecule. Since their discovery, PAs have attracted considerable interest from bio- and chemical laboratories to pharmaceutical institutes. PAs are becoming an important class of synthetic materials mimicking molecular recognition by natural receptors. In addition, they have been utilized as catalysts, sorbents for solid-phase extraction, stationary phase for liquid chromatography and mimics of enzymes. In this paper, first time we report the preparation and characterization of a PA for the recognition of blistering chemical warfare agent sulphur mustard (SM). The SM imprinted PA exhibited more surface area when compared to the control non-imprinted polymer (NIP). In addition, SEM image showed an ordered nano-pattern for the PA of SM that is entirely different from the image of NIP. The imprinting also enhanced SM rebinding ability to the PA when compared to the NIP with an imprinting efficiency (alpha) of 1.3.

  15. Modified clay minerals efficiency against chemical and biological warfare agents for civil human protection.

    Science.gov (United States)

    Plachá, Daniela; Rosenbergová, Kateřina; Slabotínský, Jiří; Kutláková, Kateřina Mamulová; Studentová, Soňa; Martynková, Gražyna Simha

    2014-04-30

    Sorption efficiencies of modified montmorillonite and vermiculite of their mono ionic Na and organic HDTMA and HDP forms were studied against chemical and biological warfare agents such as yperite and selected bacterial strains. Yperite interactions with modified clay minerals were observed through its capture in low-density polyethylene foil-modified clay composites by measuring yperite gas permeation with using chemical indication and gas chromatography methods. The antibacterial activities of synthetized organoclays were tested against selected Gram-positive and Gram-negative bacterial species in minimum inhibitory concentration tests. The obtained results showed a positive influence of modified clay minerals on the significant yperite breakthrough-time increase. The most effective material was the polyethylene-Na form montmorillonite, while the polyethylene-Na form vermiculite showed the lowest efficiency. With increasing organic cations loading in the interlayer space the montmorillonite efficiency decreased, and in the case of vermiculite an opposite effect was observed. Generally the modified montmorillonites were more effective than modified vermiculites. The HDP cations seem to be more effective compare to the HDTMA. The antibacterial activity tests confirmed efficiency of all organically modified clay minerals against Gram-positive bacteria. The confirmation of antibacterial activity against Y. pestis, plague bacteria, is the most interesting result of this part of the study.

  16. Quantum Chemical Studies on the Prediction of Structures, Charge Distributions and Vibrational Spectra of Some Ni(II), Zn(II), and Cd(II) Iodide Complexes

    Science.gov (United States)

    Bardakci, Tayyibe; Kumru, Mustafa; Altun, Ahmet

    2016-06-01

    Transition metal complexes play an important role in coordination chemistry as well as in the formation of metal-based drugs. In order to obtain accurate results for studying these type of complexes quantum chemical studies are performed and especially density functional theory (DFT) has become a promising choice. This talk represents molecular structures, charge distributions and vibrational analysis of Ni(II), Zn(II), and Cd(II) iodide complexes of p-toluidine and m-toluidine by means of DFT. Stable structures of the ligands and the related complexes have been obtained in the gas phase at B3LYP/def2-TZVP level and calculations predict Ni(II) complexes as distorted polymeric octahedral whereas Zn(II) and Cd(II) complexes as distorted tetrahedral geometries. Charge distribution analysis have been performed by means of Mulliken, NBO and APT methods and physically most meaningful method for our compounds is explained. Vibrational spectra of the title compounds are computed from the optimized geometries and theoretical frequencies are compared with the previously obtained experimental data. Since coordination occurs via nitrogen atoms of the free ligands, N-H stretching bands of the ligands are shifted towards lower wavenumbers in the complexes whereas NH_2 wagging and twisting vibrations are shifted towards higher wavenumbers.

  17. Preparation and characteristics of chemical bath deposited ZnS thin films: Effects of different complexing agents

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Seung Wook [Department of Materials Science and Engineering, KAIST, Daejeon 305-701 (Korea, Republic of); Agawane, G.L.; Gang, Myeng Gil [Photonics Technology Research Institute, Department of Materials Science Engineering, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Moholkar, A.V. [Department of Physics, Shivaji University, Kolhapur 416-004 (India); Moon, Jong-Ha [Photonics Technology Research Institute, Department of Materials Science Engineering, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Kim, Jin Hyeok, E-mail: jinhyeok@chonnam.ac.kr [Photonics Technology Research Institute, Department of Materials Science Engineering, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Lee, Jeong Yong, E-mail: j.y.lee@kaist.ac.kr [Department of Materials Science and Engineering, KAIST, Daejeon 305-701 (Korea, Republic of)

    2012-06-15

    Highlights: Black-Right-Pointing-Pointer Thick ZnS thin films were successfully prepared by chemical bath deposition in a basic medium using less toxic complexing agents. Black-Right-Pointing-Pointer Effect of different complexing agents such as no complexing agent, Na{sub 3}-citrate and a mixture of Na{sub 3}-citrate and EDTA on the properties of ZnS thin films was investigated. Black-Right-Pointing-Pointer ZnS thin film deposited using two complexing agent showed the outstanding characteristics as compared to those using no and one complexing agent. - Abstract: Zinc sulfide (ZnS) thin films were prepared on glass substrates by a chemical bath deposition technique using aqueous zinc acetate and thiourea solutions in a basic medium (pH {approx} 10) at 80 Degree-Sign C. The effects of different complexing agents, such as a non-complexing agent, Na{sub 3}-citrate, and a mixture of Na{sub 3}-citrate and ethylenediamine tetra-acetate (EDTA), on the structural, chemical, morphological, optical, and electrical properties of ZnS thin films were investigated. X-ray diffraction pattern showed that the ZnS thin film deposited without any complexing agent was grown on an amorphous phase. However, the ZnS thin films deposited with one or two complexing agents showed a polycrystalline hexagonal structure. No secondary phase (ZnO) was observed. X-ray photoelectron spectroscopy showed that all ZnS thin films exhibited both Zn-S and Zn-OH bindings. Field emission scanning electron microscopy (FE-SEM) images showed that ZnS thin films deposited with complexing agents had thicker thicknesses than that deposited without a complexing agent. The electrical resistivity of ZnS thin films was over 10{sup 5} {Omega} cm regardless of complexing agents. The average transmittance of the ZnS thin films deposited without a complexing agent, those with Na{sub 3}-citrate, and those with a mixture of Na{sub 3}-citrate and EDTA was approximately 85%, 65%, and 70%, respectively, while the band gap

  18. Biotechnology for producing fuels and chemicals from biomass. Volume II. Fermentation chemicals from biomass

    Energy Technology Data Exchange (ETDEWEB)

    Villet, R. (ed.)

    1981-02-01

    The technological and economic feasibility of producing some selected chemicals by fermentation is discussed: acetone, butanol, acetic acid, citric acid, 2,3-butanediol, and propionic acid. The demand for acetone and butanol has grown considerably. They have not been produced fermentatively for three decades, but instead by the oxo and aldol processes. Improved cost of fermentative production will hinge on improving yields and using cellulosic feedstocks. The market for acetic acid is likely to grow 5% to 7%/yr. A potential process for production is the fermentation of hydrolyzed cellulosic material to ethanol followed by chemical conversion to acetic acid. For about 50 years fermentation has been the chief process for citric acid production. The feedstock cost is 15% to 20% of the overall cost of production. The anticipated 5%/yr growth in demand for citric acid could be enhanced by using it to displace phosphates in detergent manufacture. A number of useful chemicals can be derived from 2,3-butanediol, which has not been produced commercially on a large scale. R and D are needed to establish a viable commercial process. The commercial fermentative production of propionic acid has not yet been developed. Recovery and purification of the product require considerable improvement. Other chemicals such as lactic acid, isopropanol, maleic anhydride, fumarate, and glycerol merit evaluation for commercial fermentative production in the near future.

  19. Selection of Chelated Fe (III)/Fe (II) Catalytic Oxidation Agents for Desulfurization Based on Iron Complexation Method

    Institute of Scientific and Technical Information of China (English)

    Luo Ying; Liu Youzhi; Qi Guisheng; Guo Huidong; Zhu Zhengfeng

    2014-01-01

    Optimization of factors inlfuencing the experiments on reactions involving 8 different chelating agents and sol-uble Fe (III)/Fe (II) salts was carried out to yield chelated iron complexes. A combination of optimized inlfuencing factors has resulted in a Fe chelating capacity of the iron-based desulfurization solution to be equal to 6.83-13.56 g/L at a redox potential of 0.185-0.3. The desulfurization performance of Fe (III)/Fe (II) chelating agents was investigated on a simulated sulfur-containing industrial gas composed of H2S and N2 in a cross-lfow rotating packed bed. Test results have revealed that the proposed iron-based desulfurization solution showed a sulfur removal efifciency of over 99%along with a Fe chelating capacity exceeding 1.35 g/L. This desulfurization technology which has practical application prospect is currently in the phase of commercial scale-up study.

  20. A decontamination system for chemical weapons agents using a liquid solution on a solid sorbent

    Energy Technology Data Exchange (ETDEWEB)

    Waysbort, Daniel [Israel Institute for Biological Research, PO Box 19, Ness-Ziona 74100 (Israel); McGarvey, David J. [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)], E-mail: david.mcgarvey@us.army.mil; Creasy, William R.; Morrissey, Kevin M.; Hendrickson, David M. [SAIC, P.O. Box 68, Gunpowder Branch, Aberdeen Proving Ground, MD 21010 (United States); Durst, H. Dupont [R and T Directorate, Edgewood Chemical and Biological Center (ECBC), Aberdeen Proving Ground-Edgewood Area, MD 21010 (United States)

    2009-01-30

    A decontamination system for chemical warfare agents was developed and tested that combines a liquid decontamination reagent solution with solid sorbent particles. The components have fewer safety and environmental concerns than traditional chlorine bleach-based products or highly caustic solutions. The liquid solution, based on Decon Green{sup TM}, has hydrogen peroxide and a carbonate buffer as active ingredients. The best solid sorbents were found to be a copolymer of ethylene glycol dimethacrylate and n-lauryl methacrylate (Polytrap 6603 Adsorber); or an allyl methacrylate cross-linked polymer (Poly-Pore E200 Adsorber). These solids are human and environmentally friendly and are commonly used in cosmetics. The decontaminant system was tested for reactivity with pinacolyl methylphosphonofluoridate (Soman, GD), bis(2-chloroethyl)sulfide (Mustard, HD), and S-(2-diisopropylaminoethyl) O-ethyl methylphosphonothioate (VX) by using NMR Spectroscopy. Molybdate ion (MoO{sub 4}{sup -2}) was added to the decontaminant to catalyze the oxidation of HD. The molybdate ion provided a color change from pink to white when the oxidizing capacity of the system was exhausted. The decontaminant was effective for ratios of agent to decontaminant of up to 1:50 for VX (t{sub 1/2} {<=} 4 min), 1:10 for HD (t{sub 1/2} < 2 min with molybdate), and 1:10 for GD (t{sub 1/2} < 2 min). The vapor concentrations of GD above the dry sorbent and the sorbent with decontamination solution were measured to show that the sorbent decreased the vapor concentration of GD. The E200 sorbent had the additional advantage of absorbing aqueous decontamination solution without the addition of an organic co-solvent such as isopropanol, but the rate depended strongly on mixing for HD.

  1. Reações tegumentares adversas relacionadas aos agentes antineoplásicos: parte II Adverse mucocutaneous reactions related to chemotherapeutic agents: part II

    Directory of Open Access Journals (Sweden)

    Paulo Ricardo Criado

    2010-10-01

    Full Text Available Os eventos e reações envolvendo quimioterapia são frequentes na prática oncológica. Agentes quimioterápicos são uma modalidade de tratamento amplamente utilizada. Efeitos colaterais podem variar de frequência e também ser confundidos com outras manifestações tegumentares do tratamento oncológico. Este artigo objetiva expor as informações sobre reações cutâneas à quimioterapia, em especial, aqueles para os quais o dermatologista é requisitado a emitir parecer e a comentar sobre a segurança e a viabilidade da readministração de uma droga específica. Os autores descrevem os aspectos associados a esses eventos, fazendo uma análise detalhada de cada um deles.Events and reactions involving chemotherapy are common in clinical oncology. Chemotherapeutic agents are widely used in therapy. Side effects range from the common to the rare and may be confused with other mucocutaneous manifestations resulting from the oncological treatment. The objective of this paper was to present data on skin reactions to chemotherapy, particularly those cases in which the dermatologist is requested to issue a report and asked to comment on the safety and viability of readministration of a specific drug. The authors describe aspects associated with these events, presenting a detailed analysis of each one of them.

  2. Research on the Interaction of Hydrogen-Bond Acidic Polymer Sensitive Sensor Materials with Chemical Warfare Agents Simulants by Inverse Gas Chromatography

    OpenAIRE

    Liu Yang; Qiang Han; Shuya Cao; Feng Huang; Molin Qin; Chenghai Guo; Mingyu Ding

    2015-01-01

    Hydrogen-bond acidic polymers are important high affinity materials sensitive to organophosphates in the chemical warfare agent sensor detection process. Interactions between the sensor sensitive materials and chemical warfare agent simulants were studied by inverse gas chromatography. Hydrogen bonded acidic polymers, i.e., BSP3, were prepared for micro-packed columns to examine the interaction. DMMP (a nerve gas simulant) and 2-CEES (a blister agent simulant) were used as probes. Chemical an...

  3. Report of National Cancer Institute symposium: comparison of mechanisms of carcinogenesis by radiation and chemical agents. I. Common molecular mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Borg, D.C.

    1984-01-01

    Some aspects of molecular mechanisms common to radiation and chemical carcinogenesis are discussed, particularly the DNA damage done by these agents. Emphasis is placed on epidemiological considerations and on dose-response models used in risk assessment to extrapolate from experimental data obtained at high doses to the effects from long-term, low-level exposures. 3 references, 6 figures. (ACR)

  4. Ni(II immobilization by bio-apatite materials: Appraisal of chemical, thermal and combined treatments

    Directory of Open Access Journals (Sweden)

    Šljivić-Ivanović Marija

    2016-01-01

    Full Text Available Animal bones are natural and rich source of calcium hydroxyapatite (HAP, which was found to be a good sorbent material for heavy metals and radionuclides. Various treatments can reduce the content of bone organic phase and improve sorption properties. In this study, sorption capacities of raw bovine bones (B and samples obtained by chemical treatment with NaOH (BNaOH, by heating at 400 oC (B400 and by combined chemical and thermal treatment (BNaOH+400, were compared, using Ni(II ions as sorbates. Maximum sorption capacities increased in the order BII sorption was found to be complex, with participation of both HAP and organic phase (when present. Sequential extraction analysis was applied for testing the stability of Ni(II ions sorbed by BNaOH+400. Majority of Ni(II was found in residual phase (65% at lower level of sorbent loading, while with the increase of sorbent saturation carbonate fraction became dominant (39 %. According to the results, BNaOH+400 can be utilized in water purification systems. As an apatite based material with low organic content and high efficiency for Ni(II sorption, it is also a good candidate for in-situ soil remediation, particularly at lower contamination levels. [Projekat Ministarstva nauke Republike Srbije, br. III 43009

  5. In vivo phase II-enzymes inducers, as potential chemopreventive agents, based on the chalcone and furoxan skeletons.

    Science.gov (United States)

    Cabrera, Mauricio; Mastandrea, Ignacio; Otero, Gabriel; Cerecetto, Hugo; González, Mercedes

    2016-04-15

    Cancer chemoprevention involves prevention/delay/reverse of the carcinogenic process through administration of cancer chemopreventive agents (CCA). Compounds which are able to induce detoxification-enzymes, especially monofunctional phase II enzymes, have become in excellent approaches for new CCA. Herein, we report the synthesis of new furoxanyl chalcone-like hybrid compounds as CCA. In vitro studies showed that phenylfuroxanyl derivatives 6 and 9 displayed the best activities being 9 the greatest monofunctional-inducer. Additionally, compounds were non-mutagenic against TA98 Salmonella typhimurium strain (Ames test) and could be used in the prevention of the progression of pre-malignant lesions for their cytotoxic activity against tumoral cells. In vivo proof of concept showed increment on phase II-enzymes activities in liver, colon and mammary gland having derivative 9 the best induction profiles. We probed Nrf2 nuclear translocation is operative for both compounds allowing to exert protective effects via expression of downstream phase-II enzymes.

  6. Used tire recycling to produce granulates: evaluation of occupational exposure to chemical agents.

    Science.gov (United States)

    Savary, Barbara; Vincent, Raymond

    2011-10-01

    Exposure was assessed in four facilities where used tires are turned into rubber granulates. Particulate exposure levels were measured using filter samples and gravimetric analysis. In parallel, volatile organic compounds (VOCs) screening was carried out using samples taken on activated carbon supports, followed by an analysis using a gas chromatograph coupled to a spectrometric detector. The exposure level medians are between 0.58 and 3.95 mg m(-3). Clogging of the textile fiber separation systems can lead to worker exposure; in this case, the measured concentrations can reach 41 mg m(-3). However, in contrast to the data in the literature, VOC levels >1 p.p.m. were not detected. The particulate mixtures deposited on the installation surfaces are complex; some of the chemical agents are toxic to humans. The results of this study indicate significant exposure to complex mixtures of rubber dust. Optimizing exhaust ventilation systems inside the shredders, with a cyclone for example, is essential for reducing the exposure of workers in this rapidly developing sector.

  7. Abnormal development of tapetum and microspores induced by chemical hybridization agent SQ-1 in wheat.

    Science.gov (United States)

    Wang, Shuping; Zhang, Gaisheng; Song, Qilu; Zhang, Yingxin; Li, Zheng; Guo, Jialin; Niu, Na; Ma, Shoucai; Wang, Junwei

    2015-01-01

    Chemical hybridization agent (CHA)-induced male sterility is an important tool in crop heterosis. To demonstrate that CHA-SQ-1-induced male sterility is associated with abnormal tapetal and microspore development, the cytology of CHA-SQ-1-treated plant anthers at various developmental stages was studied by light microscopy, scanning and transmission electron microscopy, in situ terminal deoxynucleotidyl transferasemediated dUTP nick end-labelling (TUNEL) assay and DAPI staining. The results indicated that the SQ-1-treated plants underwent premature tapetal programmed cell death (PCD), which was initiated at the early-uninucleate stage of microspore development and continued until the tapetal cells were completely degraded; the process of microspore development was then blocked. Microspores with low-viability (fluorescein diacetate staining) were aborted. The study suggests that premature tapetal PCD is the main cause of pollen abortion. Furthermore, it determines the starting period and a key factor in CHA-SQ-1-induced male sterility at the cell level, and provides cytological evidence to further study the mechanism between PCD and male sterility.

  8. Measurements of Raman scattering in the middle ultraviolet band from persistent chemical warfare agents

    Science.gov (United States)

    Kullander, Fredrik; Landström, Lars; Lundén, Hampus; Mohammed, Abdesalam; Olofsson, Göran; Wästerby, Pär.

    2014-05-01

    The very low Raman scattering cross section and the fluorescence background limit the measuring range of Raman based instruments operating in the visible or infrared band. We are exploring if laser excitation in the middle ultraviolet (UV) band between 200 and 300 nm is useful and advantageous for detection of persistent chemical warfare agents (CWA) on various kinds of surfaces. The UV Raman scattering from tabun, mustard gas, VX and relevant simulants in the form of liquid surface contaminations has been measured using a laboratory experimental setup with a short standoff distance around 1 meter. Droplets having a volume of 1 μl were irradiated with a tunable pulsed laser swept within the middle UV band. A general trend is that the signal strength moves through an optimum when the laser excitation wavelength is swept between 240 and 300 nm. The signal from tabun reaches a maximum around 265 nm, the signal from mustard gas around 275 nm. The Raman signal from VX is comparably weak. Raman imaging by the use of a narrow bandpass UV filter is also demonstrated.

  9. Decomposition kinetics of dimethyl methylphospate(chemical agent simulant) by supercritical water oxidation

    Institute of Scientific and Technical Information of China (English)

    Bambang VERIANSYAH; Jae-Duck KIM; Youn-Woo LEE

    2006-01-01

    Supercritical water oxidation (SCWO) has been drawing much attention due to effectively destroy a large variety of high-risk wastes resulting from munitions demilitarization and complex industrial chemical. An important design consideration in the development of supercritical water oxidation is the information of decomposition rate. In this paper, the decomposition rate of dimethyl methylphosphonate(DMMP), which is similar to the nerve agent VX and GB(Sarin) in its structure, was investigated under SCWO conditions. The experiments were performed in an isothermal tubular reactor with a H2O2 as an oxidant. The reaction temperatures were ranged from 398 to 633 ℃ at a fixed pressure of 24 MPa. The conversion of DMMP was monitored by analyzing total organic carbon (TOC) on the liquid effluent samples. It is found that the oxidative decomposition of DMMP proceeded rapidly and a high TOC decomposition up to 99.99% was obtained within 11 s at 555℃. On the basis of data derived from experiments, a global kinetic equation for the decomposition of DMMP was developed. The model predictions agreed well with the experimental data.

  10. Abnormal development of tapetum and microspores induced by chemical hybridization agent SQ-1 in wheat.

    Directory of Open Access Journals (Sweden)

    Shuping Wang

    Full Text Available Chemical hybridization agent (CHA-induced male sterility is an important tool in crop heterosis. To demonstrate that CHA-SQ-1-induced male sterility is associated with abnormal tapetal and microspore development, the cytology of CHA-SQ-1-treated plant anthers at various developmental stages was studied by light microscopy, scanning and transmission electron microscopy, in situ terminal deoxynucleotidyl transferasemediated dUTP nick end-labelling (TUNEL assay and DAPI staining. The results indicated that the SQ-1-treated plants underwent premature tapetal programmed cell death (PCD, which was initiated at the early-uninucleate stage of microspore development and continued until the tapetal cells were completely degraded; the process of microspore development was then blocked. Microspores with low-viability (fluorescein diacetate staining were aborted. The study suggests that premature tapetal PCD is the main cause of pollen abortion. Furthermore, it determines the starting period and a key factor in CHA-SQ-1-induced male sterility at the cell level, and provides cytological evidence to further study the mechanism between PCD and male sterility.

  11. Chemically modified tetracyclines: Novel therapeutic agents in the management of chronic periodontitis

    Directory of Open Access Journals (Sweden)

    Rupali Agnihotri

    2012-01-01

    Full Text Available Chronic periodontitis is a complex infection initiated by gram-negative bacteria which destroy the supporting structures of the tooth. Recently, it has been recognized that it is the host response to bacterial infection which causes greater destruction of the connective tissue elements, periodontal ligament and alveolar bone in periodontitis. This has led to the development of various host modulating approaches to target cells and their destructive mediators involved in tissue degradation. Chemically modified tetracyclines (CMTs are derivatives of tetracycline group of drugs which lack antimicrobial action but have potent host modulating affects. They inhibit pathologically elevated matrix metal loproteinases, pro-inflammtory cytokines and other destructive mediators. Bone resorption is also suppressed due to their combined anti-proteinase and apoptotic affects on osteoblasts and osteoclasts, respectively. Development of resistant bacteria and gastrointestinal toxicity seen with parent tetracyclines is not produced by CMTs. Hence, CMTs are viewed as potential therapeutic agents in the management of chronic diseases like periodontitis that involve destruction of connective tissue and bone.

  12. Toxicogenomic studies of human neural cells following exposure to organophosphorus chemical warfare nerve agent VX.

    Science.gov (United States)

    Gao, Xiugong; Lin, Hsiuling; Ray, Radharaman; Ray, Prabhati

    2013-05-01

    Organophosphorus (OP) compounds represent an important group of chemical warfare nerve agents that remains a significant and constant military and civilian threat. OP compounds are considered acting primarily via cholinergic pathways by binding irreversibly to acetylcholinesterase, an important regulator of the neurotransmitter acetylcholine. Many studies over the past years have suggested that other mechanisms of OP toxicity exist, which need to be unraveled by a comprehensive and systematic approach such as genome-wide gene expression analysis. Here we performed a microarray study in which cultured human neural cells were exposed to 0.1 or 10 μM of VX for 1 h. Global gene expression changes were analyzed 6, 24, and 72 h post exposure. Functional annotation and pathway analysis of the differentially expressed genes has revealed many genes, networks and canonical pathways that are related to nervous system development and function, or to neurodegenerative diseases such as Alzheimer's disease, Huntington's disease, and Parkinson's disease. In particular, the neuregulin pathway impacted by VX exposure has important implications in many nervous system diseases including schizophrenia. These results provide useful information valuable in developing suitable antidotes for more effective prevention and treatment of, as well as in developing biomarkers for, VX-induced chronic neurotoxicity.

  13. Determination of decimal reduction time (D value of chemical agents used in hospitals for disinfection purposes

    Directory of Open Access Journals (Sweden)

    da S Martins Alzira M

    2003-10-01

    Full Text Available Abstract Background Prior to the selection of disinfectants for low, intermediate and high (sterilizing levels, the decimal reduction time, D-value, for the most common and persistent bacteria identified at a health care facility should be determined. Methods The D-value was determined by inoculating 100 mL of disinfecting solution with 1 mL of a bacterial suspension (104 – 105 CFU/mL for vegetative and spore forms. At regular intervals, 1 mL aliquots of this mixture were transferred to 8 mL of growth media containing a neutralizing agent, and incubated at optimal conditions for the microorganism. Results The highest D-values for various bacteria were determined for the following solutions: (i 0.1% sodium dichloroisocyanurate (pH 7.0 – E. coli and A. calcoaceticus (D = 5.9 min; (ii sodium hypochlorite (pH 7.0 at 0.025% for B. stearothermophilus (D = 24 min, E. coli and E. cloacae (D = 7.5 min; at 0.05% for B. stearothermophilus (D = 9.4 min and E. coli (D = 6.1 min and 0.1% for B. stearothermophilus (D = 3.5 min and B. subtilis (D = 3.2 min; (iii 2.0% glutaraldehyde (pH 7.4 – B. stearothermophilus, B. subtilis (D = 25 min and E. coli (D = 7.1 min; (iv 0.5% formaldehyde (pH 6.5 – B. subtilis (D = 11.8 min, B. stearothermophilus (D = 10.9 min and A. calcoaceticus (D = 5.2 min; (v 2.0% chlorhexidine (pH 6.2 – B. stearothermophilus (D = 9.1 min, and at 0.4% for E. cloacae (D = 8.3 min; (vi 1.0% Minncare® (peracetic acid and hydrogen peroxide, pH 2.3 – B. stearothermophilus (D = 9.1 min and E. coli (D = 6.7 min. Conclusions The suspension studies were an indication of the disinfectant efficacy on a surface. The data in this study reflect the formulations used and may vary from product to product. The expected effectiveness from the studied formulations showed that the tested agents can be recommended for surface disinfection as stated in present guidelines and emphasizes the importance and need to develop routine and novel programs to

  14. Chemical analysis of bleach and hydroxide-based solutions after decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX).

    Science.gov (United States)

    Hopkins, F B; Gravett, M R; Self, A J; Wang, M; Chua, Hoe-Chee; Hoe-Chee, C; Lee, H S Nancy; Sim, N Lee Hoi; Jones, J T A; Timperley, C M; Riches, J R

    2014-08-01

    Detailed chemical analysis of solutions used to decontaminate chemical warfare agents can be used to support verification and forensic attribution. Decontamination solutions are amongst the most difficult matrices for chemical analysis because of their corrosive and potentially emulsion-based nature. Consequently, there are relatively few publications that report their detailed chemical analysis. This paper describes the application of modern analytical techniques to the analysis of decontamination solutions following decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). We confirm the formation of N,N-diisopropylformamide and N,N-diisopropylamine following decontamination of VX with hypochlorite-based solution, whereas they were not detected in extracts of hydroxide-based decontamination solutions by nuclear magnetic resonance (NMR) spectroscopy or gas chromatography-mass spectrometry. We report the electron ionisation and chemical ionisation mass spectroscopic details, retention indices, and NMR spectra of N,N-diisopropylformamide and N,N-diisopropylamine, as well as analytical methods suitable for their analysis and identification in solvent extracts and decontamination residues.

  15. Cyclopentadienyl-ruthenium(II) and iron(II) organometallic compounds with carbohydrate derivative ligands as good colorectal anticancer agents.

    Science.gov (United States)

    Florindo, Pedro R; Pereira, Diane M; Borralho, Pedro M; Rodrigues, Cecília M P; Piedade, M F M; Fernandes, Ana C

    2015-05-28

    New ruthenium(II) and iron(II) organometallic compounds of general formula [(η(5)-C5H5)M(PP)Lc][PF6], bearing carbohydrate derivative ligands (Lc), were prepared and fully characterized and the crystal structures of five of those compounds were determined by X-ray diffraction studies. Cell viability of colon cancer HCT116 cell line was determined for a total of 23 organometallic compounds and SAR's data analysis within this library showed an interesting dependency of the cytotoxic activity on the carbohydrate moiety, linker, phosphane coligands, and metal center. More importantly, two compounds, 14Ru and 18Ru, matched oxaliplatin IC50 (0.45 μM), the standard metallodrug used in CC chemotherapeutics, and our leading compound 14Ru was shown to be significantly more cytotoxic than oxaliplatin to HCT116 cells, triggering higher levels of caspase-3 and -7 activity and apoptosis in a dose-dependent manner.

  16. Chemical-garden formation, morphology, and composition. II. Chemical gardens in microgravity.

    Science.gov (United States)

    Cartwright, Julyan H E; Escribano, Bruno; Sainz-Díaz, C Ignacio; Stodieck, Louis S

    2011-04-05

    We studied the growth of metal-ion silicate chemical gardens under Earth gravity (1 g) and microgravity (μg) conditions. Identical sets of reaction chambers from an automated system (the Silicate Garden Habitat or SGHab) were used in both cases. The μg experiment was performed on board the International Space Station (ISS) within a temperature-controlled setup that provided still and video images of the experiment downlinked to the ground. Calcium chloride, manganese chloride, cobalt chloride, and nickel sulfate were used as seed salts in sodium silicate solutions of several concentrations. The formation and growth of osmotic envelopes and microtubes was much slower under μg conditions. In 1 g, buoyancy forces caused tubes to grow upward, whereas a random orientation for tube growth was found under μg conditions.

  17. Inhibition of Aβ42 peptide aggregation by a binuclear ruthenium(II)-platinum(II) complex: Potential for multi-metal organometallics as anti-amyloid agents.

    Science.gov (United States)

    Kumar, Amit; Moody, Lamaryet; Olaivar, Jason F; Lewis, Nerissa A; Khade, Rahul L; Holder, Alvin A; Zhang, Yong; Rangachari, Vijayaraghavan

    2010-08-23

    Design of inhibitors for amyloid-β (Aβ) peptide aggregation has been widely investigated over the years towards developing viable therapeutic agents for Alzheimer's disease (AD). The biggest challenge seems to be inhibiting Aβ aggregation at the early stages of aggregation possibly at the monomeric level, as oligomers are known to be neurotoxic. In this regard, exploiting the metal chelating property of Aβ to generate molecules that can overcome this impediment presents some promise. Recently, one such metal complex containing Pt(II) ([Pt(BPS)Cl(2)]) was reported to effectively inhibit Aβ42 aggregation and toxicity (1). This complex was able bind to Aβ42 at the N-terminal part of the peptide and triggered a conformational change resulting in effective inhibition. In the current report, we have generated a mixed-binuclear metal complex containing Pt(II) and Ru(II) that inhibited Aβ42 aggregation at an early stage of aggregation and seemed to have different modes of interaction than the previously reported Pt(II) complex, suggesting an important role of the second metal center. This 'proof-of-concept' compound will help in developing more effective molecules against Aβ aggregation by modifying the two metal centers as well as their ligands, which will open doors to new rationale for Aβ inhibition.

  18. Multifunctional ultra-high vacuum apparatus for studies of the interactions of chemical warfare agents on complex surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wilmsmeyer, Amanda R.; Morris, John R. [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061 (United States); Gordon, Wesley O.; Mantooth, Brent A.; Lalain, Teri A. [Research and Technology Directorate, U.S. Army Edgewood Chemical Biological Center, Aberdeen Proving Ground, Maryland 21010 (United States); Davis, Erin Durke [OptiMetrics, Inc., Abingdon, Maryland 21009 (United States)

    2014-01-15

    A fundamental understanding of the surface chemistry of chemical warfare agents is needed to fully predict the interaction of these toxic molecules with militarily relevant materials, catalysts, and environmental surfaces. For example, rules for predicting the surface chemistry of agents can be applied to the creation of next generation decontaminants, reactive coatings, and protective materials for the warfighter. Here, we describe a multifunctional ultra-high vacuum instrument for conducting comprehensive studies of the adsorption, desorption, and surface chemistry of chemical warfare agents on model and militarily relevant surfaces. The system applies reflection-absorption infrared spectroscopy, x-ray photoelectron spectroscopy, and mass spectrometry to study adsorption and surface reactions of chemical warfare agents. Several novel components have been developed to address the unique safety and sample exposure challenges that accompany the research of these toxic, often very low vapor pressure, compounds. While results of vacuum-based surface science techniques may not necessarily translate directly to environmental processes, learning about the fundamental chemistry will begin to inform scientists about the critical aspects that impact real-world applications.

  19. Disposal of chemical agents and munitions stored at Pine Bluff Arsenal, Pine Bluff, Arkansas. Final phase 1, Environmental report

    Energy Technology Data Exchange (ETDEWEB)

    Ensminger, J.T.; Hillsman, E.L.; Johnson, R.D.; Morrisey, J.A.; Staub, W.P.; Boston, C.R.; Hunsaker, D.B.; Leibsch, E.; Rickert, L.W.; Tolbert, V.R.; Zimmerman, G.P.

    1991-09-01

    The Pine Bluff Arsenal (PBA) near Pine Bluff, Arkansas, is one of eight continental United States (CONUS) Army installations where lethal unitary chemical agents and munitions are stored and where destruction of agents and munitions is proposed under the Chemical Stockpile Disposal Program (CSDP). The chemical agent inventory at PBA consists of approximately 12%, by weight, of the total US stockpile. The destruction of the stockpile is necessary to eliminate the risk to the public from continued storage and to dispose of obsolete and leaking munitions. In 1988 the US Army issued a Final Programmatic Environmental Impact Statement (FPEIS) for the CSDP that identified on-site disposal of agents and munitions as the environmentally preferred alternative (i.e., the alternative with the least potential to cause significant adverse impacts). The purpose of this report is to examine the proposed implementation of on-site disposal at PBA in light of more recent and more detailed data than those on which the FPEIS is based. New population data were used to compute fatalities using the same computation methods and values for all other parameters as in the FPEIS. Results indicate that all alternatives are indistinguishable when the potential health impacts to the PBA community are considered. However, risks from on-site disposal are in all cases equal to or less than risks from other alternatives. Furthermore, no unique resources with the potential to prevent or delay implementation of on-site disposal at PBA have been identified.

  20. Reducing Mortality from Terrorist Releases of Chemical and Biological Agents: I. Filtration for Ventilation Systems in Commercial Building

    Energy Technology Data Exchange (ETDEWEB)

    Thatcher, Tracy L.; Daisey, Joan M.

    1999-09-01

    There is growing concern about potential terrorist attacks involving releases of chemical and/or biological (CB) agents, such as sarin or anthrax, in and around buildings. For an external release, the CB agent can enter the building through the air intakes of a building's mechanical ventilation system and by infiltration through the building envelope. For an interior release in a single room, the mechanical ventilation system, which often recirculates some fraction of the air within a building, may distribute the released CB agent throughout the building. For both cases, installing building systems that remove chemical and biological agents may be the most effective way to protect building occupants. Filtration systems installed in the heating, ventilating and air-conditioning (HVAC) systems of buildings can significantly reduce exposures of building occupants in the event of a release, whether the release is outdoors or indoors. Reduced exposures can reduce the number of deaths from a terrorist attack. The purpose of this report is to provide information and examples of the design of filtration systems to help building engineers retrofit HVAC systems. The report also provides background information on the physical nature of CB agents and brief overviews of the basic principles of particle and vapor filtration.

  1. Preliminary screening of alternative technologies to incineration for treatment of chemical-agent-contaminated soil, Rocky Mountain Arsenal

    Energy Technology Data Exchange (ETDEWEB)

    Shem, L.M.; Rosenblatt, D.H.; Smits, M.P.; Wilkey, P.L.; Ballou, S.W.

    1995-12-01

    In support of the U.S. Army`s efforts to determine the best technologies for remediation of soils, water, and structures contaminated with pesticides and chemical agents, Argonne National Laboratory has reviewed technologies for treating soils contaminated with mustard, lewisite, sarin, o-ethyl s-(2- (diisopropylamino)ethyl)methyl-phosphonothioate (VX), and their breakdown products. This report focuses on assessing alternatives to incineration for dealing with these contaminants. For each technology, a brief description is provided, its suitability and constraints on its use are identified, and its overall applicability for treating the agents of concern is summarized. Technologies that merit further investigation are identified.

  2. Development and molecular modeling of Co(II, Ni(II and Cu(II complexes as high acting anti breast cancer agents

    Directory of Open Access Journals (Sweden)

    S.A. Deodware

    2017-02-01

    Full Text Available A series of cobalt, nickel and copper complexes of bidentate Schiff base derived from the condensation reaction of 4-amino-5-mercapto-3-methyl-1,2,4-triazole with 2-nitrobenzaldehyde had been synthesized. The synthesized Schiff base and their metal complexes have been characterized with the support of more than a few physicochemical techniques, elemental evaluation, magnetic moment measurements, spectroscopic, thermo gravimetric techniques and X-ray powder diffraction. Spectral analysis exhibits square planer geometry for Cu(II complex while octahedral geometry for Co(II and Ni(II complexes. The Schiff base and their complexes have been screened for their anticancer activity using MCF7 cell line. In molecular docking learn exhibits that Ni(II complex is more active confirmed quantity of interaction in particular hydrogen bond interaction with ASN142 and charge interactions with ASP97 and GLU99.

  3. In vitro DNA binding studies of the sweetening agent saccharin and its copper(II) and zinc(II) complexes.

    Science.gov (United States)

    Icsel, Ceyda; Yilmaz, Veysel T

    2014-01-05

    The interactions of fish sperm DNA (FS-DNA) with the sodium salt of sweetener saccharin (sacH) and its copper and zinc complexes, namely [M(sac)2(H2O)4]·2H2O (M=Cu(II) or Zn(II)) were studied by using UV-Vis titration, fluorometric competition, thermal denaturation, viscosity and gel electrophoresis measurements. The intrinsic binding constants (Kb) obtained from absorption titrations were estimated to be 2.86 (±0.06)×10(4)M(-1) for Na(sac), 6.67 (±0.12)×10(4)M(-1) for Cu-sac and 4.01 (±0.08)×10(4)M(-1) for Zn-sac. The Cu-sac complex binds to FS-DNA via intercalation with a KA value of 50.12 (±0.22)×10(4)M(-1) as evidenced by competitive binding studies with ethidium bromide. Moreover, competition experiments with Hoechst 33258 are indicative of a groove binding mode of Na(sac) and Zn-sac with binding constants of 3.13 (±0.16)×10(4)M(-1) and 5.25 (±0.22)×10(4)M(-1), respectively. The spectroscopic measurements indicate a moderate DNA binding affinity of Na(sac) and its metal complexes. The suggested binding modes are further confirmed by the thermal denaturation and viscosity measurements. In addition, Cu-sac and Zn-sac show weak ability to damage to pBR322 supercoiled plasmid DNA.

  4. The Next Generation of Platinum Drugs: Targeted Pt(II) Agents, Nanoparticle Delivery, and Pt(IV) Prodrugs.

    Science.gov (United States)

    Johnstone, Timothy C; Suntharalingam, Kogularamanan; Lippard, Stephen J

    2016-03-09

    The platinum drugs, cisplatin, carboplatin, and oxaliplatin, prevail in the treatment of cancer, but new platinum agents have been very slow to enter the clinic. Recently, however, there has been a surge of activity, based on a great deal of mechanistic information, aimed at developing nonclassical platinum complexes that operate via mechanisms of action distinct from those of the approved drugs. The use of nanodelivery devices has also grown, and many different strategies have been explored to incorporate platinum warheads into nanomedicine constructs. In this Review, we discuss these efforts to create the next generation of platinum anticancer drugs. The introduction provides the reader with a brief overview of the use, development, and mechanism of action of the approved platinum drugs to provide the context in which more recent research has flourished. We then describe approaches that explore nonclassical platinum(II) complexes with trans geometry or with a monofunctional coordination mode, polynuclear platinum(II) compounds, platinum(IV) prodrugs, dual-threat agents, and photoactivatable platinum(IV) complexes. Nanoparticles designed to deliver platinum(IV) complexes will also be discussed, including carbon nanotubes, carbon nanoparticles, gold nanoparticles, quantum dots, upconversion nanoparticles, and polymeric micelles. Additional nanoformulations, including supramolecular self-assembled structures, proteins, peptides, metal-organic frameworks, and coordination polymers, will then be described. Finally, the significant clinical progress made by nanoparticle formulations of platinum(II) agents will be reviewed. We anticipate that such a synthesis of disparate research efforts will not only help to generate new drug development ideas and strategies, but also will reflect our optimism that the next generation of approved platinum cancer drugs is about to arrive.

  5. Direct synthesis of magnetite nanoparticles from iron(II) carboxymethylcellulose and their performance as NMR contrast agents

    Science.gov (United States)

    da Silva, Delmarcio Gomes; Hiroshi Toma, Sergio; de Melo, Fernando Menegatti; Carvalho, Larissa Vieira C.; Magalhães, Alvicler; Sabadini, Edvaldo; dos Santos, Antônio Domingues; Araki, Koiti; Toma, e. Henrique E.

    2016-01-01

    Iron(II) carboxymethylcellulose (CMC) has been successfully employed in the synthesis of hydrophylic magnetite nanoparticles stabilized with a biopolymer coating, aiming applications in NMR imaging. The new method encompasses a convenient one-step synthetic procedure, allowing a good size control and yielding particles of about 10 nm (core size). In addition to the biocompatibility, the nanoparticles have promoted a drastic reduction in the transverse relaxation time (T2) of the water protons. The relaxivity rates have been investigated as a function of the nanoparticles concentration, showing a better performance in relation to the common NMR contrast agents available in the market.

  6. Synthesis, crystallographic characterization and electrochemical property of a copper(II) complex of the anticancer agent elesclomol.

    Science.gov (United States)

    Vo, Nha Huu; Xia, Zhiqiang; Hanko, Jason; Yun, Tong; Bloom, Steve; Shen, Jianhua; Koya, Keizo; Sun, Lijun; Chen, Shoujun

    2014-01-01

    Elesclomol is a novel anticancer agent that has been evaluated in a number of late stage clinical trials. A new and convenient synthesis of elesclomol and its copper complex is described. X-ray crystallographic characterization and the electrochemical properties of the elesclomol copper(II) complex are discussed. The copper(II) cation is coordinated in a highly distorted square-planar geometry to each of the sulphur and amide nitrogen atoms of elesclomol. Electrochemical measurements demonstrate that the complex undergoes a reversible one-electron reduction at biologically accessible potentials. In contrast the free elesclomol is found electrochemically inactive. This evidence is in strong support of the mechanism of action we proposed for the anticancer activity of elesclomol.

  7. The importance of chemical components in cleaning agents for the indoor environment

    DEFF Research Database (Denmark)

    Vejrup, Karl Ventzel

    .The investigation of VOC emission from 10 selected cleaning agents showed that it was useful to classify the VOCs into two groups: nonpolar VOCs and polar VOCs.The nonpolar VOCs consisted of several hundred different compounds, mainly terpenes typically used as perfume in cleaning agents. The nonpolar VOC...

  8. Analysis of Urinary Metabolites of Nerve and Blister Chemical Warfare Agents

    Science.gov (United States)

    2014-08-01

    Warfare Agents GA Tabun , ethyl dimethylphosphoramidate GB Sarin, isopropyl methylphosphonofluoridate GD Soman, pinacolyl methylphosphonofluoridate...and their metabolites Agent Metabolite GA, Tabun O P O N CN Ethyl Dimethylphosphoroamidate, EDMAP, GA Acid HO P O N CN GB, Sarin P O

  9. Surface with two paint strips for detection and warning of chemical warfare and radiological agents

    Science.gov (United States)

    Farmer, Joseph C.

    2013-04-02

    A system for warning of corrosion, chemical, or radiological substances. The system comprises painting a surface with a paint or coating that includes an indicator material and monitoring the surface for indications of the corrosion, chemical, or radiological substances.

  10. Rapid Analysis of Chemical Warfare Agents and Their Hydrolysis Products by Desorption Electrospray Ionization Mass Spectrometry (DESI-MS)

    Science.gov (United States)

    2009-10-01

    to diethyl hydrogen phosphate, suggesting that hydrolysis of nerve agents to their initial acids would be significant following autoclaving... toxins and related compounds: state of the art and future prospects. J. Chromatogr. A, 814, 1- 23. [4] Munro, N.B., Talmage, S.S., Griffin, G.D., Waters...Morrissey, K.M. and Durst, H.D. (2000). Trace determination of isopropyl methylphosphonofluoridate (GB) and bis (2-chloroethyl) sulfide (HD) in chemical

  11. Ionization Mechanism of the Ambient Pressure Pyroelectric Ion Source (APPIS) and Its Applications to Chemical Nerve Agent Detection

    OpenAIRE

    Neidholdt, Evan L.; Beauchamp, J. L.

    2009-01-01

    We present studies of the ionization mechanism operative in the ambient pressure pyroelectric ionization source (APPIS), along with applications that include detection of simulants for chemical nerve agents. It is found that ionization by APPIS occurs in the gas-phase. As the crystal is thermally cycled over a narrow temperature range, electrical discharges near the surface of the crystal produce energetic species which, through reactions with atmospheric molecules, result in reactant ions su...

  12. How Do I Know? A Guide to the Selection of Personal Protective Equipment for Use in Responding to A Release of Chemical Warfare Agents

    Energy Technology Data Exchange (ETDEWEB)

    Foust, C.B.

    1999-05-01

    An incident involving chemical warfare agents requires a unique hazardous materials (HAZMAT) response. As with an HAZMAT event, federal regulations prescribe that responders must be protected from exposure to the chemical agents. But unlike other HAZMAT events, special considerations govern selection of personal protective equipment (PPE). PPE includes all clothing, respirators and monitoring devices used to respond to a chemical release. PPE can differ depending on whether responders are military or civilian personnel.

  13. Cooperative Interface Agents for Networked Command, Control, and Communications: Phase II

    Science.gov (United States)

    2006-04-01

    24 The CIANC3 Agent Communication Language .............................................................. 25 D eo n tics ...Refnlnrce Breach a with A-sUlt Team USII-M3G-V1lOICV N/A NJI 07 Cofterix Enemny resisrance pearmits conetinuationr of operation F] n] n USO -lAyG

  14. Effect of various chemical agents used in gingival retraction systems on smear layer: Scanning electron microscope study

    Directory of Open Access Journals (Sweden)

    Krishna Shivraj Lahoti

    2016-01-01

    Full Text Available Background: Chemical agents used for gingival retraction affects the smear layer. Aim: To determine the effect of three different chemical agents used for gingival retraction systems on smear layer. Materials and Methods: Four human premolars were prepared using air-rotor with air-water spray to receive full crown restoration. Three of them were treated with 21.3% aluminum chloride for 10 min, 0.05% oxymetazoline hydrochloride for 10 min, and expasyl for 2 min, respectively. One sample was left untreated. Then, the tooth specimens were rinsed with tap water to remove any residue of test materials. All the samples (treated and untreated were processed by scanning electron microscope (SEM. Processed samples were examined under SEM at ×2400 to evaluate the effect of chemical agents on smear layer. Results: SEM examination revealed that 0.05% oxymetazoline hydrochloride for 10 min produced no alteration to smear layer followed by minimum alteration by expasyl for 2 min and complete removal of smear layer with etching of dentin with 21.3% aluminum chloride for 10 min. Conclusion: 0.05% oxymetazoline hydrochloride and expasyl are kind to smear layer.

  15. Polymers as directing agents for motions of chemical and biological species

    Science.gov (United States)

    Tanyeri, Nihan Yonet

    This thesis involves descriptions of solid surface modifications with various polymeric materials which were used as a guiding agent for motion of chemical and biological species. Quasi-two dimensional poly(oligoethylene glycol) acrylate polymer brush based molecular conduits have been designed with the goal of regulating and controlling the diffusive transport of molecular, e.g. organic dyes, and ionic species, e.g. AuCl4-, and Cu2+ ions, along predefined 2-D pathways. The transport of these chemical species has been examined by both fluorescence and dark field microscopy. The polymer brushes were formed through microcontact printing of an initiator, followed by surface-initiated Atom Transfer Radical Polymerization (SI-ATRP). SI-ATRP enables both 2-D patterning with a resolution of about 1 micrometer, and control over the resultant polymer brush thickness (which was varied from 10-100 nm). A hydrophilic poly(oligoethylene glycol) acrylate brushe was selected because of its potential to dissolve a wide range of hydrophilic species. The transport of fluorescent species can be directly followed. A non-lithographic fabrication method was developed for mufluidic devices used in the diffusion studies. Singular channel mufluidic device was utilized to study the directed organic dye diffusion. The AuCl4-, and Cu 2+ ion transport was studied by designing molecular devices with two mufluidic channels. We have demonstrated that the various species of interest diffuse much more rapidly along the predefined pathway than along the bare (polymer brush free) regions of the substrate, demonstrating that diffusive conduits for molecular transport can indeed be formed. The protein resistance of poly(N-isopropylacrylamide) (PNIPAM) brushes grafted from silicon wafers was investigated as a function of the chain molecular weight, grafting density, and temperature. Above the lower critical solution temperature (LCST) of 32°C, the collapse of the water swollen chains, determined by

  16. EcoBot-II: An artificial agent with a natural metabolism

    Directory of Open Access Journals (Sweden)

    Chris Melhuish

    2008-11-01

    Full Text Available In this paper we report the development of the robot EcoBot-II, which exhibits a primitive form of artificial symbiosis. Microbial Fuel Cells (MFCs were used as the onboard energy supply, which consisted of bacterial cultures from sewage sludge and employed oxygen from free air for oxidation at the cathode. EcoBot-II was able to perform sensing, information processing, communication and actuation when fed (amongst other substrates with flies. This is the first robot in the world, to utilise unrefined substrate, oxygen from free air and exhibit four different types of behaviour.

  17. Effects of systematic error, estimates and uncertainties in chemical mass balance apportionments: Quail Roost II revisited

    Science.gov (United States)

    Lowenthal, Douglas H.; Hanumara, R. Choudary; Rahn, Kenneth A.; Currie, Lloyd A.

    The Quail Roost II synthetic data set II was used to derive a comprehensive method of estimating uncertainties for chemical mass balance (CMB) apportionments. Collinearity-diagnostic procedures were applied to CMB apportionments of data set II to identify seriously collinear source profiles and evaluate the effects of the degree of collinearity on source-strength estimates and their uncertainties. Fractional uncertainties of CMB estimates were up to three times higher for collinear source profiles than for independent ones. A theoretical analysis of CMB results for synthetic data set II led to the following general conclusions about CMB methodology. Uncertainties for average estimated source strengths will be unrealistically low unless sources whose estimates are constrained to zero are included when calculating uncertainties. Covariance in source-strength estimates is caused by collinearity and systematic errors in source specification and composition. Propagated uncertainties may be underestimated unless covariances as well as variances of estimates are included. Apportioning the average aerosol will account for systematic errors only when the correct model is known, when measurement uncertainties in ambient and source-profile data are realistic, and when the source profiles are not collinear.

  18. Selection of Chelated Fe (III)/Fe (II) Catalytic Oxidation Agents for Desulfurization Based on Iron Complexation Method

    Institute of Scientific and Technical Information of China (English)

    Luo Ying; Liu Youzhi; Qi Guisheng; Guo Huidong; Zhu Zhengfeng

    2014-01-01

    Optimization of factors inlfuencing the experiments on reactions involving 8 different chelating agents and sol-uble Fe (III)/Fe (II) salts was carried out to yield chelated iron complexes. A combination of optimized inlfuencing factors has resulted in a Fe chelating capacity of the iron-based desulfurization solution to be equal to 6.83—13.56 g/L at a redox potential of 0.185—0.3. The desulfurization performance of Fe (III)/Fe (II) chelating agents was investigated on a simulated sulfur-containing industrial gas composed of H2S and N2 in a cross-lfow rotating packed bed. Test results have revealed that the proposed iron-based desulfurization solution showed a sulfur removal efifciency of over 99%along with a Fe chelating capacity exceeding 1.35 g/L. This desulfurization technology which has practical application prospect is currently in the phase of commercial scale-up study.

  19. Dissecting the chemical interactions and substrate structural signatures governing RNA polymerase II trigger loop closure by synthetic nucleic acid analogues

    DEFF Research Database (Denmark)

    Xu, Liang; Butler, Kyle Vincent; Chong, Jenny;

    2014-01-01

    The trigger loop (TL) of RNA polymerase II (Pol II) is a conserved structural motif that is crucial for Pol II catalytic activity and transcriptional fidelity. The TL remains in an inactive open conformation when the mismatched substrate is bound. In contrast, TL switches from an inactive open...... state to a closed active state to facilitate nucleotide addition upon the binding of the cognate substrate to the Pol II active site. However, a comprehensive understanding of the specific chemical interactions and substrate structural signatures that are essential to this TL conformational change...... II. This study reveals novel insights into understanding the molecular basis of TL conformational transition upon substrate binding during Pol II transcription. This synthetic chemical biology approach may be extended to understand the mechanisms of other RNA polymerases as well as other nucleic acid...

  20. A novel agent exerts antitumor activity in breast cancer cells by targeting mitochondrial complex II

    Science.gov (United States)

    Cui, Guozhen; Chan, Judy Yuet-Wa; Wang, Li; Li, Chuwen; Shan, Luchen; Xu, Changjiang; Zhang, Qingwen; Wang, Yuqiang; Di, Lijun; Lee, Simon Ming-Yuen

    2016-01-01

    The mitochondrial respiratory chain, including mitochondrial complex II, has emerged as a potential target for cancer therapy. In the present study, a novel conjugate of danshensu (DSS) and tetramethylpyrazine (TMP), DT-010, was synthesized. Our results showed that DT-010 is more potent than its parental compounds separately or in combination, in inhibiting the proliferation of MCF-7 and MDA-MB-231 cells by inducing cytotoxicity and promoting cell cycle arrest. It also inhibited the growth of 4T1 breast cancer cells in vivo. DT-010 suppressed the fundamental parameters of mitochondrial function in MCF-7 cells, including basal respiration, ATP turnover, maximal respiration. Treatment with DT-010 in MCF-7 and MDA-MB-231 cells resulted in the loss of mitochondrial membrane potential and decreased ATP production. DT-010 also promoted ROS generation, while treatment with ROS scavenger, NAC (N-acetyl-L-cysteine), reversed DT-010-induced cytotoxicity. Further study showed that DT-010 suppressed succinate-induced mitochondrial respiration and impaired mitochondrial complex II enzyme activity indicating that DT-010 may inhibit mitochondrial complex II. Overall, our results suggested that the antitumor activity of DT-010 is associated with inhibition of mitochondrial complex II, which triggers ROS generation and mitochondrial dysfunction in breast cancer cells. PMID:27081033

  1. Ruthenium (II) complexes of thiosemicarbazone: Synthesis, biosensor applications and evaluation as antimicrobial agents

    Energy Technology Data Exchange (ETDEWEB)

    Yildirim, Hatice [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Department of Chemistry, 35160 Buca, Izmir (Turkey); Guler, Emine [Ege University, Faculty of Science, Department of Biochemistry, 35100 Bornova, Izmir (Turkey); Yavuz, Murat, E-mail: myavuz@dicle.edu.tr [Ege University, Faculty of Science, Department of Biochemistry, 35100 Bornova, Izmir (Turkey); Dicle University, Faculty of Science, Department of Chemistry, 21280 Diyarbakir (Turkey); Ozturk, Nurdan; Kose Yaman, Pelin [Dokuz Eylul University, The Graduate School of Natural and Applied Sciences, Department of Chemistry, 35160 Buca, Izmir (Turkey); Subasi, Elif; Sahin, Elif [Dokuz Eylul University, Faculty of Science, Department of Chemistry, 35160 Buca, Izmir (Turkey); Timur, Suna [Ege University, Faculty of Science, Department of Biochemistry, 35100 Bornova, Izmir (Turkey); Ege University, Institute on Drug Abuse, Toxicology and Pharmaceutical Science (BATI), 35100 Bornova, Izmir (Turkey)

    2014-11-01

    A conformationally rigid half-sandwich organoruthenium (II) complex [(η{sup 6}-p-cymene)RuClTSC{sup N–S}]Cl, (1) and carbonyl complex [Ru(CO)Cl(PPh{sub 3}){sub 2}TSC{sup N–S}] (2) have been synthesized from the reaction of [{(η"6-p-cymene)RuCl}{sub 2}(μ-Cl){sub 2}] and [Ru(H)(Cl)(CO)(PPh{sub 3}){sub 3}] with thiophene-2-carboxaldehyde thiosemicarbazon (TSC) respectively and both novel ruthenium (II) complexes have been characterized by elemental analysis, FT-IR and NMR spectroscopy. The peripheral TSC in the complexes acts as an electrochemical coupling unit providing the ability to carry out electrochemical deposition (ED) and to form an electro-deposited film on a graphite electrode surface. The biosensing applicability of complexes 1 and 2 was investigated by using glucose oxidase (GOx) as a model enzyme. Electrochemical measurements at − 0.9 V versus Ag/AgCl electrode by following the ED Ru(II) reduction/oxidation due to from the enzyme activity, in the presence of glucose substrate. The designed biosensor showed a very good linearity for 0.01–0.5 mM glucose. The in vitro antimicrobial activities of complexes 1 and 2 were also investigated against nine bacterial strains and one fungus by the disc diffusion test method. No activity was observed against the Gram-negative strains and fungus, whereas complex 1 showed moderate antibacterial activities against Gram-positive bacterial strains. - Highlights: • Novel Ru (II) thiosemicarbazone complexes were synthesized and characterized. • Electrochemical depositions were performed. • Rigid half-sandwich Ru (II) complex showed enhanced antibacterial activity.

  2. Chelating agent free-solid phase extraction (CAF-SPE) of Co(II), Cu(II) and Cd(II) by new nano hybrid material (ZrO{sub 2}/B{sub 2}O{sub 3})

    Energy Technology Data Exchange (ETDEWEB)

    Yalcinkaya, Ozcan [Gazi University, Science Faculty, Department of Chemistry, 06500, Ankara (Turkey); Kalfa, Orhan Murat [Dumlupinar University, Science and Art Faculty, Department of Chemistry, 43100, Kuetahya (Turkey); Tuerker, Ali Rehber, E-mail: aturker@gazi.edu.tr [Gazi University, Science Faculty, Department of Chemistry, 06500, Ankara (Turkey)

    2011-11-15

    Highlights: {yields} A novel sorbent for solid phase extraction for the preconcentration of metal ions. {yields} Hybrid nano-scale ZrO{sub 2}/B{sub 2}O{sub 3} as a new SPE material. {yields} There is a no need for using any chelating agents before the preconcentration procedure. - Abstract: New nano hybrid material (ZrO{sub 2}/B{sub 2}O{sub 3}) was synthesized and applied as a sorbent for the separation and/or preconcentration of Co(II), Cu(II) and Cd(II) in water and tea leaves prior to their determination by flame atomic absorption spectrometry. Synthesized nano material was characterized by scanning electron microscope, transmission electron microscope and X-ray diffraction. The optimum conditions for the quantitative recovery of the analytes, including pH, eluent type and volume, flow rate of sample solution were examined. The effect of interfering ions was also investigated. Under the optimum conditions, adsorption isotherms and adsorption capacities have been examined. The recoveries of Co(II), Cu(II) and Cd(II) were 96 {+-} 3%, 95 {+-} 3%, 98 {+-} 4% at 95% confidence level, respectively. The analytical detection limits for Co(II), Cu(II), and Cd(II) were 3.8, 3.3, and 3.1 {mu}g L{sup -1}, respectively. The reusability and adsorption capacities (32.2 mg g{sup -1} for Co, 46.5 mg g{sup -1} for Cu and 109.9 mg g{sup -1} for Cd) of the sorbent were found as satisfactory. The accuracy of the method was confirmed by analyzing certified reference material (GBW-07605 Tea leaves) and spiked real samples. The method was applied for the determination of analytes in tap water and tea leaves.

  3. Effects of chemical speciation in growth media on the toxicity of mercury(II).

    Science.gov (United States)

    Farrell, R E; Germida, J J; Huang, P M

    1993-05-01

    The toxicity of metals, including mercury, is expressed differently in different media, and the addition of soluble organics to the growth medium can have a significant impact on bioassay results. Although the effect of medium composition on metal toxicity is generally attributed to its effect on metal speciation (i.e., the chemical form in which the metal occurs), the importance of individual metal-ligand species remains largely unclear. Here, we report the results of a study that investigated, both experimentally and from a modeling perspective, the effects of complex soluble organic supplements on the acute toxicity (i.e., 50% inhibitory concentration [IC50]) of mercury to a Pseudomonas fluorescens isolate in chemically well-defined synthetic growth media (M-IIX). The media consisted of a basal inorganic salts medium supplemented with glycerol (0.1%, vol/vol) and a variety of common protein hydrolysates (0.1%, vol/vol), i.e., Difco beef extract (X = B), Casamino Acids (X = C), peptone (X = P), soytone (X = S), tryptone (X = T), and yeast extract (X = Y). These were analyzed to obtain cation, anion, and amino acid profiles and the results were used to compute the aqueous speciation of Hg(II) in the media. Respirometric bioassays were performed and IC50s were calculated. Medium components varied significantly in their effects on the acute toxicity of Hg(II) to the P. fluorescens isolate. IC50s ranged from 1.48 to 14.54 micrograms of Hg ml-1, and the acute toxicity of Hg(II) in the different media decreased in the order M-IIC > M-IIP > M-IIB > M-IIT > M-IIS > M-IIY.(ABSTRACT TRUNCATED AT 250 WORDS)

  4. ORAL HYPOGLYCAEMIC AGENTS IN THE MANAGEMENT OF TYPE II DIABETES MELLITUS

    Directory of Open Access Journals (Sweden)

    Durgaprasad M.

    2016-06-01

    Full Text Available OBJECTIVES Diabetes is fast gaining the status of a potential epidemic globally. The number of people with diabetes has risen from 108 million in 1980 to 422 million in 2014, the rise seen more rapidly in developing and under developed countries. Type 2 Diabetes Mellitus (T2DM being the most common type, accounting for an estimated 85-95% of all diabetes cases. Diabetes remains a major cause of blindness, renal failure, and cardiovascular events including heart attacks, stroke and limb amputations. 1 Being an heterogeneous disorder, many adults with T2DM have difficulty controlling their blood sugar levels and associated complications as most of available antidiabetic agents aim to achieve only normoglycaemia and relieve diabetes symptoms, such as polydipsia, polyuria, weight loss, ketoacidosis while the longterm goals to prevent the development of or slow the progression of longterm complications of the disease is often unaddressed, therefore, there remains, a significant unmet demand for new agents that will help diabetic patients achieve treatment targets without increasing the risk for weight gain or hypoglycaemia. Among the new classes of oral agents, SGLT-2 inhibitors and mTOT insulin sensitisers appear to hold some good promise. However, recent articles published describing its adverse effect profile of SGLT-2 inhibitors had put a question mark on its utility. In this article, we have reviewed the plethora of available OHAs along with the newer OHAs for managing T2DM optimally.

  5. Disposal of chemical agents and munitions stored at Umatilla Depot Activity, Hermiston, Oregon. Final Phase 1 environmental report

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, G.P.; Hillsman, E.L.; Johnson, R.O.; Miller, R.L.; Patton, T.G.; Schoepfle, G.M.; Tolbert, V.R.; Feldman, D.L.; Hunsaker, D.B. Jr.; Kroodsma, R.L.; Morrissey, J.; Rickert, L.W.; Staub, W.P.; West, D.C.

    1993-02-01

    The Umatilla Depot Activity (UMDA) near Hermiston, Oregon, is one of eight US Army installations in the continental United States where lethal unitary chemical agents and munitions are stored, and where destruction of agents and munitions is proposed under the Chemical Stockpile Disposal Program (CSDP). The chemical agent inventory at UMDA consists of 11.6%, by weight, of the total US stockpile. The destruction of the stockpile is necessary to eliminate the risk to the public from continued storage and to dispose of obsolete and leaking munitions. In 1988 the US Army issued a Final Programmatic Environmental Impact Statement (FPEIS) for the CSDP that identified on-site disposal of agents and munitions as the environmentally preferred alternative (i.e., the alternative with the least potential to cause significant adverse impacts), using a method based on five measures of risk for potential human health and ecosystem/environmental effects; the effectiveness and adequacy of emergency preparedness capabilities also played a key role in the FPEIS selection methodology. In some instances, the FPEIS included generic data and assumptions that were developed to allow a consistent comparison of potential impacts among programmatic alternatives and did not include detailed conditions at each of the eight installations. The purpose of this Phase 1 report is to examine the proposed implementation of on-site disposal at UMDA in light of more recent and more detailed data than those included in the FPEIS. Specifically, this Phase 1 report is intended to either confirm or reject the validity of on-site disposal for the UMDA stockpile. Using the same computation methods as in the FPEIS, new population data were used to compute potential fatalities from hypothetical disposal accidents. Results indicate that onsite disposal is clearly preferable to either continued storage at UMDA or transportation of the UMDA stockpile to another depot for disposal.

  6. Imaging in Vivo Extracellular pH with a Single Paramagnetic Chemical Exchange Saturation Transfer Magnetic Resonance Imaging Contrast Agent

    Directory of Open Access Journals (Sweden)

    Guanshu Liu

    2012-01-01

    Full Text Available The measurement of extracellular pH (pHe has potential utility for cancer diagnoses and for assessing the therapeutic effects of pH-dependent therapies. A single magnetic resonance imaging (MRI contrast agent that is detected through paramagnetic chemical exchange saturation transfer (PARACEST was designed to measure tumor pHe throughout the range of physiologic pH and with magnetic resonance saturation powers that are not harmful to a mouse model of cancer. The chemical characterization and modeling of the contrast agent Yb3+-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid, 10-o-aminoanilide (Yb-DO3A-oAA suggested that the aryl amine of the agent forms an intramolecular hydrogen bond with a proximal carboxylate ligand, which was essential for generating a practical chemical exchange saturation transfer (CEST effect from an amine. A ratio of CEST effects from the aryl amine and amide was linearly correlated with pH throughout the physiologic pH range. The pH calibration was used to produce a parametric pH map of a subcutaneous flank tumor on a mouse model of MCF-7 mammary carcinoma. Although refinements in the in vivo CEST MRI methodology may improve the accuracy of pHe measurements, this study demonstrated that the PARACEST contrast agent can be used to generate parametric pH maps of in vivo tumors with saturation power levels that are not harmful to a mouse model of cancer.

  7. The Concentration Probability Density Function With Implications for Probabilistic Modeling of Chemical Warfare Agent Detector Responses for Source Reconstruction

    Science.gov (United States)

    2008-05-01

    probabiliste concernant la réponse du détecteur d’agents chimiques , dans le contexte du problème de la reconstruction de source. ii DRDC Suffield TR 2008...quantité d’agent émis et l’heure de l’émission détectée par un réseau de capteurs CBR. Pour être en mesure de combler cette lacune, le Programme de...tions CBR provenant de réseaux de capteurs éloignés pouvant être déployés et ayant des données de modèles de concentrations obtenues par des

  8. Research on the Interaction of Hydrogen-Bond Acidic Polymer Sensitive Sensor Materials with Chemical Warfare Agents Simulants by Inverse Gas Chromatography

    Directory of Open Access Journals (Sweden)

    Liu Yang

    2015-06-01

    Full Text Available Hydrogen-bond acidic polymers are important high affinity materials sensitive to organophosphates in the chemical warfare agent sensor detection process. Interactions between the sensor sensitive materials and chemical warfare agent simulants were studied by inverse gas chromatography. Hydrogen bonded acidic polymers, i.e., BSP3, were prepared for micro-packed columns to examine the interaction. DMMP (a nerve gas simulant and 2-CEES (a blister agent simulant were used as probes. Chemical and physical parameters such as heats of absorption and Henry constants of the polymers to DMMP and 2-CEES were determined by inverse gas chromatography. Details concerning absorption performance are also discussed in this paper.

  9. Research on the interaction of hydrogen-bond acidic polymer sensitive sensor materials with chemical warfare agents simulants by inverse gas chromatography.

    Science.gov (United States)

    Yang, Liu; Han, Qiang; Cao, Shuya; Huang, Feng; Qin, Molin; Guo, Chenghai; Ding, Mingyu

    2015-06-02

    Hydrogen-bond acidic polymers are important high affinity materials sensitive to organophosphates in the chemical warfare agent sensor detection process. Interactions between the sensor sensitive materials and chemical warfare agent simulants were studied by inverse gas chromatography. Hydrogen bonded acidic polymers, i.e., BSP3, were prepared for micro-packed columns to examine the interaction. DMMP (a nerve gas simulant) and 2-CEES (a blister agent simulant) were used as probes. Chemical and physical parameters such as heats of absorption and Henry constants of the polymers to DMMP and 2-CEES were determined by inverse gas chromatography. Details concerning absorption performance are also discussed in this paper.

  10. Effect of different complexing agents on the properties of chemical-bath-deposited ZnS thin films

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jun; Wei, Aixiang, E-mail: weiax@gdut.edu.cn; Zhao, Yu

    2014-03-05

    Highlights: • To fabricate high quality ZnS films need to promote the ion-by-ion process and restrain cluster-by-cluster process. • The complexation ability of tri-sodium citrate is stronger than that of hydrazine hydrate. • The nucleation density of nuclei determine the performance of ZnS thin films. -- Abstract: Zinc sulfide (ZnS) thin films were deposited on glass substrates using the chemical bath deposition (CBD) technique. The effects of different complexing agents (tri-sodium citrate, hydrazine hydrate) and their concentrations on the structure, composition, morphology, optical properties and growth mechanism of ZnS thin films were investigated. The results indicated that the chemical-bath-deposited ZnS thin films exhibit poor crystallinity and a high Zn/S atomic ratio with an average transmittance of 75% in the range of visible light. The ZnS thin films prepared using hydrazine hydrate as the complexing agent present a more compact surface, a smaller average particle size, and a sharper absorption edge at 300–340 nm compared with those prepared using tri-sodium citrate. Based on our experimental observations and analysis, we conclude that the predominant growth mechanism of ZnS thin films is an ion-by-ion process. The nucleation density of Zn(OH){sub 2} nuclei on the substrate in the initial stage produces the different morphologies and properties of the ZnS thin films prepared using the two complexing agents.

  11. Computer simulation of the air flow distribution in goaf regarding the use of inert gases and chemical agents

    Institute of Scientific and Technical Information of China (English)

    Waclaw Dziurzy(n)ski; Stanislaw Nawrat

    2011-01-01

    This paper presents the use of a computer method of the ventilation process simulation for the analysis of the flow distribution of air and gases in the area of wall mining work and the adjacent goaf.In workings and goaf,the complex issue of the formation of a gaseous atmosphere under variable ventilation conditions and an existing fire hazard level,with the possibility of feeding goaf with an additional carbon dioxide flux as the inertizing agent is considered.Some examples of the simulation of feeding goaf with carbon dioxide illustrating the different patterns of the distribution of the goaf atmosphere gases concentration,said distribution patterns being gas supply place dependent,have been presented.In addition,the impact of the additional sealing of goaf on the distribution level of the concentration of gases,the said sealing made from the wall side with chemical agents has also been considered.The capabilities of the VentGoaf computer simulation program,being the basis for our calculations,enable consideration of the use of the inert gases supplied to the goaf depending on:the location of the gas feeding the pipe outlet,tightness of the fire field,fire centre location,and spatial situation of the mined wall.It has been found that fire prevention elements,such as chemical sealing agents,are of great impact on the effectiveness of fire prevention.

  12. Iron oxide functionalized graphene nano-composite for dispersive solid phase extraction of chemical warfare agents from aqueous samples.

    Science.gov (United States)

    Chinthakindi, Sridhar; Purohit, Ajay; Singh, Varoon; Tak, Vijay; Goud, D Raghavender; Dubey, D K; Pardasani, Deepak

    2015-05-15

    Present study deals with the preparation and evaluation of graphene based magnetic nano-composite for dispersive solid phase extraction of Chemical Weapons Convention (CWC) relevant chemicals from aqueous samples. Nano-composite, Fe3O4@SiO2-G was synthesized by covalently bonding silica coated Fe3O4 onto the graphene sheets. Nerve agents (NA), Sulfur mustard (SM) and their non-toxic environmental markers were the target analytes. Extraction parameters like amount of sorbent, extraction time and desorption conditions were optimized. Dispersion of 20 milligram of sorbent in 200mL of water sample for 20min. followed by methanol/chloroform extraction produced average to good recoveries (27-94%) of targeted analytes. Recoveries of real agents exhibited great dependency upon sample pH and ionic strength. Sarin produced maximum recovery under mild acidic conditions (56% at pH 5) while VX demanded alkaline media (83% at pH 9). Salts presence in the aqueous samples was found to be advantageous, raising the recoveries to as high as 94% for SM. Excellent limits of detection (LOD) for sulphur mustard and VX (0.11ngmL(-1) and 0.19ngmL(-1) respectively) proved the utility of the developed method for the off-site analysis of CWC relevant chemicals.

  13. Physico-chemical properties and toxic effect of fruit-ripening agent calcium carbide

    Directory of Open Access Journals (Sweden)

    Mohammad Asif

    2012-01-01

    Full Text Available Ripening is the final stage of the maturation process, when the fruit changes color, softens and develops the flavor, texture and aroma that constitute optimum eating quality. This study was conducted to discuss the use of unsatisfactory calcium carbide to ripen fruits for domestic markets as well as their toxic effects on human health. The commonly used ripening agents are calcium carbide, acetylene, ethylene, propylene, ethrel (2-chloroethyl phosphonic acid, glycol, ethanol and some other agents. The calcium carbide is one of the most commonly used ripening agent for fruits, while other calcium salts like calcium ammonium nitrate, calcium chloride and calcium sulfate are used to delay fruit ripening agents for local fruit industries. The use of calcium carbide is being discouraged worldwide, due to associated health hazards. Calcium carbide treatment of food is extremely hazardous because it contains traces of arsenic and phosphorous, and once dissolved in water, it produces acetylene gas. Arsenic, phosphorous and acetylene gas may affect the different body organs and causes various health problems like headache, dizziness, mood disturbances, sleepiness, mental confusion, memory loss, cerebral edema, seizures and prolonged hypoxia.

  14. Dual-Function Metal-Organic Framework as a Versatile Catalyst for Detoxifying Chemical Warfare Agent Simulants.

    Science.gov (United States)

    Liu, Yangyang; Moon, Su-Young; Hupp, Joseph T; Farha, Omar K

    2015-12-22

    The nanocrystals of a porphyrin-based zirconium(IV) metal-organic framework (MOF) are used as a dual-function catalyst for the simultaneous detoxification of two chemical warfare agent simulants at room temperature. Simulants of nerve agent (such as GD, VX) and mustard gas, dimethyl 4-nitrophenyl phosphate and 2-chloroethyl ethyl sulfide, have been hydrolyzed and oxidized, respectively, to nontoxic products via a pair of pathways catalyzed by the same MOF. Phosphotriesterase-like activity of the Zr6-containing node combined with photoactivity of the porphyrin linker gives rise to a versatile MOF catalyst. In addition, bringing the MOF crystals down to the nanoregime leads to acceleration of the catalysis.

  15. Wearable Atmospheric Pressure Plasma Fabrics Produced by Knitting Flexible Wire Electrodes for the Decontamination of Chemical Warfare Agents

    Science.gov (United States)

    Jung, Heesoo; Seo, Jin Ah; Choi, Seungki

    2017-01-01

    One of the key reasons for the limited use of atmospheric pressure plasma (APP) is its inability to treat non-flat, three-dimensional (3D) surface structures, such as electronic devices and the human body, because of the rigid electrode structure required. In this study, a new APP system design—wearable APP (WAPP)—that utilizes a knitting technique to assemble flexible co-axial wire electrodes into a large-area plasma fabric is presented. The WAPP device operates in ambient air with a fully enclosed power electrode and grounded outer electrode. The plasma fabric is flexible and lightweight, and it can be scaled up for larger areas, making it attractive for wearable APP applications. Here, we report the various plasma properties of the WAPP device and successful test results showing the decontamination of toxic chemical warfare agents, namely, mustard (HD), soman (GD), and nerve (VX) agents.

  16. Hand-held analyser based on microchip electrophoresis with contactless conductivity detection for measurement of chemical warfare agent degradation products

    Science.gov (United States)

    Duran, Karolina-Petkovic; Zhu, Yonggang; Chen, Chuanpin; Swallow, Anthony; Stewart, Robert; Hoobin, Pam; Leech, Patrick; Ovenden, Simon

    2008-12-01

    This paper reports on the development of a hand-held device for on-site detection of organophosphonate nerve agent degradation products. This field-deployable analyzer relies on efficient microchip electrophoresis separation of alkyl methylphosphonic acids and their sensitive contactless conductivity detection. Miniaturized, low-powered design is coupled with promising analytical performance for separating the breakdown products of chemical warfare agents such as Soman, Sarin and VX . The detector has a detection limit of about 10 μg/mL and has a good linear response in the range 10-300 μg/mL concentration range. Applicability to environmental samples is demonstrated .The new hand-held analyzer offers great promise for converting conventional ion chromatography or capillary electrophoresis sophisticated systems into a portable forensic laboratory for faster, simpler and more reliable on-site screening.

  17. Comparative antibacterial activity of silver nanoparticles synthesised by biological and chemical routes with pluronic F68 as a stabilising agent.

    Science.gov (United States)

    Santos, Carolina Alves Dos; Seckler, Marcelo Martins; Ingle, Avinash P; Rai, Mahendra

    2016-08-01

    The authors report the comparative antibacterial activity of silver nanoparticles synthesised by biological (using Fusarium oxysporum) and chemical routes in the presence and absence of pluronic F68 as a stabilising agent. The production of silver nanoparticles was evidenced by UV-visible spectra, with absorbance at about 420 nm in the case of both biological and chemical synthesis. X-ray diffraction pattern confirmed the presence of face-centred cubic structure (FCC plane). The nanoparticles characterised by transmission and scanning electron microscopy showed spherical silver nanoparticles with size range of 5-40 and 10-70 nm in the case of biologically and chemically synthesised nanoparticles, respectively. Addition of pluronic F68 showed the stabilisation of silver nanoparticles. Antibacterial efficacy of silver nanoparticles demonstrated different inhibitory activity against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus. Overall, biologically synthesised silver nanoparticles showed higher activity as compared with chemically synthesised nanoparticles. Silver nanoparticles synthesised in the presence of pluronic F68 by the chemical route exhibited synergism in antibacterial activity as compared with those synthesised without pluronic F68. On the contrary, biogenic silver nanoparticles without pluronic F68 showed higher antibacterial potential.

  18. Thermal and chemical decomposition of di(pyrazine)silver(II) peroxydisulfate and unusual crystal structure of a Ag(I) by-product.

    Science.gov (United States)

    Leszczyński, Piotr J; Budzianowski, Armand; Dobrzycki, Lukasz; Cyrański, Michał K; Derzsi, Mariana; Grochala, Wojciech

    2012-01-14

    High purity samples of a [Ag(pyrazine)(2)]S(2)O(8) complex were obtained using modified synthetic pathways. Di(pyrazine)silver(II) peroxydisulfate is sensitive to moisture forming [Ag(pyrazine)(2)](S(2)O(8))(H(2)O) hydrate which degrades over time yielding HSO(4)(-) derivatives and releasing oxygen. One polymorphic form of pyrazinium hydrogensulfate, β-(pyrazineH(+))(HSO(4)(-)), is found among the products of chemical decomposition together with unique [Ag(i)(pyrazine)](5)(H(2)O)(2)(HSO(4))(2)[H(SO(4))(2)]. Chemical degradation of [Ag(pyrazine)(2)]S(2)O(8) in the presence of trace amounts of moisture can explain the very low yield of wet synthesis (11-15%). Attempts have failed to obtain a mixed valence Ag(II)/Ag(I) pyrazine complex via partial chemical reduction of the [Ag(pyrazine)(2)]S(2)O(8) precursor with a variety of inorganic and organic reducing agents, or via controlled thermal decomposition. Thermal degradation of [Ag(pyrazine)(2)]S(2)O(8) containing occluded water proceeds at T > 90 °C via evolution of O(2); simultaneous release of pyrazine and SO(3) is observed during the next stages of thermal decomposition (120-285 °C), while Ag(2)SO(4) and Ag are obtained upon heating to 400-450 °C.

  19. Small-Scale Terrorist Attacks Using Chemical and Biological Agents: An Assessment Framework and Preliminary Comparisons

    Science.gov (United States)

    2004-05-20

    ameliorate or prevent symptoms is a primary concern in treating chemical casualties. This factor is essential to defusing the impact of a chemical...Research Aflatoxins O — + + O Weapon Clostridium botulinum toxins + + O — O Weapon Saxitoxin — + + O O Research Tetrodotoxin — + O — O Unknown...a very toxic compound found in castor beans. During the production of castor oil , bean mash with a 5 percent ricin content is produced. Recipes for

  20. Influence of complexing agent on the growth of chemically deposited Ni3Pb2S2 thin films

    Directory of Open Access Journals (Sweden)

    Ho Soonmin

    2014-09-01

    Full Text Available Ni3Pb2S2 thin films were prepared by chemical bath deposition method. Here, the objective of this research was to investigate the influence of complexing agent on the properties of films.These films were characterized using atomic force microscopy, UV-Visible spectro photometer and X-ray diffraction. It was found that, as the concentration of tartaric acid increased, film thickness increased, but, the band gap reduced. For the films prepared using 0.1M of tartaric acid, the films were uniform and completely covered the substrates.

  1. Chemical and biological properties of toxic metals and use of chelating agents for the pharmacological treatment of metal poisoning

    Energy Technology Data Exchange (ETDEWEB)

    Sinicropi, Maria Stefania; Caruso, Anna [University of Calabria, Department of Pharmaceutical Sciences, Rende (Italy); Amantea, Diana [University of Calabria, Department of Pharmacobiology, Rende (Italy); Saturnino, Carmela [University of Salerno, Department of Pharmaceutical Sciences, Fisciano (Italy)

    2010-07-15

    Exposure to toxic metals is a well-known problem in industrialized countries. Metals interfere with a number of physiological processes, including central nervous system (CNS), haematopoietic, hepatic and renal functions. In the evaluation of the toxicity of a particular metal it is crucial to consider many parameters: chemical forms (elemental, organic or inorganic), binding capability, presence of specific proteins that selectively bind metals, etc. Medical treatment of acute and chronic metal toxicity is provided by chelating agents, namely organic compounds capable of interacting with metal ions to form structures called chelates. The present review attempts to provide updated information about the mechanisms, the cellular targets and the effects of toxic metals. (orig.)

  2. Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies and ab Initio Metadynamics Simulation.

    Science.gov (United States)

    Pollet, Rodolphe; Bonnet, Célia S; Retailleau, Pascal; Durand, Philippe; Tóth, Éva

    2017-03-27

    The proton-exchange process between water and a carbamate has been studied experimentally and theoretically in a lanthanide-based paramagnetic chemical exchange saturation transfer agent endowed with potential multimodality detection capabilities (optical imaging, or T1 MRI for the Gd(III) analogue). In addition to an in-depth structural analysis by a combined approach (using X-ray crystallography, NMR, and molecular dynamics), our ab initio simulation in aqueous solution sheds light on the reaction mechanism for this proton exchange, which involves structural Grotthuss diffusion.

  3. Mechanism of Generation of Therapy Related Leukemia in Response to Anti-Topoisomerase II Agents

    Directory of Open Access Journals (Sweden)

    Ian G. Cowell

    2012-05-01

    Full Text Available Type II DNA topoisomerases have the ability to generate a transient DNA double-strand break through which a second duplex can be passed; an activity essential for DNA decatenation and unknotting. Topoisomerase poisons stabilize the normally transient topoisomerase-induced DSBs and are potent and widely used anticancer drugs. However, their use is associated with therapy-related secondary leukemia, often bearing 11q23 translocations involving the MLL gene. We will explain recent discoveries in the fields of topoisomerase biology and transcription that have consequences for our understanding of the etiology of leukemia, especially therapy-related secondary leukemia and describe how these findings may help minimize the occurrence of these neoplasias.

  4. Palladium(II Complexes of NS Donor Ligands Derived from Steroidal Thiosemicarbazones as Antibacterial Agents

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2010-07-01

    Full Text Available We have investigated the antibacterial activity of some new steroidal thiosemicarbazones and their Pd(II metal complexes were prepared by the reaction of the thiosemicarbazones with [Pd(DMSO2Cl2]. The steroidal thiosemicarbazones were prepared by the reaction of thiosemicarbazides with a steroidal ketone. The structures of these compounds were elucidated by IR, 1H-NMR, 13C-NMR, FAB mass spectroscopic methods, elemental analyses and TGA analysis. The antibacterial activity of these compounds were tested in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria. The results showed that steroidal complexes are better inhibitors of both types of the bacteria (Gram-positive and Gram-negative as compared to steroidal thiosemicarbazones. Compound Ia displays remarkable antibacterial activity as compared to amoxicillin.

  5. Preparation and Performance of an Adsorption Type Gel Plugging Agent as Enhanced Oil Recovery Chemical

    Directory of Open Access Journals (Sweden)

    Xiaoping Qin

    2015-01-01

    Full Text Available A novel adsorption type gel plugging agent (ATGPA was prepared using acrylamide (AM, acrylic acid (AA, diallyl dimethyl ammonium chloride (DMDAAC, 2-acrylamido-2-methylpropanesulfonate (AMPS, formaldehyde (HCHO, resorcinol (C6H6O2, and thiocarbamide (CH4N2S as raw materials under mild conditions. ATGPA was characterized by infrared (IR spectroscopy, elemental analysis, and scanning electron microscope (SEM. It was found that ATGPA exhibited higher elastic modulus (G′ and viscous modulus (G′′ than AM/AA gel plugging agent (AAGPA under the same scanning frequency. It was also found that ATGPA had moderate temperature resistance and salt tolerance. Core plugging tests results indicated that ATGPA could achieve up to higher plugging rate (PR than AAGPA (97.2% versus 95.7% at 65°C. In addition, ATGPA possessed stronger antiscouring ability by core plugging experiments at 65°C.

  6. Application and appreciation of chemical sand fixing agent-poly (aspartic acid) and its composites

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jun; Cao Hui; Wang Fang [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, Beijing 100029 (China); Tan Tianwei [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, Beijing 100029 (China)], E-mail: twtan@mail.buct.edu.cn

    2007-12-15

    The sand fixing agent-poly (aspartic acid) (PASP) and its composites were applied in the field by two forms (spraying around by PASP solution and PASP powder directly). It was found that the sand fixing effect in powder form was not as good as in solution form, but it was more practical in dry region. It needed 9, 6 and 7 days for PASP, xanthan gum-PASP (X2) and ethyl cellulose-PASP (E3) to attain the maximal mechanical strength after they were applied, respectively. The sand fixing effect decreased when the material was subjected to repeated hydration-dehydration cycles and the material had no negative influence on plant growth. The PASP and its composites had water-retaining ability and could reduce the water evaporation. - The sand fixing agent was applied in powder form and it had no negative influence on plant growth.

  7. Chemical functionalization and stabilization of type I collagen with organic tanning agents

    Energy Technology Data Exchange (ETDEWEB)

    Albu, Madalina Georgiana; Deselnicu, Viorica; Ioannidis, Ioannis; Deselnicu, Dana; Chelaru, Ciprian [Leather and Footwear Research Institute, Bucharest (Romania)

    2015-02-15

    We investigated the interactions between selected organic tanning agents and type I fibrillar collagen as a model fibrillar substrate to enable the fast direct evaluation and validation of interpretations of tanning activity. Type I fibrillar collagen (1%) as gel was used as substrate of tanning and tannic acid, resorcinol- and melamine-formaldehyde and their combination at three concentrations as crosslinking agents (tannins). To evaluate the stability of collagen during tanning, the crosslinked gels at 2.8, 4.5 and 9.0 pHs were freeze-dried as discs which were characterized by FTIR, shrinkage temperature, enzymatic degradation and optical microscopy, and the results were validated by statistical analyses. The best stability was given by combinations between resorcinol- and melamine-formaldehyde at isoelectric pH.

  8. Prophage induction in Haemophilus influenzae and its relationship to mutation by chemical and physical agents

    Energy Technology Data Exchange (ETDEWEB)

    Balganesh, M.; Setlow, J.K. (Brookhaven National Lab., Upton, NY (USA))

    1984-01-01

    It is known that UV, X-rays, MMC and MMS are not mutagenic for H. influenzae, whereas HZ, EMS and MNNG are potent mutagens for this bacterium. All of these agents, however, are known to be both mutagenic and able to induce prophage in E. coli. We report here that all the agents except HZ induce prophage in H. influenzae, and EMS even induces in the recombination-defective recl mutant, which is non-inducible by UV, MMC, MNNG and MMS. MMS did not cause single-strand breaks or gaps in DNA synthesized after treatment of H. influenzae, but EMS and MNNG produced them. EMS caused more breaks in DNA synthesized before treatment than in that synthesized after treatment. On the other hand we did observe such breaks or gaps induced in E. coli in DNA synthesized posttreatment by EMS as well as by MMS and MNNG, at comparable survival levels.

  9. Development of the HS-SPME-GC-MS/MS method for analysis of chemical warfare agent and their degradation products in environmental samples.

    Science.gov (United States)

    Nawała, Jakub; Czupryński, Krzysztof; Popiel, Stanisław; Dziedzic, Daniel; Bełdowski, Jacek

    2016-08-24

    After World War II approximately 50,000 tons of chemical weapons were dumped in the Baltic Sea by the Soviet Union under the provisions of the Potsdam Conference on Disarmament. These dumped chemical warfare agents still possess a major threat to the marine environment and to human life. Therefore, continue monitoring of these munitions is essential. In this work, we present the application of new solid phase microextraction fibers in analysis of chemical warfare agents and their degradation products. It can be concluded that the best fiber for analysis of sulfur mustard and its degradation products is butyl acrylate (BA), whereas for analysis of organoarsenic compounds and chloroacetophenone, the best fiber is a co-polymer of methyl acrylate and methyl methacrylate (MA/MMA). In order to achieve the lowest LOD and LOQ the samples should be divided into two subsamples. One of them should be analyzed using a BA fiber, and the second one using a MA/MMA fiber. When the fast analysis is required, the microextraction should be performed by use of a butyl acrylate fiber because the extraction efficiency of organoarsenic compounds for this fiber is acceptable. Next, we have elaborated of the HS-SPME-GC-MS/MS method for analysis of CWA degradation products in environmental samples using laboratory obtained fibers The analytical method for analysis of organosulfur and organoarsenic compounds was optimized and validated. The LOD's for all target chemicals were between 0.03 and 0.65 ppb. Then, the analytical method developed by us, was used for the analysis of sediment and pore water samples from the Baltic Sea. During these studies, 80 samples were analyzed. It was found that 25 sediments and 5 pore water samples contained CWA degradation products such as 1,4-dithiane, 1,4-oxathiane or triphenylarsine, the latter being a component of arsine oil. The obtained data is evidence that the CWAs present in the Baltic Sea have leaked into the general marine environment.

  10. Physico-chemical properties and toxic effect of fruit-ripening agent calcium carbide

    OpenAIRE

    Mohammad Asif

    2012-01-01

    Ripening is the final stage of the maturation process, when the fruit changes color, softens and develops the flavor, texture and aroma that constitute optimum eating quality. This study was conducted to discuss the use of unsatisfactory calcium carbide to ripen fruits for domestic markets as well as their toxic effects on human health. The commonly used ripening agents are calcium carbide, acetylene, ethylene, propylene, ethrel (2-chloroethyl phosphonic acid), glycol, ethanol and some other ...

  11. Enzymatic Neutralization of the Chemical Warfare Agent VX: Evolution of Phosphotriesterase for Phosphorothiolate Hydrolysis

    OpenAIRE

    Bigley, Andrew N.; Xu, Chengfu; Henderson, Terry J.; Steven P. Harvey; Raushel, Frank M.

    2013-01-01

    The V-type nerve agents (VX and VR) are among the most toxic substances known. The high toxicity and environmental persistence of VX makes the development of novel decontamination methods particularly important. The enzyme phosphotriesterase (PTE) is capable of hydrolyzing VX but with an enzymatic efficiency more than 5-orders of magnitude lower than with its best substrate, paraoxon. PTE has previously proven amenable to directed evolution for the improvement of catalytic activity against se...

  12. Root Canal Irrigation: Chemical Agents and Plant Extracts Against Enterococcus faecalis

    Science.gov (United States)

    Borzini, Letizia; Condò, Roberta; De Dominicis, Paolo; Casaglia, Adriano; Cerroni, Loredana

    2016-01-01

    Background: There are various microorganisms related to intra and extra-radicular infections and many of these are involved in persistent infections. Bacterial elimination from the root canal is achieved by means of the mechanical action of instruments and irrigation as well as the antibacterial effects of the irrigating solutions. Enterococcus faecalis can frequently be isolated from root canals in cases of failed root canal treatments. Antimicrobial agents have often been developed and optimized for their activity against endodontic bacteria. An ideal root canal irrigant should be biocompatible, because of its close contact with the periodontal tissues during endodontic treatment. Sodium hypoclorite (NaOCl) is one of the most widely recommended and used endodontic irrigants but it is highly toxic to periapical tissues. Objectives: To analyze the literature on the chemotherapeutic agent and plant extracts studied as root canal irrigants. In particularly, the study is focused on their effect on Enterococcus faecalis. Method: Literature search was performed electronically in PubMed (PubMed Central, MEDLINE) for articles published in English from 1982 to April 2015. The searched keywords were “endodontic irrigants” and “Enterococcus faecalis” and “essential oil” and “plant extracts”. Results: Many of the studied chemotherapeutic agents and plant extracts have shown promising results in vitro. Conclusion: Some of the considered phytotherapic substances, could be a potential alternative to NaOCl for the biomechanical treatment of the endodontic space. PMID:28217184

  13. Effect of therapeutic chemical agents in vitro and on experimental meningoencephalitis due to Naegleria fowleri.

    Science.gov (United States)

    Kim, Jong-Hyun; Jung, Suk-Yul; Lee, Yang-Jin; Song, Kyoung-Ju; Kwon, Daeho; Kim, Kyongmin; Park, Sun; Im, Kyung-Il; Shin, Ho-Joon

    2008-11-01

    Naegleria fowleri is a ubiquitous, pathogenic free-living amoeba; it is the most virulent Naegleria species and causes primary amoebic meningoencephalitis (PAME) in laboratory animals and humans. Although amphotericin B is currently the only agent available for the treatment of PAME, it is a very toxic antibiotic and may cause many adverse effects on other organs. In order to find other potentially therapeutic agents for N. fowleri infection, the present study was undertaken to evaluate the in vitro and in vivo efficacies of miltefosine and chlorpromazine against pathogenic N. fowleri. The result showed that the growth of the amoeba was effectively inhibited by treatment with amphotericin B, miltefosine, and chlorpromazine. When N. fowleri trophozoites were treated with amphotericin B, miltefosine, and chlorpromazine, the MICs of the drug were 0.78, 25, and 12.5 microg/ml, respectively, on day 2. In experimental meningoencephalitis of mice that is caused by N. fowleri, the survival rates of mice treated with amphotericin B, miltefosine, and chlorpromazine were 40, 55, and 75%, respectively, during 1 month. The average mean time to death for the amphotericin B, miltefosine, and chlorpromazine treatments was 17.9 days. In this study, the effect of drugs was found to be optimal when 20 mg/kg was administered three times on days 3, 7, and 11. Finally, chlorpromazine had the best therapeutic activity against N. fowleri in vitro and in vivo. Therefore, it may be a more useful therapeutic agent for the treatment of PAME than amphotericin B.

  14. Marinopyrrole Derivatives as Potential Antibiotic Agents against Methicillin-Resistant Staphylococcus aureus (II

    Directory of Open Access Journals (Sweden)

    Rongshi Li

    2013-08-01

    Full Text Available Methicillin-resistant Staphylococcus aureus (MRSA continues to be a major problem, causing severe and intractable infections worldwide. MRSA is resistant to all beta-lactam antibiotics, and alternative treatments are limited. A very limited number of new antibiotics have been discovered over the last half-century, novel agents for the treatment of MRSA infections are urgently needed. Marinopyrrole A was reported to show antibiotic activity against MRSA in 2008. After we reported the first total synthesis of (±-marinopyrrole A, we designed and synthesized a series of marinopyrrole derivatives. Our structure activity relationship (SAR studies of these novel derivatives against a panel of Gram-positive pathogens in antibacterial assays have revealed that a para-trifluoromethyl analog (33 of marinopyrrole A is ≥63-, 8-, and 4-fold more potent than vancomycin against methicillin-resistant Staphylococcus epidermidis (MRSE, methicillin-susceptible Staphylococcus aureus (MSSA and MRSA, respectively. The results provide valuable information in the search for new-generation antibiotics.

  15. The function of Sn(II)-apatite as a Tc immobilizing agent

    Science.gov (United States)

    Asmussen, R. Matthew; Neeway, James J.; Lawter, Amanda R.; Levitskaia, Tatiana G.; Lukens, Wayne W.; Qafoku, Nikolla P.

    2016-11-01

    At the U.S. Department of Energy Hanford Site, Tc-99 is a component of low-activity waste (LAW) fractions of the nuclear tank waste and removal of Tc from LAW streams would greatly benefit the site remediation process. In this study, we investigated the removal of Tc(VII), as pertechnetate, from deionized water (DIW) and a LAW simulant through batch sorption testing and solid phase characterization using tin (II) apatite (Sn-A) and SnCl2. Sn-A showed higher levels of Tc removal from both DIW and LAW simulant. Scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/XEDS) and X-ray absorption spectroscopy (XAS) of reacted Sn-A in DIW showed that TcO4- is reduced to Tc(IV) on the Sn-A surface. The performance of Sn-A in the LAW simulant was lowered due to a combined effect of the high alkalinity, which lead to an increased dissolution of Sn from the Sn-A, and a preference for the reduction of Cr(VI).

  16. The function of Sn(II)-apatite as a Tc immobilizing agent

    Energy Technology Data Exchange (ETDEWEB)

    Asmussen, R. Matthew; Neeway, James J.; Lawter, Amanda R.; Levitskaia, Tatiana G.; Lukens, Wayne W.; Qafoku, Nikolla P.

    2016-11-01

    Technetium-99 is a radioactive contaminant of high concern at many nuclear waste storage sites. At the U.S. Department of Energy Hanford Site, 99Tc is a component of low-activity waste (LAW) fractions of the nuclear tank waste, which are highly caustic, high ionic strength and have high concentrations of chromate. Removal of 99Tc from LAW streams would greatly benefit the site remediation process. In this study, we investigated the removal of 99Tc(VII), as pertechnetate, from deionized water (DIW) and a LAW simulant using two solid sorbents, tin (II) apatite (Sn-A) and SnCl2 through batch sorption testing and solid phase characterization. Sn-A showed higher levels of removal of Tc from both DIW and LAW simulant compared with the SnCl2. Scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/XEDS) and X-ray adsorption spectroscopy (XAS) of Sn-A following batch experiments in DIW showed that TcO4- is reduced to Tc(IV) on the Sn-A surface with no incorporation into the lattice structure of Sn-A. The performance of Sn-A in the LAW simulant was lowered due to a combined effect of the high alkalinity, which lead to an increased dissolution of Sn from the Sn-A, and a preference for the reduction of Cr(VI) over Tc(VII).

  17. Keeping pace with ACE: are ACE inhibitors and angiotensin II type 1 receptor antagonists potential doping agents?

    Science.gov (United States)

    Wang, Pei; Fedoruk, Matthew N; Rupert, Jim L

    2008-01-01

    activity or block the action of angiotensin II, the question is relevant to the study of ergogenic agents and to the efforts to rid sports of 'doping'. This article discusses the possibility that ACE inhibitors and ARBs, by virtue of their effects on ACE or angiotensin II function, respectively, have performance-enhancing capabilities; it also reviews the data on the effects of these medications on VO2max, muscle composition and endurance capacity in patient and non-patient populations. We conclude that, while the direct evidence supporting the hypothesis that ACE-related medications are potential doping agents is not compelling, there are insufficient data on young, athletic populations to exclude the possibility, and there is ample, albeit indirect, support from genetic studies to suggest that they should be. Unfortunately, given the history of drug experimentation in athletes and the rapid appropriation of therapeutic agents into the doping arsenal, this indirect evidence, coupled with the availability of ACE-inhibiting and ACE-receptor blocking medications may be sufficiently tempting to unscrupulous competitors looking for a shortcut to the finish line.

  18. Chemical Agent Performance of Sulfonated Ionomeric Membranes for Chem/Bio Applications

    Science.gov (United States)

    2008-12-01

    Polyisobutylene ( PIB ) Chemically Modified IB Sulfonic Acid Counter-ion (Ba, Mg, Ca, Zn, Cs)Block Copolymer Morphology Sulfonic acid...Mauritz, K., 2000: Diffusion of Alcohols Through Sulfonated PS/ PIB /PS Block Copolymers Using FTIR-ATR Spectroscopy, Polymer Materials: Engineering

  19. Ionic Liquids as Solvent, Catalyst Support Chemical Agent Decontamination and Detoxification

    Science.gov (United States)

    2004-12-15

    Anastas , P. T.; Warner, J. C. Green Chemistry: Theory and Practice; Oxford University Press: Oxford, 1998. (27) Zhang, S. G.; Zhang, Z. C. Green...31) Owens, G. S.; Abu-Omar, M. M. J. Mol. Catal. A-Chemical. 2002, 187, 215-225. (32) Anastas , P. T. Green Chem. 2003, 5, G29-G34. (33) Currie, F

  20. Bridging the gap between sample collection and laboratory analysis: using dried blood spots to identify human exposure to chemical agents

    Science.gov (United States)

    Hamelin, Elizabeth I.; Blake, Thomas A.; Perez, Jonas W.; Crow, Brian S.; Shaner, Rebecca L.; Coleman, Rebecca M.; Johnson, Rudolph C.

    2016-05-01

    Public health response to large scale chemical emergencies presents logistical challenges for sample collection, transport, and analysis. Diagnostic methods used to identify and determine exposure to chemical warfare agents, toxins, and poisons traditionally involve blood collection by phlebotomists, cold transport of biomedical samples, and costly sample preparation techniques. Use of dried blood spots, which consist of dried blood on an FDA-approved substrate, can increase analyte stability, decrease infection hazard for those handling samples, greatly reduce the cost of shipping/storing samples by removing the need for refrigeration and cold chain transportation, and be self-prepared by potentially exposed individuals using a simple finger prick and blood spot compatible paper. Our laboratory has developed clinical assays to detect human exposures to nerve agents through the analysis of specific protein adducts and metabolites, for which a simple extraction from a dried blood spot is sufficient for removing matrix interferents and attaining sensitivities on par with traditional sampling methods. The use of dried blood spots can bridge the gap between the laboratory and the field allowing for large scale sample collection with minimal impact on hospital resources while maintaining sensitivity, specificity, traceability, and quality requirements for both clinical and forensic applications.

  1. Evaluation of some microbial agents, natural and chemical compounds for controlling tomato leaf miner, Tuta absoluta (Meyrick (Lepidoptera: Gelechiidae

    Directory of Open Access Journals (Sweden)

    Abd El-Ghany Nesreen M.

    2016-12-01

    Full Text Available Solanaceous plants have a great economic impact in Egypt. These groups of plants include potatoes, tomatoes and eggplants. The new invasive pest of tomatoes, Tuta absoluta (Meyrick causes the greatest crop losses which can range from 60 to 100%. After its detection in Egypt during the last half of 2009, it spread quickly to all provinces in the country. We aiming to propose a sustainable control program for this devastating pest. In this research we tested three groups of control agents. The first was microbial and natural, the second - plant extracts and the third - chemical insecticides. Our results showed that the impact of T. absoluta can be greatly reduced by the use of sustainable control measures represented by different insecticide groups. Bioassay experiments showed that this devastating pest can be controlled with some compounds that give high mortality rates. Of these compounds, spinosad and Beauveria bassiana, microbial control agents, followed by azadirachtin, gave the best results in controlling T. absoluta. Of the chemical insecticides, lambda-cyhalotrin was the most effective, followed by lufenuron and profenofos. In conclusion we encourage farmers to use microbial and natural control measures in combating the tomato leafminer, T. absoluta, in Integrated Pest Mangement (IPM programs.

  2. [Validation of measurement methods and estimation of uncertainty of measurement of chemical agents in the air at workstations].

    Science.gov (United States)

    Dobecki, Marek

    2012-01-01

    This paper reviews the requirements for measurement methods of chemical agents in the air at workstations. European standards, which have a status of Polish standards, comprise some requirements and information on sampling strategy, measuring techniques, type of samplers, sampling pumps and methods of occupational exposure evaluation at a given technological process. Measurement methods, including air sampling and analytical procedure in a laboratory, should be appropriately validated before intended use. In the validation process, selected methods are tested and budget of uncertainty is set up. The validation procedure that should be implemented in the laboratory together with suitable statistical tools and major components of uncertainity to be taken into consideration, were presented in this paper. Methods of quality control, including sampling and laboratory analyses were discussed. Relative expanded uncertainty for each measurement expressed as a percentage, should not exceed the limit of values set depending on the type of occupational exposure (short-term or long-term) and the magnitude of exposure to chemical agents in the work environment.

  3. Ionization mechanism of the ambient pressure pyroelectric ion source (APPIS) and its applications to chemical nerve agent detection.

    Science.gov (United States)

    Neidholdt, Evan L; Beauchamp, J L

    2009-11-01

    We present studies of the ionization mechanism operative in the ambient pressure pyroelectric ionization source (APPIS), along with applications that include detection of simulants for chemical nerve agents. It is found that ionization by APPIS occurs in the gas-phase. As the crystal is thermally cycled over a narrow temperature range, electrical discharges near the surface of the crystal produce energetic species which, through reactions with atmospheric molecules, result in reactant ions such as protonated water clusters or clusters of hydroxide and water. Reactant ions can be observed directly in the mass spectrometer. These go on to react with trace neutrals via proton transfer reactions to produce the ions observed in mass spectra, which are usually singly protonated or deprotonated species. Further implicating gas-phase ionization, observed product distributions are highly dependent on the composition of ambient gases, especially the concentration of water vapor and oxygen surrounding the source. For example, basic species such as triethylamine are observed as singly protonated cations at a water partial pressure of 10 torr. At a water pressure of 4 torr, reactive oxygen species are formed and lead to observation of protonated amine oxides. The ability of the APPIS source to detect basic molecules with high proton affinities makes it highly suited for the detection of chemical nerve agents. We demonstrate this application using simulants corresponding to VX and GA (Tabun). With the present source configuration pyridine is detected readily at a concentration of 4 ppm, indicating ultimate sensitivity in the high ppb range.

  4. In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-Based Metal Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Plonka, Anna M.; Wang, Qi; Gordon, Wesley O.; Balboa, Alex; Troya, Diego; Guo, Weiwei; Sharp, Conor H.; Senanayake, Sanjaya D.; Morris, John R.; Hill, Craig L.; Frenkel, Anatoly I.

    2017-01-18

    Zr-based metal organic frameworks (MOFs) have been recently shown to be among the fastest catalysts of nerve-agent hydrolysis in solution. We report a detailed study of the adsorption and decomposition of a nerve-agent simulant, dimethyl methylphosphonate (DMMP), on UiO-66, UiO-67, MOF-808, and NU-1000 using synchrotron-based X-ray powder diffraction, X-ray absorption, and infrared spectroscopy, which reveals key aspects of the reaction mechanism. The diffraction measurements indicate that all four MOFs adsorb DMMP (introduced at atmospheric pressures through a flow of helium or air) within the pore space. In addition, the combination of X-ray absorption and infrared spectra suggests direct coordination of DMMP to the Zr6 cores of all MOFs, which ultimately leads to decomposition to phosphonate products. These experimental probes into the mechanism of adsorption and decomposition of chemical warfare agent simulants on Zr-based MOFs open new opportunities in rational design of new and superior decontamination materials.

  5. Protective effect of conditioning agents on Afro-ethnic hair chemically treated with thioglycolate-based straightening emulsion.

    Science.gov (United States)

    Dias, Tania Cristina de Sá; Baby, André Rolim; Kaneko, Telma Mary; Velasco, Maria Valéria Robles

    2008-06-01

    Straightening is a chemical process by which excessively curly hair is straightened in an irreversible way. Generally, products are formulated as emulsions with high pH value (9.0-12.0), which, after applied on hair, cause considerable damage, making it dry and fragile. This research work evaluated the protective effect of lauryl PEG/PPG-18/18 methicone, cyclopentasiloxane (and) PEG-12 dimethicone cross-polymer, jojoba oil, and aqua (and) cystine bis-PG propyl silanetriol, as conditioning agents, on Afro-ethnic hair locks treated with thioglycolate-based straightening emulsions by protein loss, combability, and traction to rupture. Standard Afro-ethnic hair locks were prepared following a protocol for straightening emulsion application. Considering the assays performed, the addition of conditioning agents to the straightening emulsion with ammonium thioglycolate benefited the hair fiber, thus diminishing protein loss, protecting the hair thread, and improving resistance to breakage. Jojoba oil and lauryl PEG/PPG-18/18 methicone were the conditioning agents that presented the best results. Straightening emulsions with ammonium thioglycolate containing aqua (and) cystine bis-PG propyl silanetriol and cyclopentasiloxane (and) PEG-12 dimethicone cross-polymer were the ones that provided higher breakage resistance of the thread.

  6. Efficient hydrolysis of the chemical warfare nerve agent tabun by recombinant and purified human and rabbit serum paraoxonase 1.

    Science.gov (United States)

    Valiyaveettil, Manojkumar; Alamneh, Yonas; Biggemann, Lionel; Soojhawon, Iswarduth; Doctor, Bhupendra P; Nambiar, Madhusoodana P

    2010-12-03

    Paraoxonase 1 (PON1) has been described as an efficient catalytic bioscavenger due to its ability to hydrolyze organophosphates (OPs) and chemical warfare nerve agents (CWNAs). It is the future most promising candidate as prophylactic medical countermeasure against highly toxic OPs and CWNAs. Most of the studies conducted so far have been focused on the hydrolyzing potential of PON1 against nerve agents, sarin, soman, and VX. Here, we investigated the hydrolysis of tabun by PON1 with the objective of comparing the hydrolysis potential of human and rabbit serum purified and recombinant human PON1. The hydrolysis potential of PON1 against tabun, sarin, and soman was evaluated by using an acetylcholinesterase (AChE) back-titration Ellman method. Efficient hydrolysis of tabun (100 nM) was observed with ∼25-40 mU of PON1, while higher concentration (80-250 mU) of the enzyme was required for the complete hydrolysis of sarin (11 nM) and soman (3 nM). Our data indicate that tabun hydrolysis with PON1 was ∼30-60 times and ∼200-260 times more efficient than that with sarin and soman, respectively. Moreover, the catalytic activity of PON1 varies from source to source, which also reflects their efficiency of hydrolyzing different types of nerve agents. Thus, efficient hydrolysis of tabun by PON1 suggests its promising potential as a prophylactic treatment against tabun exposure.

  7. Using Metal Complex Ion-Molecule Reactions in a Miniature Rectilinear Ion Trap Mass Spectrometer to Detect Chemical Warfare Agents

    Science.gov (United States)

    Graichen, Adam M.; Vachet, Richard W.

    2013-06-01

    The gas-phase reactions of a series of coordinatively unsaturated [Ni(L)n]y+ complexes, where L is a nitrogen-containing ligand, with chemical warfare agent (CWA) simulants in a miniature rectilinear ion trap mass spectrometer were investigated as part of a new approach to detect CWAs. Results show that upon entering the vacuum system via a poly(dimethylsiloxane) (PDMS) membrane introduction, low concentrations of several CWA simulants, including dipropyl sulfide (simulant for mustard gas), acetonitrile (simulant for the nerve agent tabun), and diethyl phosphite (simulant for nerve agents sarin, soman, tabun, and VX), can react with metal complex ions generated by electrospray ionization (ESI), thereby providing a sensitive means of detecting these compounds. The [Ni(L)n]2+ complexes are found to be particularly reactive with the simulants of mustard gas and tabun, allowing their detection at low parts-per-billion (ppb) levels. These detection limits are well below reported exposure limits for these CWAs, which indicates the applicability of this new approach, and are about two orders of magnitude lower than electron ionization detection limits on the same mass spectrometer. The use of coordinatively unsaturated metal complexes as reagent ions offers the possibility of further tuning the ion-molecule chemistry so that desired compounds can be detected selectively or at even lower concentrations.

  8. Enzymatic neutralization of the chemical warfare agent VX: evolution of phosphotriesterase for phosphorothiolate hydrolysis.

    Science.gov (United States)

    Bigley, Andrew N; Xu, Chengfu; Henderson, Terry J; Harvey, Steven P; Raushel, Frank M

    2013-07-17

    The V-type nerve agents (VX and VR) are among the most toxic substances known. The high toxicity and environmental persistence of VX make the development of novel decontamination methods particularly important. The enzyme phosphotriesterase (PTE) is capable of hydrolyzing VX but with an enzymatic efficiency more than 5 orders of magnitude lower than with its best substrate, paraoxon. PTE has previously proven amenable to directed evolution for the improvement of catalytic activity against selected compounds through the manipulation of active-site residues. Here, a series of sequential two-site mutational libraries encompassing 12 active-site residues of PTE was created. The libraries were screened for catalytic activity against a new VX analogue, DEVX, which contains the same thiolate leaving group of VX coupled to a diethoxyphosphate core rather than the ethoxymethylphosphonate core of VX. The evolved catalytic activity with DEVX was enhanced 26-fold relative to wild-type PTE. Further improvements were facilitated by targeted error-prone PCR mutagenesis of loop-7, and additional PTE variants were identified with up to a 78-fold increase in the rate of DEVX hydrolysis. The best mutant hydrolyzed the racemic nerve agent VX with a value of kcat/Km = 7 × 10(4) M(-1) s(-1), a 230-fold improvement relative to wild-type PTE. The highest turnover number achieved by the mutants created for this investigation was 137 s(-1), an enhancement of 152-fold relative to wild-type PTE. The stereoselectivity for the hydrolysis of the two enantiomers of VX was relatively low. These engineered mutants of PTE are the best catalysts ever reported for the hydrolysis of nerve agent VX.

  9. Chemical and biological effects of heavy distillate recycle in the SRC-II process

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, B.W.; Pelroy, R.A.; Anderson, R.P.; Freel, J.

    1983-12-01

    Recent work from the Merriam Laboratory continuous coal liquefaction units shows that heavy distillate from the SRC-II process can be recycled to extinction, and hence a distillate product boiling entirely below 310/sup 0/C (590/sup 0/F) (or other selected boiling points) is feasible. In these runs distillate yield was not reduced; gas make was unaffected; and hydrogen consumption was increased only slightly, in keeping with the generally higher hydrogen content of lighter end products. Total distillate yield (C/sub 5/-590/sup 0/F) was 56 wt %, MAF coal in runs with subbituminous coal from the Amax Belle Ayr mine. Product endpoint is well below 371/sup 0/C (700/sup 0/F), the temperature above which coal distillates appear to become genotoxic; and the product was shown to be free of mutagenic activity in the Ames test. Chemical analyses showed both the < 270/sup 0/C (< 518/sup 0/F) and the < 310/sup 0/C (< 590/sup 0/F) distillates to be essentially devoid of several reference polycyclic compounds known to be carcinogenic in laboratory animals. Tests for tumorigenic or carcinogenic activity were not carried out on these materials. However, a comparison of chemical data from the Merriam heavy distillate samples with data on the other SRC-II distillates where carcinogenesis or tumorigenesis data is available leads to the expectation that < 371/sup 0/C (< 700/sup 0/F) materials from the Merriam Laboratory will have greatly reduced tumorigenic and carcinogenic activity in skin painting tests. Other studies suggest the product should be more readily upgraded than full-range (C/sub 5/-900/sup 0/F) distillate.

  10. METHODS ELABORATION ON DETECTION OF SOME ATYPICAL NEUROLYTIC AGENTS FOR CHEMICAL AND TOXICOLOGICAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    I. P. Remezova

    2014-01-01

    Full Text Available It is necessary to elaborate methods of atypical neuroleptic agents detection as individual substances and in different combinations as well for diagnosis of poisoning by some of them: clozapine, risperidone, sertindole, olanzapine, aripiprazole. The purpose of this work is methods elaboration of detection of clozapine, risperidone, sertindole, olanzapine, aripiprazole, haloperidol, oxazepam, carbamazapine using TLC, HPLC and UV spectrophotometry methods. During this work we used tablet forms of clozapine, risperidone, sertindole, olanzapine, aripiprazole. It is possible to use solution systems like ethanol-water-25% ammonia solution (8:1:1, toluolacetone-ethanol-25% ammonia solution (45:45:7.5:2.5, dioxan-chloroform-acetone-25% ammonia solution (47.5:45:5:2.5 for preliminary examination of atypical neuroleptic agents under study in combination with typical neuroleptics and tranquilizers with undirected analysis (general screening. System of solvents ethyl-acetate-chloroform-25% ammonia solution (85:10:5 is recommended to use for individual screening of risperidone, sertindole, olanzapine, haloperidol, benzol-ethanol-25% ammonia solution (50:10:0.5 system to use for clozapine, sertindole, olanzapine. Ethanol-25% ammonia solution (100:1.5 system is reasonable to use for chromatographic clearance of extracts from biological substances under study. We recommend using HPLC method and UV spectrophotometry for carrying out of a principal examination of clozapine, risperidone, sertindole, olanzapine and aripiprazole in case one of the substances under study is determined in the object.

  11. Rain-Induced Wash-Off of Chemical Warfare Agent (VX) from Foliar Surfaces of Living Plants Maintained in a Surety Hood

    Science.gov (United States)

    2016-09-01

    the environment is influenced by their physical and chemical properties as well as ambient meteorological conditions and the environmental material...testing. Physiologically healthy plants were maintained within the chemical agent surety hood environment (Simini et al., 2016). The temperature within... environment . Commanders who have soldiers under battlefield conditions must be armed with functional information for “Go/No-Go” decisions related to

  12. Improving Blood Monitoring of Enzymes as Biomarkers of Risk from Anticholinergic Pesticides and Chemical Warfare Agents

    Science.gov (United States)

    2007-10-01

    One approach would be to use the colorimetric two substrate ( diazinon -oxon and paraoxon) PON1 assay (Richter, et al., 2004, Costa, et al., 2005a...and, its limited usefulness as a test of liver function. J Lab Clin Med 40:692–702. Harris, E.K. (1974). Effects of intra- and interindividual varia...Vorhaus, L.J., II, Scudamore, H.H., Kark, R.M. (1950). Measurement of serum cholinesterase activty in the study of disease of the liver and biliary

  13. Photoassisted reaction of chemical warfare agent VX droplets under UV light irradiation.

    Science.gov (United States)

    Zuo, Guo-Min; Cheng, Zhen-Xing; Li, Guo-Wen; Wang, Lian-Yuan; Chen, Hong

    2005-08-11

    A photoassisted reaction of O-ethyl S-[2-(diisopropylamino) ethyl] methylphosphonothioate (VX) droplets in air was carried out. The experimental results indicated that VX droplets could be easily and chemically transformed into other compounds under irradiation of a germicidal lamp over sufficient time. Quantum chemical calculation results demonstrated that UV light less than 278 nm wavelength could possibly initiate photoreaction of VX and that both P-S and P=O bonds in the VX molecule were lengthened. The identification of reaction products by gas and liquid chromatography mass spectroscopy and NMR revealed that the VX molecule in air under UV light irradiation could undergo isomerization of S-esters to O-esters, cleavage of P-S, S-C, and C-N bonds, and ozonation of tertiary amines.

  14. Infrared differential absorption lidar for stand-off detection of chemical agents

    Indian Academy of Sciences (India)

    A K Razdan; S Veerabuthiran; M K Jindal; R K Sharma

    2014-02-01

    A compact trolley-mounted pulsed transverse electric atmospheric pressure (TEA) carbon dioxide laser-based differential absorption lidar (DIAL) system capable of stand-off detection of chemical clouds in aerosol and vapour form upto about 200 m range in the atmosphere has been developed and assembled at Laser Science and Technology Centre (LASTEC), Delhi. The system was tested successfully with diethyl ether (DEE) (a toxic industrial chemical (TIC)) and differential absorption signals at on (strong absorption, 9R16) and off (weak absorption, 10R26) wavelengths were recorded for stand-off distances upto ∼100 m (open air ground path). This paper discusses the technical details of trolley-mounted CO2 DIAL system and the data generated during the test and evaluation of this sensor using DEE aerosols.

  15. A Review of the Disruptive Potential of Botulinum Neurotoxins as Chemical Warfare Agents

    Science.gov (United States)

    2011-10-01

    dangerous chemical weapon (persistence in vivo, exceedingly high potency, ease of distribution and ease of production) also make it highly...caused by ingestion of botulinum neurotoxin (BoNT) was first described as “ sausage poisoning” in 1820 and attributed to a bacterium in 1897 [1]. We...intoxication of susceptible hosts invariably results in neuromuscular paralysis. The same characteristics that make the BoNTs the most lethal substances

  16. Neutralization of Aerosolized Bio-Agents by Filled Nanocomposite Materials through Thermal and Chemical Inactivation Mechanisms

    Science.gov (United States)

    2016-06-01

    Inorganic chemistry , San Diego, Calif. : Berlin: Academic Press, W. de Gruyter, 2001, p.^pp. 930. S. Zhang; M. Schoenitz; E. L. Dreizin, Journal of...and oxide chemistry , 2013; American Chemical Society: 2013; pp FLUO-22. Z. Doorenbos; J. Puszynski; D. Kapoor in: The effect of particle morphology...Physical Chemistry C 114 (46) (2010a) 19653-19659 10.1021/jp108171k. S. Zhang; M. Schoenitz; E. L. Dreizin, Journal of Physics and Chemistry of Solids 71

  17. Chemical and biological metal nanoparticles as antimycobacterial agents: A comparative study.

    Science.gov (United States)

    Singh, Richa; Nawale, Laxman U; Arkile, Manisha; Shedbalkar, Utkarsha U; Wadhwani, Sweety A; Sarkar, Dhiman; Chopade, Balu A

    2015-08-01

    Resistance among mycobacteria leading to multidrug-resistant and extensively drug-resistant tuberculosis is a major threat. However, nanotechnology has provided new insights in drug delivery and medicine development. This is the first comparative report to determine the activity of chemically and biologically synthesised silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs) against mycobacteria. Screening data revealed the high mycobactericidal efficiency of AgNPs, with minimum inhibitory concentrations (MICs) of therapeutics for tuberculosis.

  18. Assessment of exposure to chemical agents and ergonomic stressors in tanneries in Kanpur, India.

    Science.gov (United States)

    Ory, F G; Rahman, F U; Katagade, V; Shukla, A; Burdorf, A

    1997-10-01

    In developing countries qualitative assessment of exposure at the workplace may be an essential tool in evaluating hazardous working conditions. This survey reports on qualitative assessment of exposure to chemicals, dust, and ergonomic stressors among 298 workers in 15 tanneries in Kanpur, India. In general, chemical exposure and dermal exposure were highest among beamhouse workers, less for workers involved in dry finishing activities, and lowest for those performing the wet finishing of hides. Dermal exposure was rated as high to very high during beamhouse activities, reflecting direct contact with wet hides and manual handling of hides in soak tanks. Relevant dust exposure was observed only during dry finishing activities. Most workers experienced severe postural load due to working in trunk flexion and rotation for more than 50% of their daily work time. In addition, manual materials handling with loads over 20 kg frequently occurred. The size of the tannery, in general a reflection of state of technology, showed no systematic influence on exposure profiles. The survey suggested that mechanization of material transfer and application of trolleys reduced the work time with trunk flexion and rotation and implied less manual lifting. The presence of local exhaust ventilation in large tanneries seemed to reduce the chemical exposure. This survey has demonstrated the importance of rapid appraisal techniques for evaluating hazardous conditions at the workplace. In developing countries this approach may facilitate occupational hygiene research and practice.

  19. Dynamic 3-D chemical agent cloud mapping using a sensor constellation deployed on mobile platforms

    Science.gov (United States)

    Cosofret, Bogdan R.; Konno, Daisei; Rossi, David; Marinelli, William J.; Seem, Pete

    2014-05-01

    The need for standoff detection technology to provide early Chem-Bio (CB) threat warning is well documented. Much of the information obtained by a single passive sensor is limited to bearing and angular extent of the threat cloud. In order to obtain absolute geo-location, range to threat, 3-D extent and detailed composition of the chemical threat, fusion of information from multiple passive sensors is needed. A capability that provides on-the-move chemical cloud characterization is key to the development of real-time Battlespace Awareness. We have developed, implemented and tested algorithms and hardware to perform the fusion of information obtained from two mobile LWIR passive hyperspectral sensors. The implementation of the capability is driven by current Nuclear, Biological and Chemical Reconnaissance Vehicle operational tactics and represents a mission focused alternative of the already demonstrated 5-sensor static Range Test Validation System (RTVS).1 The new capability consists of hardware for sensor pointing and attitude information which is made available for streaming and aggregation as part of the data fusion process for threat characterization. Cloud information is generated using 2-sensor data ingested into a suite of triangulation and tomographic reconstruction algorithms. The approaches are amenable to using a limited number of viewing projections and unfavorable sensor geometries resulting from mobile operation. In this paper we describe the system architecture and present an analysis of results obtained during the initial testing of the system at Dugway Proving Ground during BioWeek 2013.

  20. Chemical Diversity in the Ultra-faint Dwarf Galaxy Tucana II

    CERN Document Server

    Ji, Alexander P; Ezzeddine, Rana; Casey, Andrew R

    2016-01-01

    We present the first detailed chemical abundance study of the ultra-faint dwarf galaxy Tucana II based on high-resolution Magellan/MIKE spectra of four red giant stars. The metallicity of these stars ranges from [Fe/H] = -3.2 to -2.6, and all stars are low in neutron-capture abundances ([Sr/Fe] and [Ba/Fe] < -1). However, a number of anomalous chemical signatures are present. Three stars are carbon-enhanced, including the most metal-rich star. This star ([Fe/H]=-2.6) shows [Na,$\\alpha$,Sc/Fe] < 0, suggesting an extended star formation history with contributions from AGB stars and Type Ia supernovae. The other carbon-enhanced stars have [Fe/H] < -3 and may be consistent with enrichment by faint supernovae, if such supernovae can produce neutron-capture elements. A fourth star with [Fe/H] = -3 is carbon-normal, and exhibits distinct light element abundance ratios from the carbon-enhanced stars. The carbon-normal star implies that at least two distinct nucleosynthesis sources, both possibly associated w...

  1. Decontamination of chemical warfare sulfur mustard agent simulant by ZnO nanoparticles

    Science.gov (United States)

    Sadeghi, Meysam; Yekta, Sina; Ghaedi, Hamed

    2016-07-01

    In this study, zinc oxide nanoparticles (ZnO NPs) have been surveyed to decontaminate the chloroethyl phenyl sulfide as a sulfur mustard agent simulant. Prior to the reaction, ZnO NPs were successfully prepared through sol-gel method in the absence and presence of polyvinyl alcohol (PVA). PVA was utilized as a capping agent to control the agglomeration of the nanoparticles. The formation, morphology, elemental component, and crystalline size of nanoscale ZnO were certified and characterized by SEM/EDX, XRD, and FT-IR techniques. The decontamination (adsorption and destruction) was tracked by the GC-FID analysis, in which the effects of polarity of the media, such as isopropanol, acetone and n-hexane, reaction time intervals from 1 up to 18 h, and different temperatures, including 25, 35, 45, and 55 °C, on the catalytic/decontaminative capability of the surface of ZnO NPs/PVA were investigated and discussed, respectively. Results demonstrated that maximum decontamination (100 %) occurred in n-hexane solvent at 55 °C after 1 h. On the other hand, the obtained results for the acetone and isopropanol solvents were lower than expected. GC-MS chromatograms confirmed the formation of hydroxyl ethyl phenyl sulfide and phenyl vinyl sulfide as the destruction reaction products. Furthermore, these chromatograms proved the role of hydrolysis and elimination mechanisms on the catalyst considering its surface Bronsted and Lewis acid sites. A non-polar solvent aids material transfer to the reactive surface acid sites without blocking these sites.

  2. Sensitive monitoring of volatile chemical warfare agents in air by atmospheric pressure chemical ionization mass spectrometry with counter-flow introduction.

    Science.gov (United States)

    Seto, Yasuo; Kanamori-Kataoka, Mieko; Tsuge, Koichiro; Ohsawa, Isaac; Iura, Kazumitsu; Itoi, Teruo; Sekiguchi, Hiroyuki; Matsushita, Koji; Yamashiro, Shigeharu; Sano, Yasuhiro; Sekiguchi, Hiroshi; Maruko, Hisashi; Takayama, Yasuo; Sekioka, Ryoji; Okumura, Akihiko; Takada, Yasuaki; Nagano, Hisashi; Waki, Izumi; Ezawa, Naoya; Tanimoto, Hiroyuki; Honjo, Shigeru; Fukano, Masumi; Okada, Hidehiro

    2013-03-05

    A new method for sensitively and selectively detecting chemical warfare agents (CWAs) in air was developed using counter-flow introduction atmospheric pressure chemical ionization mass spectrometry (MS). Four volatile and highly toxic CWAs were examined, including the nerve gases sarin and tabun, and the blister agents mustard gas (HD) and Lewisite 1 (L1). Soft ionization was performed using corona discharge to form reactant ions, and the ions were sent in the direction opposite to the airflow by an electric field to eliminate the interfering neutral molecules such as ozone and nitrogen oxide. This resulted in efficient ionization of the target CWAs, especially in the negative ionization mode. Quadrupole MS (QMS) and ion trap tandem MS (ITMS) instruments were developed and investigated, which were movable on the building floor. For sarin, tabun, and HD, the protonated molecular ions and their fragment ions were observed in the positive ion mode. For L1, the chloride adduct ions of L1 hydrolysis products were observed in negative ion mode. The limit of detection (LOD) values in real-time or for a 1 s measurement monitoring the characteristic ions were between 1 and 8 μg/m(3) in QMS instrument. Collision-induced fragmentation patterns for the CWAs were observed in an ITMS instrument, and optimized combinations of the parent and daughter ion pairs were selected to achieve real-time detection with LOD values of around 1 μg/m(3). This is a first demonstration of sensitive and specific real-time detection of both positively and negatively ionizable CWAs by MS instruments used for field monitoring.

  3. Chitosan Membrane as a New Wound Healing Agent on Chemical Wound Model

    Directory of Open Access Journals (Sweden)

    Yuliya A. Tkachenko

    2014-09-01

    Full Text Available Healing of skin defect of any etiology goes through several stages, which are completed or complete restoration of the lost cover, or the formation of scar tissue that covers the injury. Regeneration of the skin is depending on the type of injury, collateral damage, existing diseases such as diabetes, obesity, immune deficiency, including AIDS. At present, in the arsenal of physicians, there are a range of materials – from human skin to materials using tissue engineering technology. However, there is no universal bandage that meets the physician and patient efficacy and pharmaco-economic indicators. Therefore, the development of new materials for local treatment of skin lesions is relevant biomedical problem. The purpose of the work. Identify the characteristics of the regeneration process of the skin after a chemical burn when using chitosan membranes. We have conducted an experiment on 180 male laboratory rats of three age groups. All animals were simulated chemical burn in the interscapular region. The control animals received standard treatment of a series of chemical burns with sterile gauze bandages, which are changed daily. Experimental series of animals for the treatment of skin lesions using chitosan hydrogel, which was applied to the damaged areas with the replacement of film 1 per day. As a result, the application of chitosan dressings observed accelerated cleansing the wound necrosis in animals of young and adult ages and full wound epithelialization till 21 day of observation. Cytological examination showed decreased number of inflammatory cells at the wound surface and increase in the number of macrophages and fibroblasts. These changes had expressed age-related and more pronounced effect in animals of young and adult ages.

  4. Chemical stability of a cold-active cellulase with high tolerance toward surfactants and chaotropic agent

    Directory of Open Access Journals (Sweden)

    Thaís V. Souza

    2016-03-01

    Full Text Available CelE1 is a cold-active endo-acting glucanase with high activity at a broad temperature range and under alkaline conditions. Here, we examined the effects of pH on the secondary and tertiary structures, net charge, and activity of CelE1. Although variation in pH showed a small effect in the enzyme structure, the activity was highly influenced at acidic conditions, while reached the optimum activity at pH 8. Furthermore, to estimate whether CelE1 could be used as detergent additives, CelE1 activity was evaluated in the presence of surfactants. Ionic and nonionic surfactants were not able to reduce CelE1 activity significantly. Therefore, CelE1 was found to be promising candidate for use as detergent additives. Finally, we reported a thermodynamic analysis based on the structural stability and the chemical unfolding/refolding process of CelE1. The results indicated that the chemical unfolding proceeds as a reversible two-state process. These data can be useful for biotechnological applications.

  5. Chemical functionalization of ceramic tile surfaces by silane coupling agents: polymer modified mortar adhesion mechanism implications

    Directory of Open Access Journals (Sweden)

    Alexandra Ancelmo Piscitelli Mansur

    2008-09-01

    Full Text Available Adhesion between tiles and mortars are crucial to the stability of ceramic tile systems. From the chemical point of view, weak forces such as van der Waals forces and hydrophilic interactions are expected to be developed preferably at the tiles and polymer modified Portland cement mortar interface. The main goal of this paper was to use organosilanes as primers to modify ceramic tile hydrophilic properties to improve adhesion between ceramic tiles and polymer modified mortars. Glass tile surfaces were treated with several silane derivatives bearing specific functionalities. Contact angle measurements and Fourier Transform Infrared Spectroscopy (FTIR were used for evaluating the chemical changes on the tile surface. In addition, pull-off tests were conducted to assess the effect on adhesion properties between tile and poly(ethylene-co-vinyl acetate, EVA, modified mortar. The bond strength results have clearly shown the improvement of adherence at the tile-polymer modified mortar interface, reflecting the overall balance of silane, cement and polymer interactions.

  6. [Technology upgrades and exposure to chemical agents: results of the PPTP study in the footwear industry].

    Science.gov (United States)

    Gianoli, Enrica; Brusoni, Daniela; Cornaggia, Nicoletta; Saretto, Gianni

    2012-01-01

    In the present work the chemical compositions of the products used in shoes manufacturing are reported. The data were collected over the period 2004-2007 in 156 shoe factories in Vigevano area during a study aiming the evaluation of safety conditions and occupational exposure to hazardous chemicals of the employees. The study was part of a regional project for "Occupational cancer prevention in the footwear industry". In the first phase of the study an information form on production cycle, products used and their composition was filled during preliminary audit. In the second phase of the study an in depth qualitative/quantitative evaluation of professional exposure was conducted in 13 selected shoe factories. Data analysis showed the increase in use of water-based adhesives at expense of solvent-based adhesives, the reduction to less than 3.5 weight %, and up to 1 weight %, of n-hexane concentration in solvent mixtures, the increase in use of products containing less hazardous ketones, esters, cyclohexane and heptane. Only in very few cases, products containing from 4 to 12 weight% of toluene were used. These data attest a positive trend in workers risks prevention in shoes industry.

  7. Improved actuation strain of PDMS-based DEA materials chemically modified with softening agents

    Science.gov (United States)

    Biedermann, Miriam; Blümke, Martin; Wegener, Michael; Krüger, Hartmut

    2015-04-01

    Dielectric elastomer actuators (DEAs) are smart materials that gained much in interest particularly in recent years. One active field of research is the improvement of their properties by modification of their structural framework. The object of this work is to improve the actuation properties of polydimethylsiloxane (PDMS)-based DEAs by covalent incorporation of mono-vinyl-terminated low-molecular PDMS chains into the PDMS network. These low-molecular units act as a kind of softener within the PDMS network. The loose chain ends interfere with the network formation and lower the network's density. PDMS films with up to 50wt% of low-molecular PDMS additives were manufactured and the chemical, mechanical, electrical, and electromechanical properties of these novel materials were investigated.

  8. Gallic Acid as a Complexing Agent for Copper Chemical Mechanical Polishing Slurries at Neutral pH

    Science.gov (United States)

    Kim, Yung Jun; Kang, Min Cheol; Kwon, Oh Joong; Kim, Jae Jeong

    2011-05-01

    Gallic acid was investigated as a new complexing agent for copper (Cu) chemical mechanical polishing slurries at neutral pH. Addition of 0.03 M gallic acid and 1.12 M H2O2 at pH 7 resulted in a Cu removal rate of 560.73±17.49 nm/min, and the ratio of the Cu removal rate to the Cu dissolution rate was 14.8. Addition of gallic acid improved the slurry performance compared to glycine addition. X-ray photoelectron spectroscopy analysis and contact angle measurements showed that addition of gallic acid enhanced the Cu polishing behavior by suppressing the formation of surface Cu oxide.

  9. Study of the adsorption and electroadsorption process of Cu (II) ions within thermally and chemically modified activated carbon.

    Science.gov (United States)

    Macías-García, A; Gómez Corzo, M; Alfaro Domínguez, M; Alexandre Franco, M; Martínez Naharro, J

    2017-04-15

    The aim of this work is to modify the porous texture and superficial groups of a commercial activated carbon through chemical and thermal treatment and subsequently study the kinetics of adsorption and electroadsorption of Cu (II) ion for these carbons. Samples of three activated carbons were used. These were a commercial activated carbon, commercial activated carbon modified thermically (C-N2-900) and finally commercial activated carbon modified chemically C-SO2-H2S-200. The activated carbons were characterized chemically and texturally and the electrical conductivity of them determined. Different kinetic models were applied. The kinetics of the adsorption and electroadsorption process of the Cu (II) ion fits a pseudo second order model and the most likely mechanism takes place in two stages. A first step through transfer of the metal mass through the boundary layer of the adsorbent and distribution of the Cu (II) on the external surface of the activated carbon and a second step that represents intraparticle diffusion and joining of the Cu (II) with the active centres of the activated carbon. Finally, the kinetics of the adsorption process are faster than the kinetics of the electroadsorption but the percentage of the Cu (II) ion retained is much higher in the electroadsorption process.

  10. Detection of DNA damage induced by topoisomerase II inhibitors, gamma radiation and crosslinking agents using the comet assay.

    Science.gov (United States)

    Hazlehurst, Lori A

    2009-01-01

    The comet assay is a simple gel electrophoresis method for visualizing and quantifying DNA damage. The comet assay is sensitive and reproducible and can be used to detect single-strand DNA breaks, double-strand DNA breaks, protein-associated DNA strand breaks and DNA crosslinks. The comet assay uses fluorescent DNA-binding dyes to detect both damaged DNA that resides in the tail region and undamaged DNA that is retained in the head region following gel electrophoresis. This assay is a single cell-based assay and thus is highly adaptable for measuring DNA damage in clinical samples. Furthermore, unlike other assays the detection of DNA damage is not dependent on the random incorporation of radiolabeled nucleotides. Again this can be problematic with clinical samples as proliferation rates are often slow and culturing of primary patient specimens for 48 h required to randomly label DNA is often not possible. In this chapter we will outline the comet assay for the detection of DNA damage induced by topoisomerase II inhibitors, cross-linking agents and gamma radiation.

  11. Schiff base: A high affinity chemical agent to decrease the concentration of aflatoxin M1 in raw milk contaminated artificially

    Directory of Open Access Journals (Sweden)

    Frane Delaš

    2012-03-01

    Full Text Available In the present study were conducted the effect of pH (5.5, 6.0 and 6.5 and concentration of new synthesized 3-/2-aminophenylimino-(p-toluoyl/-4-hydroxy-6-(p-tolyl-2H-pyrane-2-one (Schiff base on decrease the concentration of aflatoxin M1 (AFM1 in raw milk contaminated with known concentration of this toxin. Experiments were carried out at temperature of 4 °C during 35 days. At pH 5.5 Schiff base concentration of 0.1 µmol/L was lessening the concentration of AFM1 after 35 days by 55 %. However, at pH 6.5 the most effective concentration for lessening of AFM1 was 0.5 µmol/L. Schiff base was not effective at pH value of 7 or higher. The ability of Schiff base to act as antimycotoxigenic agent provides new perspective for possibly using this compound to control AFM1 contamination in milk and to extent shelf lives of this food. Detection of toxicity of investigated Schiff base was performed by using the brine shrimp (Artemia salina larvae as an biological indicator to determine their sensitivity to this chemical agent.

  12. Continuum Model for Decontamination of Chemical Warfare Agent from a Rubbery Polymer using the Maxwell-Stefan Formulation

    Science.gov (United States)

    Varady, Mark; Bringuier, Stefan; Pearl, Thomas; Stevenson, Shawn; Mantooth, Brent

    Decontamination of polymers exposed to chemical warfare agents (CWA) often proceeds by application of a liquid solution. Absorption of some decontaminant components proceed concurrently with extraction of the CWA, resulting in multicomponent diffusion in the polymer. In this work, the Maxwell-Stefan equations were used with the Flory-Huggins model of species activity to mathematically describe the transport of two species within a polymer. This model was used to predict the extraction of the nerve agent O-ethyl S-[2(diisopropylamino)ethyl] methylphosphonothioate (VX) from a silicone elastomer into both water and methanol. Comparisons with experimental results show good agreement with minimal fitting of model parameters from pure component uptake data. Reaction of the extracted VX with sodium hydroxide in the liquid-phase was also modeled and used to predict the overall rate of destruction of VX. Although the reaction proceeds more slowly in the methanol-based solution compared to the aqueous solution, the extraction rate is faster due to increasing VX mobility as methanol absorbs into the silicone, resulting in an overall faster rate of VX destruction.

  13. Synthesis and physico-chemical characterization of zinc(II, nickel(II and cobalt(II complexes with 2-phenyl-2-imidazoline

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2003-01-01

    Full Text Available Chlorides and nitrates of zinc(II, nickel(II and cobalt(II react with 2-phenyl-2-imidazoline to give complexes of the type [ML2X2]·nH2O (M=Zn, Ni or Co; L=2-phenyl-2-imidazoline; X=Cl or NO3; n=0, 1 or 2. The complexes were synthesized and characterized by elemental analysis of the metal molar conductivity, magnetic susceptibility measurements and IR spectra. The molar conductances of the zinc(II complexes in DMF solutions indicate that the complexes behave as non-electrolytes. The values of magnetic conductivity in the case of nickel(II complexes indicate that one of the coordinated anions (chloride or nitrate has been replaced by DMF molecule. The molar conductivity values of cobalt(II complexes indicate the partial substitution of coordinated anions with solvent molecules. The room temperature effective magnetic moments and IR data of the complexes suggest that all Zn(II, Ni(II and Co(II complexes have a tetrahedral configuration, which is realized by participation of the pyridine nitrogen of two organic ligand molecules, and two chloride or nitrate anions typical for these classes of organic ligands.

  14. Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, Charles; Beery, Kyle; Orth, Rick; Zacher, Alan

    2007-09-28

    The purpose of the Department of Energy (DOE)-supported corn fiber conversion project, “Separation of Corn Fiber and Conversion to Fuels and Chemicals Phase II: Pilot-scale Operation” is to develop and demonstrate an integrated, economical process for the separation of corn fiber into its principal components to produce higher value-added fuel (ethanol and biodiesel), nutraceuticals (phytosterols), chemicals (polyols), and animal feed (corn fiber molasses). This project has successfully demonstrated the corn fiber conversion process on the pilot scale, and ensured that the process will integrate well into existing ADM corn wet-mills. This process involves hydrolyzing the corn fiber to solubilize 50% of the corn fiber as oligosaccharides and soluble protein. The solubilized fiber is removed and the remaining fiber residue is solvent extracted to remove the corn fiber oil, which contains valuable phytosterols. The extracted oil is refined to separate the phytosterols and the remaining oil is converted to biodiesel. The de-oiled fiber is enzymatically hydrolyzed and remixed with the soluble oligosaccharides in a fermentation vessel where it is fermented by a recombinant yeast, which is capable of fermenting the glucose and xylose to produce ethanol. The fermentation broth is distilled to remove the ethanol. The stillage is centrifuged to separate the yeast cell mass from the soluble components. The yeast cell mass is sold as a high-protein yeast cream and the remaining sugars in the stillage can be purified to produce a feedstock for catalytic conversion of the sugars to polyols (mainly ethylene glycol and propylene glycol) if desirable. The remaining materials from the purification step and any materials remaining after catalytic conversion are concentrated and sold as a corn fiber molasses. Additional high-value products are being investigated for the use of the corn fiber as a dietary fiber sources.

  15. Chemical composition and biological evaluation of Physalis peruviana root as hepato-renal protective agent.

    Science.gov (United States)

    El-Gengaihi, Souad E; Hassan, Emad E; Hamed, Manal A; Zahran, Hanan G; Mohammed, Mona A

    2013-03-01

    This study was designed to investigate the potential of Physalis peruviana root as a functional food with hepato-renal protective effects against fibrosis. The chemical composition of the plant root suggested the presence of alkaloids, withanolides and flavonoids. Five compounds were isolated and their structures elucidated by different spectral analysis techniques. One compound was isolated from the roots: cuscohygrine. The biological evaluation was conducted on different animal groups; control rats, control treated with ethanolic root extract, CCl(4) group, CCl(4) treated with root extract, and CCl(4) treated with silymarin as a standard herbal drug. The evaluation used the oxidative stress markers malondialdehyde (MDA), superoxide dismutase (SOD), and nitric oxide (NO). The liver function indices; aspartate and alanine aminotransferases (AST & ALT), alkaline phosphatase (ALP), gamma glutamyl transferase (GGT), bilirubin, and total hepatic protein were also estimated. Kidney disorder biomarkers; creatinine, urea, and serum protein were also evaluated. The results suggested safe administration, and improvement of all the investigated parameters. The liver and kidney histopathological analysis confirmed the results. In conclusion, P. peruviana succeeded in protecting the liver and kidney against fibrosis. Further studies are needed to discern their pharmacological applications and clinical uses.

  16. Metal-Based Antibacterial and Antifungal Agents: Synthesis, Characterization, and In Vitro Biological Evaluation of Co(II, Cu(II, Ni(II, and Zn(II Complexes with Amino Acid-Derived Compounds

    Directory of Open Access Journals (Sweden)

    Zahid H. Chohan

    2006-01-01

    Full Text Available A series of antibacterial and antifungal amino acid-derived compounds and their cobalt(II, copper(II, nickel(II, and zinc(II metal complexes have been synthesized and characterized by their elemental analyses, molar conductances, magnetic moments, and IR, and electronic spectral measurements. Ligands (L1–(L5 were derived by condensation of β-diketones with glycine, phenylalanine, valine, and histidine and act as bidentate towards metal ions (cobalt, copper, nickel, and zinc via the azomethine-N and deprotonated-O of the respective amino acid. The stoichiometric reaction between the metal(II ion and synthesized ligands in molar ratio of M: L (1: 1 resulted in the formation of the metal complexes of type [M(L(H2O4]Cl (where M = Co(II, Cu(II, and Zn(II and of M: L (1: 2 of type [M(L2(H2O2] (where M = Co(II, Cu(II, Ni(II, and Zn(II. The magnetic moment data suggested for the complexes to have an octahedral geometry around the central metal atom. The electronic spectral data also supported the same octahedral geometry of the complexes. Elemental analyses and NMR spectral data of the ligands and their metal(II complexes agree with their proposed structures. The synthesized ligands, along with their metal(II complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Shigella flexeneri, Pseudomonas aeruginosa, and Salmonella typhi and two Gram-positive (Bacillus subtilis and Staphylococcus aureus bacterial strains and for in vitro antifungal activity against Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani, and Candida glaberata. The results of these studies show the metal(II complexes to be more antibacterial/antifungal against one or more species as compared to the uncomplexed ligands. The brine shrimp bioassay was also carried out to study their in vitro cytotoxic properties. Five compounds, (3, (7, (10, (11, and (22, displayed potent cytotoxic

  17. Synthesis, physico-chemical investigations of Co(II), Ni(II) and Cu(II) complexes and their in vitro microbial, cytotoxic, DNA cleavage studies.

    Science.gov (United States)

    Bagihalli, Gangadhar B; Patil, Sangamesh A

    2010-06-01

    A series of metal complexes of cobalt(II), nickel(II), and copper(II) have been synthesized with newly derived biologically active ligands. These ligands were synthesized by the condensation of 2-amino-4-phenyl-1,3-thiazole with 8-formyl-7-hydroxy- 4-methylcoumarin. The probable structure of the complexes has been proposed on the basis of analytical and spectroscopic data (IR, UV-Vis, ESR, FAB-mass, and thermoanalytical). Electrochemical study of the complexes is also reported. Elemental analysis of the complexes confined them to stoichiometry of the type ML(2).2H(2)O [M = Co(II), Ni(II), and Cu(II)]. The Schiff base and its metal(II) complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Staphylococcus pyogenes, and Pseudomonas aeruginosa) and antifungal activities (Aspergillus niger, Aspergillus flavus, and Cladosporium) by the MIC method. The brine shrimp bioassay was carried out to study their in vitro cytotoxic properties, and also the Schiff base and its metal(II) complexes have been studied for DNA cleavage.

  18. Disposal of chemical agents and munitions stored at Pueblo Depot Activity, Colorado. Final, Phase 1: Environmental report

    Energy Technology Data Exchange (ETDEWEB)

    Terry, J.W.; Blasing, T.J.; Ensminger, J.T.; Johnson, R.O.; Schexnayder, S.M.; Shor, J.T.; Staub, W.P.; Tolbert, V.R.; Zimmerman, G.P.

    1995-04-01

    Under the Chemical Stockpile Disposal Program (CSDP), the US Army proposes to dispose of lethal chemical agents and munitions stored at eight existing Army installations in the continental United States. In 1988, the US Army issued the final programmatic environmental impact statement (FPEIS) for the CSDP. The FPEIS and the subsequent Record of Decision (ROD) identified an on-site disposal process as the preferred method for destruction of the stockpile. That is, the FPEIS determined the environmentally preferred alternative to be on-site disposal in high-temperature incinerators, while the ROD selected this alternative for implementation as the preferred method for destruction of the stockpile. In this Phase I report, the overall CSDP decision regarding disposal of the PUDA Stockpile is subjected to further analyses, and its validity at PUDA is reviewed with newer, more detailed data than those providing the basis for the conclusions in the FPEIS. The findings of this Phase I report will be factored into the scope of a site-specific environmental impact statement to be prepared for the destruction of the PUDA stockpile. The focus of this Phase I report is on those data identified as having the potential to alter the Army`s previous decision regarding disposal of the PUDA stockpile; however, several other factors beyond the scope of this Phase I report must also be acknowledged to have the potential to change or modify the Army`s decisions regarding PUDA.

  19. The chemically controlled synthesis of dust in type II-P supernovae

    CERN Document Server

    Sarangi, Arkaprabha

    2013-01-01

    We study the formation of molecules and dust clusters in the ejecta of solar metallicity, Type II-P supernovae using a chemical kinetic approach. We follow the evolution of molecules and small dust cluster masses from day 100 to day 1500 after explosion. We consider stellar progenitors with initial mass of 12, 15, 19 and 25 Msun that explode as supernovae with stratified ejecta. The molecular precursors to dust grains comprise molecular chains, rings and small clusters of silica, silicates, metal oxides, sulphides and carbides, pure metals, and carbon, where the nucleation of silicate clusters is described by a two-step process of metal and oxygen addition. We study the impact of the 56Ni mass on the type and amount of synthesised dust. We predict that large masses of molecules including CO, SiO, SiS, O2, and SO form in the ejecta. We show that the discrepancy between the small dust masses detected at infrared wavelengths some 500 days post-explosion and the larger amounts of dust recently detected with Hersc...

  20. Structural, spectroscopic and quantum chemical studies of acetyl hydrazone oxime and its palladium(II) and platinum(II) complexes

    Science.gov (United States)

    Kaya, Yunus; Icsel, Ceyda; Yilmaz, Veysel T.; Buyukgungor, Orhan

    2015-09-01

    Acetyl hydrazone oxime, [(1E,2E)-2-(hydroxyimino)-1-phenylethylidene]acetohydrazone (hipeahH2) and its palladium(II) and platinum(II) complexes, [M(hipeahH)2] (M = PdII and PtII), have been synthesized and characterized by elemental analysis, UV-vis IR, NMR and LC-MS techniques. X-ray diffraction analysis of [Pd(hipeahH)2] shows that the two hipeahH2 ligands are not equal; one of the ligands loses the hydrazone proton, while the other one loses the oxime proton, resulting in a different coordination behavior to form five- and six-membered chelate rings. The molecular geometries from X-ray experiments in the ground state were compared using the density functional theory (DFT) with the B3LYP method combined with the 6-311++G(d,p) basis set for the ligand and the LanL2DZ basis set for the complexes. Comprehensive theoretical and experimental structural studies on the molecule have been carried out by FT-IR, NMR and UV-vis spectrometry. In addition, the isomer studies of ligand and its complexes were made by DFT.

  1. Synthesis, characterization and chemical properties of 1-((E)-2-pyridinylmethylidene)semicarbazone manganese(II) and iron(II) complexes

    Science.gov (United States)

    Garbelini, Ellery Regina; Martin, Maria da Graça M. B.; Back, Davi Fernando; Evans, David John; Müller-Santos, Marcelo; Ribeiro, Ronny Rocha; Lang, Ernesto Schulz; Nunes, Fábio Souza

    2012-01-01

    Manganese(II) perchlorate and iron(II) chloride react with 2-formylpyridine semicarbazone (HCSpy) in boiling ethanol to produce [Mn II(HSCpy) 2](ClO 4) 2·C 2H 5OH and [Fe IICl(HSCpy)]Cl. The distorted octahedral manganese complex crystallizes in the triclinic system with space group P(-1). The ligand HSCpy is tridentate and is coordinated through two nitrogen and one oxygen atoms. Comparison of the bond distances with analogous transition metal complexes that have the same geometry revealed longer bonds for the manganese derivative, an outcome that correlates well with the radius of the metal ions. The iron(II) ion is tetracoordinated to one semicarbazone and one chloride. Mass spectrometry, conductivity measurements, Mössbauer, UV-VIS, FTIR and elemental analysis were all in accordance with the proposed composition and the plausible geometry of [FeCl(HSCpy)]Cl. Mass spectrometry unequivocally detected the presence of the [FeCl(HSCpy)] + ion with a m/ z of 254.97 and intensity of 2 × 10 5.

  2. Utilization of animal studies to determine the effects and human risks of environmental toxicants (drugs, chemicals, and physical agents).

    Science.gov (United States)

    Brent, Robert L

    2004-04-01

    Toxicology studies using animals and in vitro cellular or tissue preparations have been used to study the toxic effects and mechanism of action of drugs and chemicals and to determine the effective and safe dose of drugs in humans and the risk of toxicity from chemical exposures. Studies in pregnant animals are used to determine the risk of birth defects and other reproductive effects. There is no question that whole animal teratology studies are helpful in raising concerns about the reproductive effects of drugs and chemicals, but negative animal studies do not guarantee that these agents are free from reproductive effects. There are examples in which drug testing was negative in animals (rat and mouse) but was teratogenic in the human (thalidomide), and there are examples in which a drug was teratogenic in an animal model but not in the human (diflunisal). Testing in animals could be improved if animal dosing using the mg/kg basis were abandoned and drugs and chemicals were administered to achieve pharmacokinetically equivalent serum levels in the animal and the human. Because most human teratogens have been discovered by alert physicians or epidemiology studies, not animal studies, animal studies play a minor role in discovering teratogens. In vitro studies play an even less important role, although they are helpful in describing the cellular or tissue effects of the drugs or chemicals. One cannot determine the magnitude of human risks from these in vitro studies. Performing toxicology studies on adult animals is performed by pharmaceutical companies, chemical companies, the Food and Drug Administration, many laboratories at the National Institutes of Health, and scientific investigators in laboratories throughout the world. Although a vast amount of animal toxicology studies are performed on pregnant animals and numerous toxicology studies are performed on adult animals, there is a paucity of animal studies using newborn, infant, and juvenile animals. This

  3. Synthesis, physico-chemical studies of manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II) complexes with some p-substituted acetophenone benzoylhydrazones and their antimicrobial activity.

    Science.gov (United States)

    Singh, Vinod P; Singh, Shweta; Katiyar, Anshu

    2009-04-01

    Complexes of the type [M(pabh)(H2O)Cl], [M(pcbh)(H2O)Cl] and [M(Hpabh)(H2O)2 (SO4)] where, M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); Hpabh = p-amino acetophenone benzoyl hydrazone and Hpcbh = p-chloro acetophenone benzoyl hydrazone have been synthesized and characterized with the help of elemental analyses, electrical conductance, magnetic susceptibility measurements, electronic, ESR and IR spectra, thermal (TGA & DTA) and X-ray diffraction studies. Co(II), Ni(II) and Cu(II) chloride complexes are square planar, whereas their sulfate complexes have spin-free octahedral geometry. ESR spectra of Cu(II) complexes with Hpabh are axial and suggest d(x(2)-y(2) as the ground state. The ligand is bidentate bonding through > C = N--and deprotonated enolate group in all the chloro complexes, whereas, >C = N and >C = O groups in all the sulfato complexes. Thermal studies (TGA & DTA) on [Cu(Hpabh)(H2O)2(SO4)] indicate a multistep decomposition pattern, which are both exothermic and endothermic in nature. X-ray powder diffraction parameters for [Co(pabh)(H2O)Cl] and [Ni(Hpabh)(H2O)2(SO4)] correspond to tetragonal and orthorhombic crystal lattices, respectively. The ligands as well as their complexes show a significant antifungal and antibacterial activity. The metal complexes are more active than the ligand.

  4. Cross-resistance of an amsacrine-resistant human leukemia line to topoisomerase II reactive DNA intercalating agents. Evidence for two topoisomerase II directed drug actions

    Energy Technology Data Exchange (ETDEWEB)

    Zwelling, L.A.; Mayes, J.; Hinds, M.; Chan, D.; Altschuler, E.; Carroll, B.; Parker, E.; Deisseroth, K.; Radcliffe, A.; Seligman, M.; Li, Li; Farquhar, D. (Univ. of Texas M.D. Anderson Cancer Center, Houston (USA))

    1991-04-23

    HL-60/AMSA is a human leukemia cell line that is 50-100-fold more resistant than its drug-sensitive HL-60 parent line to the cytotoxic actions of the DNA intercalator amsacrine (m-AMSA). HL-60/AMSA topoisomerase II is also resistant to the inhibitory actions of m-AMSA. HL-60/AMSA cells and topoisomerase II are cross-resistant to anthracycline and ellipticine intercalators but relatively sensitive to the nonintercalating topoisomerase II reactive epipodophyllotoxin etoposide. The authors now demonstrate that HL-60/AMSA and its topoisomerase II are cross-resistant to the DNA intercalators mitoxantrone and amonafide, thus strongly indicating that HL-60/AMSA and its topoisomerase II are resistant to topoisomerase II reactive intercalators but not to nonintercalators. At high concentrations, mitoxantrone and amonafide were also found to inhibit their own, m-AMSA's, and etoposide's abilities to stabilize topoisomerase II-DNA complexes. These results suggest that the cytotoxicity of m-AMSA and etoposide is initiated primarily by the stabilization of the topoisomerase II-DNA complex. Other topoisomerase II reactive drugs may inhibit the enzyme at other steps in the topoisomerization cycle, particularly at elevated concentrations. Under these conditions, these latter drugs may not produce protein-associated DNA cleavage while still inhibiting topoisomerase II function as well as the actions of other topoisomerase II reactive drugs.

  5. Chemical modification of silica gel with synthesized new Schiff base derivatives and sorption studies of cobalt (II) and nickel (II)

    Energy Technology Data Exchange (ETDEWEB)

    Kursunlu, Ahmed Nuri, E-mail: ankursunlu@gmail.com [Department of Chemistry, Selcuk University, Campus, 42075, Konya (Turkey); Guler, Ersin; Dumrul, Hakan; Kocyigit, Ozcan; Gubbuk, Ilkay Hilal [Department of Chemistry, Selcuk University, Campus, 42075, Konya (Turkey)

    2009-08-15

    In this study, three Schiff base ligands and their complexes were synthesized and characterized by infrared spectroscopy (IR), thermogravimetric analyses (TGA), nuclear magnetic resonance (NMR), elemental analysis and magnetic susceptibility apparatuses. Silica gel was respectively modified with Schiff base derivatives, (E)-2-[(2-chloroethylimino)methyl]phenol, (E)-4-[(2-chloroethylimino)methyl]phenol and N,N'-[1,4-phenilendi(E)methylidene]bis(2-chloroethanamine), after silanization of silica gel by (3-aminopropyl)trimethoxysilane (APTS) by using a suitable method. Characterization of the surface modification was also performed with IR, TGA and elemental analysis. The immobilized surfaces were used for Co(II) and Ni(II) sorption from aqueous solutions and values of sorption were detected by atomic absorption spectrometer (AAS).

  6. Biosorption of Cu (II onto chemically modified waste mycelium of Aspergillus awamori: Equilibrium, kinetics and modeling studies

    Directory of Open Access Journals (Sweden)

    ZDRAVKA VELKOVA

    2012-01-01

    Full Text Available The biosorption potential of chemically modified waste mycelium of industrial xylanase-producing strain Aspergillus awamori for Cu (II removal from aqueous solutions was evaluated. The influence of pH, contact time and initial Cu (II concentration on the removal efficiency was evaluated. Maximum biosorption capacity was reached by sodium hydroxide treated waste fungal mycelium at pH 5.0. The Langmuir adsorption equation matched very well the adsorption equilibrium data in the studied conditions. The process kinetic followed the pseudo-firs order model.

  7. Development of Novel Decontamination Techniques for Chemical Agents (GB, VX, HD) Contaminated Facilities. Phase I. Identification and Evaluation of Novel Decontamination Concepts. Volume 1

    Science.gov (United States)

    1983-02-01

    evaluation were the use of hot gases, :: "vapor circulation and chemical methods, using either monoethanol amine , ¶’ n-octyl-pyridinium aldoxime bromide...ntambor) Chemical Agents Decontamination Concepts Thermal Oximes GB Installation Restoration Facilities Amines VX Structures Concrete Abrasive Ammonia...steam, ammonia, oximes and amines either alone or in series. ** V- nil- -- m- 4’- t. -U °.% INSp 119CURIlY CLASSIFICATION OF THIS PAGElfW~on Date

  8. Analysis of chemical warfare agents in organic liquid samples with magnetic dispersive solid phase extraction and gas chromatography mass spectrometry for verification of the chemical weapons convention.

    Science.gov (United States)

    Singh, Varoon; Purohit, Ajay Kumar; Chinthakindi, Sridhar; Goud, Raghavender D; Tak, Vijay; Pardasani, Deepak; Shrivastava, Anchal Roy; Dubey, Devendra Kumar

    2016-05-27

    A simple, sensitive and low temperature sample preparation method is developed for detection and identification of Chemical Warfare Agents (CWAs) and scheduled esters in organic liquid using magnetic dispersive solid phase extraction (MDSPE) followed by gas chromatography-mass spectrometry analysis. The method utilizes Iron oxide@Poly(methacrylic acid-co-ethylene glycol dimethacrylate) resin (Fe2O3@Poly(MAA-co-EGDMA)) as sorbent. Variants of these sorbents were prepared by precipitation polymerization of methacrylic acid-co-ethylene glycol dimethacrylate (MAA-co-EGDMA) onto Fe2O3 nanoparticles. Fe2O3@poly(MAA-co-EGDMA) with 20% MAA showed highest recovery of analytes. Extractions were performed with magnetic microspheres by MDSPE. Parameters affecting the extraction efficiency were studied and optimized. Under the optimized conditions, method showed linearity in the range of 0.1-3.0μgmL(-1) (r(2)=0.9966-0.9987). The repeatability and reproducibility (relative standard deviations (RSDs) %) were in the range of 4.5-7.6% and 3.4-6.2% respectively for organophosphorous esters in dodecane. Limits of detection (S/N=3/1) and limit of quantification (S/N=10/1) were found to be in the range of 0.05-0.1μgmL(-1) and 0.1-0.12μgmL(-1) respectively in SIM mode for selected analytes. The method was successfully validated and applied to the extraction and identification of targeted analytes from three different organic liquids i.e. n-hexane, dodecane and silicon oil. Recoveries ranged from 58.7 to 97.3% and 53.8 to 95.5% at 3μgmL(-1) and 1μgmL(-1) spiking concentrations. Detection of diethyl methylphosphonate (DEMP) and O-Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX) in samples provided by the Organization for Prohibition of Chemical Weapons Proficiency Test (OPCW-PT) proved the utility of the developed method for the off-site analysis of CWC relevant chemicals.

  9. De Novo Assembly and Transcriptome Analysis of Wheat with Male Sterility Induced by the Chemical Hybridizing Agent SQ-1.

    Directory of Open Access Journals (Sweden)

    Qidi Zhu

    Full Text Available Wheat (Triticum aestivum L., one of the world's most important food crops, is a strictly autogamous (self-pollinating species with exclusively perfect flowers. Male sterility induced by chemical hybridizing agents has increasingly attracted attention as a tool for hybrid seed production in wheat; however, the molecular mechanisms of male sterility induced by the agent SQ-1 remain poorly understood due to limited whole transcriptome data. Therefore, a comparative analysis of wheat anther transcriptomes for male fertile wheat and SQ-1-induced male sterile wheat was carried out using next-generation sequencing technology. In all, 42,634,123 sequence reads were generated and were assembled into 82,356 high-quality unigenes with an average length of 724 bp. Of these, 1,088 unigenes were significantly differentially expressed in the fertile and sterile wheat anthers, including 643 up-regulated unigenes and 445 down-regulated unigenes. The differentially expressed unigenes with functional annotations were mapped onto 60 pathways using the Kyoto Encyclopedia of Genes and Genomes database. They were mainly involved in coding for the components of ribosomes, photosynthesis, respiration, purine and pyrimidine metabolism, amino acid metabolism, glutathione metabolism, RNA transport and signal transduction, reactive oxygen species metabolism, mRNA surveillance pathways, protein processing in the endoplasmic reticulum, protein export, and ubiquitin-mediated proteolysis. This study is the first to provide a systematic overview comparing wheat anther transcriptomes of male fertile wheat with those of SQ-1-induced male sterile wheat and is a valuable source of data for future research in SQ-1-induced wheat male sterility.

  10. Facile hydrolysis-based chemical destruction of the warfare agents VX, GB, and HD by alumina-supported fluoride reagents.

    Science.gov (United States)

    Gershonov, E; Columbus, I; Zafrani, Y

    2009-01-02

    A facile solvent-free hydrolysis (chemical destruction) of the warfare agents VX (O-ethyl S-2-(diisopropylamino)ethyl methylphosphonothioate), GB (O-isopropyl methylphosphonofluoridate or sarin), and HD (2,2'-dichloroethyl sulfide or sulfur mustard) upon reaction with various solid-supported fluoride reagents is described. These solid reagents include different alumina-based powders such as KF/Al(2)O(3), AgF/KF/Al(2)O(3), and KF/Al(2)O(3) enriched by so-called coordinatively unsaturated fluoride ions (termed by us as ECUF-KF/Al(2)O(3)). When adsorbed on these sorbents, the nerve agent VX quickly hydrolyzed (t(1/2) range between 0.1-6.3 h) to the corresponding nontoxic phosphonic acid EMPA as a major product (>90%) and to the relatively toxic desethyl-VX (<10%). The latter byproduct was further hydrolyzed to the nontoxic MPA product (t(1/2) range between 2.2-161 h). The reaction rates and the product distribution were found to be strongly dependent on the nature of the fluoride ions in the KF/Al(2)O(3) matrix and on its water content. All variations of the alumina-supported fluoride reagents studied caused an immediate hydrolysis of the highly toxic GB (t(1/2) < 10 min) to form the corresponding nontoxic phosphonic acid IMPA. A preliminary study of the detoxification of HD on these catalyst supports showed the formation of the nontoxic 1,4-thioxane as a major product together with minor amounts of TDG and vinylic compounds within a few days. The mechanisms and the efficiency of these processes were successfully studied by solid-state (31)P, (13)C, and (19)F MAS NMR.

  11. Synthesis, Biological, and Quantum Chemical Studies of Zn(II and Ni(II Mixed-Ligand Complexes Derived from N,N-Disubstituted Dithiocarbamate and Benzoic Acid

    Directory of Open Access Journals (Sweden)

    Anthony C. Ekennia

    2016-01-01

    Full Text Available Some mixed-ligand complexes of Zn(II and Ni(II derived from the sodium salt of N-alkyl-N-phenyl dithiocarbamate and benzoic acid have been prepared. The complexes are represented as ZnMDBz, ZnEDBz, NiMDBz, and NiEDBz (MD: N-methyl-N-phenyl dithiocarbamate, ED: N-ethyl-N-phenyl dithiocarbamate, and Bz: benzoate; and their coordination behavior was characterized on the basis of elemental analyses, IR, electronic spectra, magnetic and conductivity measurements, and quantum chemical calculations. The magnetic moment measurement and electronic spectra were in agreement with the four proposed coordinate geometries for nickel and zinc complexes and were corroborated by the theoretical quantum chemical calculations. The quantum chemically derived thermodynamics parameters revealed that the formation of N-methyl-N-phenyl dithiocarbamate complexes is more thermodynamically favourable than that of the N-ethyl-N-phenyl dithiocarbamate complexes. The bioefficacy of the mixed-ligand complexes examined against different microbes showed moderate to high activity against the test microbes. The anti-inflammatory and antioxidant studies of the metal complexes showed that the ethyl substituted dithiocarbamate complexes exhibited better anti-inflammatory and antioxidant properties than the methyl substituted dithiocarbamate complexes.

  12. Holo- and hemidirected lead(II) in the polymeric [Pb(4)(mu-3,4-TDTA)2(H2O)2]*4H2O complex. N,N,N',N'-tetraacetate ligands derived from o-phenylenediamines as sequestering agents for lead(II).

    Science.gov (United States)

    Sanchiz, Joaquín; Esparza, Pedro; Villagra, Diego; Domínguez, Sixto; Mederos, Alfredo; Brito, Felipe; Araujo, Lorena; Sánchez, Agustin; Arrieta, Juan Manuel

    2002-11-18

    The coordinating ability of the ligands 3,4-toluenediamine-N,N,N',N'-tetraacetate (3,4-TDTA), o-phenylenediamine-N,N,N',N'-tetraacetate (o-PhDTA), and 4-chloro-1,2-phenylenediamine-N,N,N',N'-tetraacetate (4-Cl-o-PhDTA) (H4L acids) toward lead(II) is studied by potentiometry (25 degrees C, I = 0.5 mol x dm(-3) in NaClO4), UV-vis spectrophotometry, and 207Pb NMR spectrometry. The stability constants of the complex species formed were determined. X-ray diffraction structural analysis of the complex [Pb4(mu-3,4-TDTA)4(H2O)2]*4H2O (1) revealed that 1 has a 2-D structure. The layers are built up by the polymerization of centrosymmetric [Pb4L2(H2O)2] tetranuclear units. The neutral layers have the aromatic rings of the ligands pointing to the periphery, whereas the metallic ions are located in the central part of the layers. In compound 1, two types of six-coordinate lead(II) environments are produced. The Pb(1) is coordinated to two nitrogen atoms and four carboxylate oxygens from the ligand, whereas Pb(2) has an O6 trigonally distorted octahedral surrounding. The lead(II) ion is surrounded by five carboxylate oxygens and a water molecule. The carboxylate oxygens belong to four different ligands that are also joined to four other Pb(1) ions. The selective uptake of lead(II) was analyzed by means of chemical speciation diagrams as well as the so-called conditional or effective formation constants K(Pb)eff. The results indicate that, in competition with other ligands that are strong complexing agents for lead(II), our ligands are better sequestering agents in acidic media.

  13. Ion mobility spectrometric analysis of vaporous chemical warfare agents by the instrument with corona discharge ionization ammonia dopant ambient temperature operation.

    Science.gov (United States)

    Satoh, Takafumi; Kishi, Shintaro; Nagashima, Hisayuki; Tachikawa, Masumi; Kanamori-Kataoka, Mieko; Nakagawa, Takao; Kitagawa, Nobuyoshi; Tokita, Kenichi; Yamamoto, Soichiro; Seto, Yasuo

    2015-03-20

    The ion mobility behavior of nineteen chemical warfare agents (7 nerve gases, 5 blister agents, 2 lachrymators, 2 blood agents, 3 choking agents) and related compounds including simulants (8 agents) and organic solvents (39) was comparably investigated by the ion mobility spectrometry instrument utilizing weak electric field linear drift tube with corona discharge ionization, ammonia doping, purified inner air drift flow circulation operated at ambient temperature and pressure. Three alkyl methylphosphonofluoridates, tabun, and four organophosphorus simulants gave the intense characteristic positive monomer-derived ion peaks and small dimer-derived ion peaks, and the later ion peaks were increased with the vapor concentrations. VX, RVX and tabun gave both characteristic positive monomer-derived ions and degradation product ions. Nitrogen mustards gave the intense characteristic positive ion peaks, and in addition distinctive negative ion peak appeared from HN3. Mustard gas, lewisite 1, o-chlorobenzylidenemalononitrile and 2-mercaptoethanol gave the characteristic negative ion peaks. Methylphosphonyl difluoride, 2-chloroacetophenone and 1,4-thioxane gave the characteristic ion peaks both in the positive and negative ion mode. 2-Chloroethylethylsulfide and allylisothiocyanate gave weak ion peaks. The marker ion peaks derived from two blood agents and three choking agents were very close to the reactant ion peak in negative ion mode and the respective reduced ion mobility was fluctuated. The reduced ion mobility of the CWA monomer-derived peaks were positively correlated with molecular masses among structurally similar agents such as G-type nerve gases and organophosphorus simulants; V-type nerve gases and nitrogen mustards. The slope values of the calibration plots of the peak heights of the characteristic marker ions versus the vapor concentrations are related to the detection sensitivity, and within chemical warfare agents examined the slope values for sarin, soman

  14. Degradation of paraoxon (VX chemical agent simulant) and bacteria by magnesium oxide depends on the crystalline structure of magnesium oxide.

    Science.gov (United States)

    Sellik, A; Pollet, T; Ouvry, L; Briançon, S; Fessi, H; Hartmann, D J; Renaud, F N R

    2016-11-22

    In this work, our goal was to study the capability of a single metallic oxide to neutralize a chemical agent and to exhibit an antibacterial effect. We tested two types of magnesium oxides, MgO. The first MgO sample tested, which commercial data size characteristic was -325 mesh (MgO-1) destroyed in 3 h, 89.7% of paraoxon and 93.2% of 4-nitrophenol, the first degradation product. The second MgO sample, which commercial data size was <50 nm (MgO-2) neutralized in the same time, 19.5% of paraoxon and 10.9% of 4-nitrophenol. For MgO-1 no degradation products could be detected by GC-MS. MgO-1 had a bactericidal activity on Escherichia coli (6 log in 1 h), and showed a decrease of almost 3 log on a Staphylococcus aureus population in 3 h. MgO-2 caused a decrease of 2 log of a E.coli culture but had no activity against S. aureus. Neither of these two products had an activity on Bacillus subtilis spores. Analytical investigations showed that the real sizes of MgO nanoparticles were 11 nm for MgO-1 and 25 nm for MgO-2. Moreover, their crystalline structures were different. These results highlighted the importance of the size of the nanoparticles and their microscopic arrangements to detoxify chemical products and to inhibit or kill microbial strains.

  15. Exposición ocupacional a agentes químicos en la construcción de edificios Occupational exposure to chemicals in the construction of buildings

    Directory of Open Access Journals (Sweden)

    Gabriela Hernández Gómez

    2012-11-01

    Full Text Available Objetivos: (i estimar los niveles de exposición ocupacional a humos y polvos de cromo, hierro y manganeso y polvo inhalable de madera en tareas asociadas a la construcción de edificios; (ii generar una propuesta de matriz de exposición ocupacional a los agentes estudiados. Materiales y métodos: el estudio fue exploratorio e incluyó nueve proyectos de construcción de edificios de cinco empresas. Se utilizaron los métodos de muestreo y análisis descritos en OSHA ID121 y MDHS 14/03. Se determinaron los niveles de exposición ocupacional para el análisis de cumplimiento con el estándar nacional INTE 31- 08-04-01. Se estimó la influencia de los posibles determinantes de exposición mediante pruebas de asociación estadística. Resultados: La media de los niveles de exposición ocupacional para polvo inhalable de madera en carpintería fue de 3.55 mg/m3; se encontró relación entre el tiempo de muestreo y las concentraciones obtenidas. No se detectó la presencia de cromo en las muestras recolectadas. La media de hierro fue de 0.78 mg/m3; no se encontró relación entre las concentraciones y los posibles determinantes de la exposición. En manganeso, la media fue de 0.04 mg/ m3; la temperatura fue el factor con mayor influencia. Conclusiones: los niveles de exposición ocupacional a hierro, manganeso y polvo inhalable de madera variaron entre constructoras y proyectos. Las concentraciones de polvo se asociaron al tiempo de muestreo y no se encontró evidencia estadística significativa para los determinantes de la exposición a metales.Objectives: (i To estimate occupational exposure levels to chromium, manganese and iron fumes, and from wood dust in tasks related to building construction. (ii To propose an occupational exposure matrix to agents in study. Materials and methods: An exploratory study was carried including nine construction projects from five companies. Analytical Methods were based on documents: OSHA ID121 and MDHS 14

  16. Speciation of Fe(II) and Fe(III) in Contaminated Aquifer Sediments Using Chemical Extraction Techniques

    DEFF Research Database (Denmark)

    Heron, Gorm; Crouzet, Catherine.; Bourg, Alain C. M.;

    1994-01-01

    The iron mineralogy of aquifer sediments was described by chemical extraction techniques. Single-step extractions including 1 M CaC12, NaAc, oxalate, dithionite, Ti(II1)- EDTA, 0.5 M HC1,5 M HC1, hot 6 M HC1, and a sequential extraction by HI and CrIIHC1 were tested on standard iron minerals...

  17. The application of single particle aerosol mass spectrometry for the detection and identification of high explosives and chemical warfare agents

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Audrey Noreen [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2006-01-01

    Single Particle Aerosol Mass Spectrometry (SPAMS) was evaluated as a real-time detection technique for single particles of high explosives. Dual-polarity time-of-flight mass spectra were obtained for samples of 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazinane (RDX), and pentaerythritol tetranitrate (PETN); peaks indicative of each compound were identified. Composite explosives, Comp B, Semtex 1A, and Semtex 1H were also analyzed, and peaks due to the explosive components of each sample were present in each spectrum. Mass spectral variability with laser fluence is discussed. The ability of the SPAMS system to identify explosive components in a single complex explosive particle (~1 pg) without the need for consumables is demonstrated. SPAMS was also applied to the detection of Chemical Warfare Agent (CWA) simulants in the liquid and vapor phases. Liquid simulants for sarin, cyclosarin, tabun, and VX were analyzed; peaks indicative of each simulant were identified. Vapor phase CWA simulants were adsorbed onto alumina, silica, Zeolite, activated carbon, and metal powders which were directly analyzed using SPAMS. The use of metal powders as adsorbent materials was especially useful in the analysis of triethyl phosphate (TEP), a VX stimulant, which was undetectable using SPAMS in the liquid phase. The capability of SPAMS to detect high explosives and CWA simulants using one set of operational conditions is established.

  18. Express analysis of explosives, chemical warfare agents and drugs with multicapillary column gas chromatography and ion mobility increment spectrometry.

    Science.gov (United States)

    Buryakov, Igor A

    2004-02-05

    Description of a gas chromatograph designed for express analysis of explosives (2,4-dinitrotoluene, 2,4,6-trinitrotoluene, pentaerythritol tetranitrate), chemical warfare agents (mustard gas, lewisite, sarin) and drugs (heroin, cocaine hydrochloride, crack) is given. The devices comprises a multicapillary chromatographic column and an ion mobility increment spectrometer (MCC-IMIS). The main analytical characteristics of an IMIS (estimated detection limit (DL), linear dynamic range (LDR), speed of response) and a chromatographic column (separation power, degree of separation, a number of possible peaks at a chromatogram section, divided by analysis time) are determined. The maximum value of DL equal to 5 pg/ml was registered for cis-alpha-LW, and the lowest one of 0.001 pg/ml was for cocaine. The maximum value of LDR equal to 1000 was registered for sarin and the lowest one of 150 was for the ions of lewisite. Speed of response of one compound detection with the IMIS was 0.7 s.

  19. Exploratory Study on Occupational Health Exposure to Chemical Agents, in a Public Hospital in Valencia, Venezuela. Preliminar Assessment

    Directory of Open Access Journals (Sweden)

    Maritza Rojas

    2008-07-01

    Full Text Available Descriptive study that identified chemicalagents (AQ use and training on risk managementand waste disposal techniques in a publicHospital in Valencia. A questionnaire wasanswered by 48 workers. Information obtainedwas: personal data, occupational history, AQused; knowledge of risk management and wastedisposal. There were 16 occupations from 12“High Risk” areas. “Adult emergency” was theone with more workers (11 individuals, followedby “sterilization” and “clinical laboratory”(7 each and oncology (5. The remained areashad less than 8.3% workers. The most usedanesthetic agents were: Halothane, Enfluoraneand Isofluorane 4.17% each and main antineoplasticsused were: Doxorubicin 16.67% andPaclitaxel, 5-Fluoracil and Etoposide, 8.33%each. The most mentioned substances were:alcohol (70.8% and Chlorine (64.6%. None ofthe answers regarding knowledge of AQ’ riskmanagement and waste disposal was satisfactory.Statistical associations between trainingand several variables such as age, time in theirjob and being or not a professional, resultednon-significant. The correlation between trainingand the knowledge of AQ’s managementwas significant (p < 0.001. Participants showedthat their knowledge about chemical occupationalrisk factors they are exposed to is stillinsufficient. Therefore, this theme should beincluded in graduate course curricula. Theseresults provide important data and will serveas a pilot research for the follow up Phase IIstudy that will include clinical aspects and environmentaland biological monitoring.

  20. Effective, Facile, and Selective Hydrolysis of the Chemical Warfare Agent VX Using Zr6-Based Metal-Organic Frameworks.

    Science.gov (United States)

    Moon, Su-Young; Wagner, George W; Mondloch, Joseph E; Peterson, Gregory W; DeCoste, Jared B; Hupp, Joseph T; Farha, Omar K

    2015-11-16

    The nerve agent VX is among the most toxic chemicals known to mankind, and robust solutions are needed to rapidly and selectively deactivate it. Herein, we demonstrate that three Zr6-based metal-organic frameworks (MOFs), namely, UiO-67, UiO-67-NH2, and UiO-67-N(Me)2, are selective and highly active catalysts for the hydrolysis of VX. Utilizing UiO-67, UiO-67-NH2, and UiO-67-N(Me)2 in a pH 10 buffered solution of N-ethylmorpholine, selective hydrolysis of the P-S bond in VX was observed. In addition, UiO-67-N(Me)2 was found to catalyze VX hydrolysis with an initial half-life of 1.8 min. This half-life is nearly 3 orders of magnitude shorter than that of the only other MOF tested to date for hydrolysis of VX and rivals the activity of the best nonenzymatic materials. Hydrolysis utilizing Zr-based MOFs is also selective and facile in the absence of pH 10 buffer (just water) and for the destruction of the toxic byproduct EA-2192.

  1. Background chemistry for chemical warfare agents and decontamination processes in support of delisting waste streams at the U.S. Army Dugway Proving Ground, Utah

    Energy Technology Data Exchange (ETDEWEB)

    Rosenblatt, D.H.; Small, M.J.; Kimmell, T.A.; Anderson, A.W.

    1996-04-01

    The State of Utah, Department of Environmental Quality (DEQ), Division of Solid and Hazardous Waste (DSHW), has declared residues resulting from the demilitarization, treatment, cleanup, and testing of military chemical agents to be hazardous wastes. These residues have been designated as corrosive, reactive, toxic, and acute hazardous (Hazardous Waste No. F999). The RCRA regulations (40 Code of Federal Regulations [CFR] 260-280), the Utah Administrative Code (R-315), and other state hazardous waste programs list specific wastes as hazardous but allow generators to petition the regulator to {open_quotes}delist,{close_quotes} if it can be demonstrated that such wastes are not hazardous. The U.S. Army Test and Evaluation Command (TECOM) believes that certain categories of F999 residues are not hazardous and has obtained assistance from Argonne National Laboratory (Argonne) to make the delisting demonstration. The objective of this project is to delist chemical agent decontaminated residues resulting from materials testing activities and to delist a remediation residue (e.g., contaminated soil). To delist these residues, it must be demonstrated that the residues (1) do not contain hazardous quantities of the listed agents; (2) do not contain hazardous quantities of constituents listed in 40 CFR Part 261, Appendix VIII; (3) do not exhibit other characteristics that could define the residues as hazardous; and (4) do not fail a series of acute toxicity tests. The first phase will focus on a subset of the F999 wastes generated at the U.S. Army Dugway Proving Ground (DPG), where the Army tests the effects of military chemical agents and agent-decontamination procedures on numerous military items. This effort is identified as Phase I of the Delisting Program. Subsequent phases will address other DPG chemical agent decontaminated residues and remediation wastes and similar residues at other installations.

  2. Application of Zr/Ti-Pic in the adsorption process of Cu(II), Co(II) and Ni(II) using adsorption physico-chemical models and thermodynamics of the process; Aplicacao de Zr/Ti-PILC no processo de adsorcao de Cu(II), Co(II) e Ni(II) utilizando modelos fisico-quimicos de adsorcao e termodinamica do processo

    Energy Technology Data Exchange (ETDEWEB)

    Guerra, Denis Lima; Airoldi, Claudio [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica. Dept. de Quimica Inorganica]. E-mail: dlguerra@iqm.unicamp.br; Lemos, Vanda Porpino; Angelica, Romulo Simoes [Universidade Federal do Para (UFPa), Belem (Brazil); Viana, Rubia Ribeiro [Universidade Federal do Mato Grosso (UFMT), Cuiaba (Brazil). Inst. de Ciencias Exatas e da Terra. Dept. de Recursos Minerais

    2008-07-01

    The aim of this investigation is to study how Zr/Ti-Pic adsorbs metals. The physico-chemical proprieties of Zr/Ti-Pic have been optimized with pillarization processes and Cu(II), Ni(II) and Co(II) adsorption from aqueous solution has been carried out, with maximum adsorption values of 8.85, 8.30 and 7.78 x-1 mmol g{sup -1}, respectively. The Langmuir, Freundlich and Temkin adsorption isotherm models have been applied to fit the experimental data with a linear regression process. The energetic effect caused by metal interaction was determined through calorimetric titration at the solid-liquid interface and gave a net thermal effect that enabled the calculation of the exothermic values and the equilibrium constant. (author)

  3. The role of OH in the chemical evolution of protoplanetary disks : II. Gas-rich environments

    NARCIS (Netherlands)

    Chaparro-Molano, German; Kamp, I.

    2012-01-01

    Context. We present a method for including gas extinction of cosmic-ray-generated UV photons in chemical models of the midplane of protoplanetary disks, focusing on its implications on ice formation and chemical evolution. Aims. Our goal is to improve on chemical models by treating cosmic rays, the

  4. Absorbent pads for Containment, Neutralization, and Clean-Up of Environmental Spills Containing Chemically-Reactive Agents

    Science.gov (United States)

    Davis, Dennis D. (Inventor)

    1997-01-01

    A pad for cleaning up liquid spills is described which contains a porous surface covering, and an absorbent interior containing chemically reactive reagents for neutralizing noxious chemicals within the spilled liquid. The porous surface and the absorbent component would normally consist of chemically resistant materials allowing tentative spill to pass. The absorbent interior which contains the neutralizing reagents can but is not required to be chemically resilient and conducts the liquid chemical spill towards the absorbent interior containing the chemically reactive reagents where the dangerous and undesirable chemicals within the chemical spill are then neutralized as well as removed from the premises.

  5. Handheld and mobile hyperspectral imaging sensors for wide-area standoff detection of explosives and chemical warfare agents

    Science.gov (United States)

    Gomer, Nathaniel R.; Gardner, Charles W.; Nelson, Matthew P.

    2016-05-01

    Hyperspectral imaging (HSI) is a valuable tool for the investigation and analysis of targets in complex background with a high degree of autonomy. HSI is beneficial for the detection of threat materials on environmental surfaces, where the concentration of the target of interest is often very low and is typically found within complex scenery. Two HSI techniques that have proven to be valuable are Raman and shortwave infrared (SWIR) HSI. Unfortunately, current generation HSI systems have numerous size, weight, and power (SWaP) limitations that make their potential integration onto a handheld or field portable platform difficult. The systems that are field-portable do so by sacrificing system performance, typically by providing an inefficient area search rate, requiring close proximity to the target for screening, and/or eliminating the potential to conduct real-time measurements. To address these shortcomings, ChemImage Sensor Systems (CISS) is developing a variety of wide-field hyperspectral imaging systems. Raman HSI sensors are being developed to overcome two obstacles present in standard Raman detection systems: slow area search rate (due to small laser spot sizes) and lack of eye-safety. SWIR HSI sensors have been integrated into mobile, robot based platforms and handheld variants for the detection of explosives and chemical warfare agents (CWAs). In addition, the fusion of these two technologies into a single system has shown the feasibility of using both techniques concurrently to provide higher probability of detection and lower false alarm rates. This paper will provide background on Raman and SWIR HSI, discuss the applications for these techniques, and provide an overview of novel CISS HSI sensors focused on sensor design and detection results.

  6. Structural Studies on Acetylcholinesterase and Paraoxonase Directed Towards Development of Therapeutic Biomolecules for the Treatment of Degenerative Diseases and Protection Against Chemical Threat Agents

    Science.gov (United States)

    Sussman, Joel L.; Silman, Israel

    Acetylcholinesterase and paraoxonase are important targets for treatment of degenerative diseases, Alzheimer's disease and atherosclerosis, respectively, both of which impose major burdens on the health care systems in Western society. Acetylcholinesterase is the target of lethal nerve agents, and paraoxonase is under consideration as a bioscavenger for their detoxification. Both are thus the subject of research and development in the context of nerve agent toxicology. The crystal structures of the two enzymes are described, and structure/function relationships are discussed in the context of drug development and of development of means of protection against chemical threats.

  7. Occurrence and possible sources of arsenic in seafloor sediments surrounding sea-disposed munitions and chemical agents near O´ahu, Hawai´i

    Science.gov (United States)

    Tomlinson, Michael S.; De Carlo, Eric Heinen

    2016-06-01

    The Department of Defense disposed of conventional and chemical munitions as well as bulk containers of chemical agents in US coastal waters including those surrounding the State of Hawai´i. The Hawai´i Undersea Military Munitions Assessment has been collecting biota, water, and sediment samples from two disposal areas south of the island of O´ahu in waters 500 to 600 m deep known to have received both conventional munitions and chemical agents (specifically sulfur mustard). Unlike a number of other sea-disposed munitions investigations which used grabs or corers lowered from surface vessels, we used manned submersibles to collect the samples. Using this approach, we were able to visually identify the munitions and precisely locate our samples in relation to the munitions on the seafloor. This paper focuses on the occurrence and possible sources of arsenic found in the sediments surrounding the disposed military munitions and chemical agents. Using nonparametric multivariate statistical techniques, we looked for patterns in the chemical data obtained from these sediment samples in order to determine the possible sources of the arsenic found in these sediments. The results of the ordination technique nonmetric multidimensional scaling indicate that the arsenic is associated with terrestrial sources and not munitions. This was not altogether surprising given that: (1) the chemical agents disposed of in this area supposedly did not contain arsenic, and (2) the disposal areas studied were under terrestrial influence or served as dredge spoil disposal sites. The sediment arsenic concentrations during this investigation ranged from <1.3 to 40 mg/kg-dry weight with the lower concentrations typically found around control sites and munitions (not located in dredge disposal areas) and the higher values found at dredge disposal sites (with or without munitions). During the course of our investigation we did, however, discover that mercury appears to be loosely associated

  8. CHEMICALLY BONDED CEMENTS FROM BOILER ASH AND SLUDGE WASTES. PHASE II REPORT, SEPT.1998-JULY 1999.

    Energy Technology Data Exchange (ETDEWEB)

    SUGAMA,T.YAGER,K.A.BLANKENHORN,D.(KEYSPAN R AND D INITIATIVE)

    1999-08-01

    Based upon the previous Phase I research program aimed at looking for ways of recycling the KeySpan-generated wastes, such as waste water treatment sludge (WWTS) and bottom ash (BA), into the potentially useful cementitious materials called chemically bonded cement (CBC) materials, the emphasis of this Phase II program done at Brookhaven National Laboratory, in a period of September 1998 through July 1999, was directed towards the two major subjects: One was to assess the technical feasibility of WWTS-based CBC material for use as Pb-exchange adsorbent (PEA) which remediates Pb-contaminated soils in the field; and the other was related to the establishment of the optimum-packaging storage system of dry BA-based CBC components that make it a promising matrix material for the steam-cured concrete products containing sand and coarse aggregate. To achieve the goal of the first subject, a small-scale field demonstration test was carried out. Using the PEA material consisting of 30 wt% WWTS, 13 wt% Type I cement and 57 wt% water, the PES slurry was prepared using a rotary shear concrete mixer, and then poured on the Pb-contaminated soil. The PEA-to-soil ratio by weight was a factor of 2.0. The placed PEA slurry was blended with soil using hand mixing tools such as claws and shovels. The wettability of soils with the PEA was very good, thereby facilitating the soil-PEA mix procedures. A very promising result was obtained from this field test; in fact, the mount of Pb leached out from the 25-day-aged PEA-treated soil specimen was only 0.74 mg/l, meeting the requirement for EPA safe regulation of < 5 mg/l. In contrast, a large amount (26.4 mg/l) of Pb was detected from the untreated soil of the same age. Thus, this finding demonstrated that the WWTS-based CBC has a potential for use as PEA material. Regarding the second subject, the dry-packed storage system consisting of 68.7 wt% BA, 13.0 wt% calcium aluminate cement (CAC), 13.0 wt% Type I portland cement and 5.3 wt

  9. A photometric study of chemically peculiar stars with the STEREO satellites. II. Non-magnetic chemically peculiar stars

    CERN Document Server

    Paunzen, E; Fossati, L; Netopil, M; White, G J; Bewsher, D

    2012-01-01

    We have analysed the photometric data obtained with the STEREO spacecraft for 558 non-magnetic chemically peculiar (CP) stars to search for rotational and pulsational variability. Applying the Lomb-Scargle and the phase dispersion minimisation methods, we have detected photometric variability for 44 objects from which 35 were previously unknown. The new objects are all bright stars on the Ecliptic Plane (magnitude range 4.7 < V < 11.7) and will therefore be of great interest to studies of stellar structure and evolution. In particular, several show multiple signals consistent with hybrid delta Scuti and gamma Doradus pulsation, with different periodicities allowing very different regions of the stellar interior to be studied. There are two subgroups of stars in our sample: the cool metallic line Am (CP1) and the hot HgMn (CP3) stars. These objects fall well inside the classical instability strip where delta Scuti, gamma Doradus and slowly pulsating B-type stars are located. We also expect to find period...

  10. In vitro DNA binding profile of enantiomeric dinuclear Cu(II)/Ni(II) complexes derived from l-/d-histidine-terepthaldehyde reduced Schiff base as potential chemotherapeutic agents.

    Science.gov (United States)

    Yousuf, Imtiyaz; Arjmand, Farukh

    2016-11-01

    New chiral reduced Schiff base ligands, L1 and L2 derived from l-/d-histidine and terepthaldehyde, and their Cu(II) and Ni(II) dinuclear complexes 1 &2 (a and b) were synthesized and thoroughly characterized by various spectroscopic techniques. Comparative binding profile of both l-/d-enantiomeric Cu(II) and Ni(II) complexes with ct-DNA was studied by employing optical and spectroscopic techniques to evaluate their enantiopreferential selectivity towards molecular target DNA and thereby explore their relative chemotherapeutic potential. Quantitative assessment of DNA binding propensity was ascertained by calculating Kb, K and Ksv values of 1 &2 (a and b) which demonstrated higher binding affinity of l-enantiomeric Cu(II) complex, 1a and followed the order as 1a>1b>2a>2b. Scanning electron microscopy (SEM) was used to analyze the morphological changes of the DNA condensate in presence of complexes 1 (a and b). The SEM micrographs condensates revealed morphological transitions and formation of different structural features implicating the condensation process between the complexes and biomolecule occurred to form compact massive structures. The gel electrophoretic assay of complex 1a was carried out with pBR322 plasmid DNA which revealed an efficient cleaving ability of the complex via oxidative pathway with the involvement of singlet oxygen ((1)O2) and the superoxide anion (O2(•-)) radicals as the ROS responsible the cleavage reactions. Molecular docking studies of 1 (a and b) with DNA revealed selective recognition of G-C residues of the narrow minor groove of the DNA duplex and complex 1a demonstrated binding affinity towards DNA ascertained from its higher binding energy values. Furthermore, the cytotoxic assessment of 1a was examined on a panel of cancer cell lines of different histological origin employing SRB assay which revealed remarkably good cytotoxic activity towards HL60, HeLa and MCF7 cancer cell lines.

  11. Effect of ionic interaction between a hyperpolarized magnetic resonance chemical probe and a gadolinium contrast agent for the hyperpolarized lifetime after dissolution

    Science.gov (United States)

    Takakusagi, Yoichi; Inoue, Kaori; Naganuma, Tatsuya; Hyodo, Fuminori; Ichikawa, Kazuhiro

    2016-09-01

    In hyperpolarization of 13C-enriched magnetic resonance chemical probes in the solid-state, a trace amount of gadolinium (Gd) contrast agent can be used to maximize polarization of the 13C nuclear spins. Here, we report systematic measurement of the spin-lattice relaxation time (T1) and enhancement level of 13C-enriched chemical probes in the presence of various Gd contrast agents in the liquid-state after dissolution. Using two different 13C probes having opposite electric charges at neutral pH, we clearly show the T1 of hyperpolarized 13C was barely affected by the use of a Gd complex that displays repulsive interaction with the 13C probe in solution, whilst T1 was drastically shortened when there was ionic attraction between probe and complex.

  12. Dust as interstellar catalyst - II. How chemical desorption impacts the gas

    CERN Document Server

    Cazaux, S; Dulieu, F; Hocuk, S

    2015-01-01

    Context. Interstellar dust particles, which represent 1% of the total mass, are recognized to be very powerful interstellar catalysts in star-forming regions. The presence of dust can have a strong impact on the chemical composition of molecular clouds. While observations show that many species that formed onto dust grains populate the gas phase, the process that transforms solid state into gas phase remains unclear. Aims. The aim of this paper is to consider the chemical desorption process, i.e. the process that releases solid species into the gas phase, in astrochemical models. These models allow determining the chemical composition of star-forming environments with an accurate treatment of the solid-phase chemistry. Methods. In paper I we derived a formula based on experimental studies with which we quantified the efficiencies of the chemical desorption process. Here we extend these results to astrophysical conditions. Results. The simulations of astrophysical environments show that the abundances of gas-p...

  13. Absorbent Analysis of Anniston Chemical Agent Disposal Facility Munition Demilitarization Building (MDB) Banks 1 and 2 Filter Samples Following Completion of The GB Agent and VX Rocket Campaigns

    Science.gov (United States)

    2013-01-01

    relationships to determine the residual life of these filters. The ANCDF design included a MDB air-ventilation system, which consisted of nine carbon... ghost peaks between successive injections that were caused by chemical entrapment in this tubing. The connection between the end of the collection tube... residual adsorption capacity. In this study, carbon samples were examined from MDB Filter Banks 1 and 2 and the PFS Filter, along with a control

  14. Eu(III) complexes as anion-responsive luminescent sensors and paramagnetic chemical exchange saturation transfer agents.

    Science.gov (United States)

    Hammell, Jacob; Buttarazzi, Leandro; Huang, Ching-Hui; Morrow, Janet R

    2011-06-06

    The Eu(III) complex of (1S,4S,7S,10S)-1,4,7,10-tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane (S-THP) is studied as a sensor for biologically relevant anions. Anion interactions produce changes in the luminescence emission spectrum of the Eu(III) complex, in the (1)H NMR spectrum, and correspondingly, in the PARACEST spectrum of the complex (PARACEST = paramagnetic chemical exchange saturation transfer). Direct excitation spectroscopy and luminescence lifetime studies of Eu(S-THP) give information about the speciation and nature of anion interactions including carbonate, acetate, lactate, citrate, phosphate, and methylphosphate at pH 7.2. Data is consistent with the formation of both innersphere and outersphere complexes of Eu(S-THP) with acetate, lactate, and carbonate. These anions have weak dissociation constants that range from 19 to 38 mM. Citrate binding to Eu(S-THP) is predominantly innersphere with a dissociation constant of 17 μM. Luminescence emission peak changes upon addition of anion to Eu(S-THP) show that there are two distinct binding events for phosphate and methylphosphate with dissociation constants of 0.3 mM and 3.0 mM for phosphate and 0.6 mM and 9.8 mM for methyl phosphate. Eu(THPC) contains an appended carbostyril derivative as an antenna to sensitize Eu(III) luminescence. Eu(THPC) binds phosphate and citrate with dissociation constants that are 10-fold less than that of the Eu(S-THP) parent, suggesting that functionalization through a pendent group disrupts the anion binding site. Eu(S-THP) functions as an anion responsive PARACEST agent through exchange of the alcohol protons with bulk water. The alcohol proton resonances of Eu(S-THP) shift downfield in the presence of acetate, lactate, citrate, and methylphosphate, giving rise to distinct PARACEST peaks. In contrast, phosphate binds to Eu(S-THP) to suppress the PARACEST alcohol OH peak and carbonate does not markedly change the alcohol peak at 5 mM Eu(S-THP), 15 mM carbonate at p

  15. Chemical Remediation of Nickel(II) Waste: A Laboratory Experiment for General Chemistry Students

    Science.gov (United States)

    Corcoran, K. Blake; Rood, Brian E.; Trogden, Bridget G.

    2011-01-01

    This project involved developing a method to remediate large quantities of aqueous waste from a general chemistry laboratory experiment. Aqueous Ni(II) waste from a general chemistry laboratory experiment was converted into solid nickel hydroxide hydrate with a substantial decrease in waste volume. The remediation method was developed for a…

  16. MODELING OF THE HEAT PUMP STATION CONTROLABLE LOOP OF AN INTERMEDIATE HEAT-TRANSFER AGENT (Part II

    Directory of Open Access Journals (Sweden)

    Sit M.L.

    2011-08-01

    Full Text Available It is studied the model of the heat pump station controllable loop of an intermediate heat-transfer agent for the use in wineries. There are demonstrated transients after the disturbing action of the temperature on the input of cooling jacket of the fermentation stirred tank. There are compared different control laws of the object.

  17. 'Chemical abundances in H II regions and their implications -- Retrospective on: M. Peimbert & R. Costero, Boletin de los Observatorios de Tonantzintla y Tacubaya, Vol. 5, 3, 1969'

    CERN Document Server

    Peimbert, M

    2009-01-01

    We present a review about the relevance of the paper by Peimbert and Costero (1969), on the chemical abundance determinations of H II regions. We analize the observational evidence in favor of the presence of temperature variations inside gaseous nebulae. We make a brief mention of the methods used to estimate the contribution of the unobserved ions to the total chemical abundances.

  18. The role of OH in the chemical evolution of protoplanetary disks II. Gas-rich environments

    CERN Document Server

    Molano, Germán Chaparro

    2012-01-01

    Context. We present a method for including gas extinction of cosmic-ray-generated UV photons in chemical models of the midplane of protoplanetary disks, focusing on its implications on ice formation and chemical evolution. Aims. Our goal is to improve on chemical models by treating cosmic rays, the main source of ionization in the midplane of the disk, in a way that is consistent with current knowledge of the gas and grain environment present in those regions. We trace the effects of cosmic rays by identifying the main chemical reaction channels and also the main contributors to the gas opacity to cosmic-ray-induced UV photons. This information is crucial in implementing gas opacities for cosmic-ray-induced reactions in full 2D protoplanetary disk models. Methods. We considered time-dependent chemical models within the range 1-10 AU in the midplane of a T Tauri disk. The extinction of cosmic-ray-induced UV photons by gaseous species was included in the calculation of photorates at each timestep. We integrated...

  19. The effect of intermediate mass close binaries on the chemical evolution of Globular Clusters II

    CERN Document Server

    Mennekens, N; De Greve, J P

    2013-01-01

    The chemical processes during the Asymptotic Giant Branch (AGB) evolution of intermediate mass single stars predict most of the observations of the different populations in Globular Clusters although some important issues still need to be further clarified. In particular, to reproduce the observed anticorrelations of Na-O and Al-Mg, chemically enriched gas lost during the AGB phase of intermediate mass single stars must be mixed with matter with a pristine chemical composition. The source of this matter is still a matter of debate. Furthermore, observations reveal that a significant fraction of the intermediate mass and massive stars are born as components of close binaries. We will investigate the effects of binaries on the chemical evolution of Globular Clusters and on the origin of matter with a pristine chemical composition that is needed for the single star AGB scenario to work. We use a population synthesis code that accounts for binary physics in order to estimate the amount and the composition of the ...

  20. Acomprehensive study of high metallicity giant extragalactic h ii regions: chemical abundances

    Directory of Open Access Journals (Sweden)

    Marcelo Castellanos

    2002-01-01

    Full Text Available Hemos realizado observaciones espectrofotom etricas en el optico e infrarrojo cercano de 15 regiones H II en las galaxias espirales NGC 628, NGC 925, NGC 1232 y NGC 1637. Dichas observaciones han sido realizadas con una amplia cobertura espectral y con una resoluci on su ciente para detectar y medir tanto las d ebiles l neas aurorales como las caracter sticas de estrellas Wolf-Rayet (WR. Hemos derivado la temperatura electr onica en las regiones observadas con el n de investigar la estructura de ionizaci on de las mismas y la composici on qu mica del gas. De esta manera, hemos seleccionado de la muestra de Van Zee et al. (1998, aquellas regiones H II gigantes cuya metalicidad, obtenida a partir de calibraciones emp ricas basadas en las l neas prohibidas del ox geno, es solar o sobresolar.

  1. Physical and chemical bases of synthesis of cobalt(II sulfide in the reverse microemulsion

    Directory of Open Access Journals (Sweden)

    Teslyuk D.A.

    2015-03-01

    Full Text Available This paper presents the research results of stability of reverse microemulsion which consists of sodium dodecyl sulfate (SDS / n-butanol – water – heptane in the presence of an aqueous phase dissolved cobalt(II sulfate and sodium sulfide. The results of the spectrophotometric and conductometric studies of microemulsion have been presented. The dependence of reverse microemulsion electrical conductivity and optical density on the phase relation has been indicated. Based on these results some assumptions of the ongoing structural changes in the microemulsions have been made. Thermodynamic calculation describing boundary formation of cobalt(II sulfide precipitate in aqueous solution depending on pH has been carried out, the competing hydrolysis reactions have been estimated

  2. Chemical and Physical Characterization of Comp A-3 Type II Prills

    Science.gov (United States)

    2013-06-01

    by other authorized documents . Citation of manufacturer’s or trade names does not constitute an official endorsement or approval of the use thereof...distribution unlimited. ii REPORT DOCUMENTATION PAGE Form Approved OMB No. 0704-0188 Public reporting burden for this collection of information is...was used to evaluate RDX crystals (R021 and R210) made under controlled conditions at Los Alamos National Laboratory ( LANL ). 3. Results and

  3. Acomprehensive study of high metallicity giant extragalactic h ii regions: chemical abundances

    OpenAIRE

    Marcelo Castellanos; Díaz, Angeles I.; Elena Terlevich

    2002-01-01

    Hemos realizado observaciones espectrofotom etricas en el optico e infrarrojo cercano de 15 regiones H II en las galaxias espirales NGC 628, NGC 925, NGC 1232 y NGC 1637. Dichas observaciones han sido realizadas con una amplia cobertura espectral y con una resoluci on su ciente para detectar y medir tanto las d ebiles l neas aurorales como las caracter sticas de estrellas Wolf-Rayet (WR). Hemos derivado la temperatura electr onica en las regiones observadas con el n de investi...

  4. ADSORPTION CHARACTERIZATION OF CO(II IONS ONTO CHEMICALLY TREATED QUERCUS COCCIFERA SHELL: EQUILIBRIUM, KINETIC AND THERMODYNAMIC STUDIES

    Directory of Open Access Journals (Sweden)

    M. Hamdi Karaoglu

    2011-04-01

    Full Text Available Quercus coccifera shell (QCS, a relatively abundant and inexpensive material, is currently being investigated as an adsorbent to remove cobalt(II from water. Before the adsorption experiments, QCS was subjected to chemical treatment to provide maximum surface area. Then, the kinetics and adsorption mechanism of Co(II ions on QCS were studied using different parameters such as adsorbent dosage, initial concentration, temperature, contact time, and solution pH. The loaded metals could be desorbed effectively with dilute hydrochloric acid, nitric acid, and 0.1 M EDTA. The Langmuir and Freundlich models were used to describe the uptake of cobalt on QCS. The equilibrium adsorption data were better fitted to Langmuir adsorption isotherm model. The maximum adsorption capacity (qm of QCS for Co(II was 33 mg g-1. Various kinetic models were used to describe the adsorption process. The adsorption followed pseudo second-order kinetic model. The intraparticle diffusion was found to be the rate-limiting step in the adsorption process. The diffusion coefficients were calculated and found to be in the range of 3.11×10−6 to 168.78×10−6 cm2s-1. The negative DH* value indicated exothermic nature of the adsorption.

  5. Risk Assessment of New Chemical Substances. Applicability of EXAMS II as an advanced Water Quality Model

    NARCIS (Netherlands)

    de Nijs ACM; Burns LA

    1990-01-01

    In the cluster project "Risk Assessment of New Chemical Substances methods are developed to systematically predict and assess the hazards for man and environment. After the basic screening of a substance has been carried out, a more extensive study can be performed using models adhered to the

  6. PERFORMANCE OF NORTH AMERICAN BIOREACTOR LANDFILLS: II. CHEMICAL AND BIOLOGICAL CHARACTERISTICS

    Science.gov (United States)

    The objective of this research was to examine the performance of five North American bioreactor landfills. This paper represents the second of a two part series and addresses biological and chemical aspects of bioreactor performance including gas production and management, and l...

  7. Iso-chemical potential trajectories in the P-T plane for He II

    Science.gov (United States)

    Maytal, B.; Nissen, J. A.; Van Sciver, S. W.

    1990-01-01

    Trajectories of constant chemical potential in the P-T plane serve as an integral formulation of London's equation. The trajectories are useful for analysis and synthesis of fountain effect pump performance. A family of trajectories is generated from available numerical codes.

  8. Innovations in bonding to zirconia-based materials. Part II: focusing on chemical interactions

    NARCIS (Netherlands)

    M.N. Aboushelib; H. Mirmohamadi; J.P. Matinlinna; E. Kukk; H.F. Ounsi; Z. Salameh

    2009-01-01

    Objectives: The zirconia-resin bond strength was enhanced using novel engineered zirconia primers in combination with selective infiltration etching as a surface pre-treatment. The aim of this study was to evaluate the effect of artificial aging on the chemical stability of the established bond and

  9. Development of Novel Decontamination Techniques for Chemical Agents (GB, VX, HD) Contaminated Facilities. Phase II. Laboratory Evaluation of Novel Agent Decontamination Concepts

    Science.gov (United States)

    1985-06-21

    Frijlink, C., "Degradation of S-2-di-isopropyla- minoethyl O-ethyl Methylphosphonothioate in Soil:Sulphur Containing Products", Pestic . Science, 8, 510-514...Soil:Phosphorus Containing Products", Pestic . Science, 7, 355-362 (1976). 586 ............ APPENDIX VIII SUBTASK 10. JACADS DECONTAMINANT DATA BASE 587

  10. Fate of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX) on soil following accelerant-based fire and liquid decontamination.

    Science.gov (United States)

    Gravett, M R; Hopkins, F B; Self, A J; Webb, A J; Timperley, C M; Riches, J R

    2014-08-01

    In the event of alleged use of organophosphorus nerve agents, all kinds of environmental samples can be received for analysis. These might include decontaminated and charred matter collected from the site of a suspected chemical attack. In other scenarios, such matter might be sampled to confirm the site of a chemical weapon test or clandestine laboratory decontaminated and burned to prevent discovery. To provide an analytical capability for these contingencies, we present a preliminary investigation of the effect of accelerant-based fire and liquid decontamination on soil contaminated with the nerve agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). The objectives were (a) to determine if VX or its degradation products were detectable in soil after an accelerant-based fire promoted by aviation fuel, including following decontamination with Decontamination Solution 2 (DS2) or aqueous sodium hypochlorite, (b) to develop analytical methods to support forensic analysis of accelerant-soaked, decontaminated and charred soil and (c) to inform the design of future experiments of this type to improve analytical fidelity. Our results show for the first time that modern analytical techniques can be used to identify residual VX and its degradation products in contaminated soil after an accelerant-based fire and after chemical decontamination and then fire. Comparison of the gas chromatography-mass spectrometry (GC-MS) profiles of VX and its impurities/degradation products from contaminated burnt soil, and burnt soil spiked with VX, indicated that the fire resulted in the production of diethyl methylphosphonate and O,S-diethyl methylphosphonothiolate (by an unknown mechanism). Other products identified were indicative of chemical decontamination, and some of these provided evidence of the decontaminant used, for example, ethyl 2-methoxyethyl methylphosphonate and bis(2-methoxyethyl) methylphosphonate following decontamination with DS2. Sample preparation

  11. ALTERNATIVE BINDERS TO BENTONITE FOR IRON ORE PELLETIZING : PART II : EFFECTS ON METALLURGICAL AND CHEMICAL PROPERTIES

    Directory of Open Access Journals (Sweden)

    Osman Sivrikaya

    2014-07-01

    Full Text Available This study was started to find alternative binders to bentonite and to recover the low preheated and fired pellet mechanical strengths of organic binders-bonded pellets. Bentonite is considered as a chemical impurity for pellet chemistry due to acid constituents (SiO2 and Al2O3. Especially addition of silica-alumina bearing binders is detrimental for iron ore concentrate with high acidic content. Organic binders are the most studied binders since they are free in silica. Although they yield pellets with good wet strength; they have found limited application in industry since they fail to give sufficient physical and mechanical strength to preheated and fired pellets. It is investigated that how insufficient preheated and fired pellet strengths can be improved when organic binders are used as binder. The addition of a slag bonding/strength increasing constituent (free in acidic contents into pellet feed to provide pellet strength with the use of organic binders was proposed. Addition of boron compounds such as colemanite, tincal, borax pentahydrate, boric acid together with organic binders such as CMC, starch, dextrin and some organic based binders, into magnetite and hematite pellet mixture was tested. After determining the addition of boron compounds is beneficial to recover the low pellet physical and mechanical qualities in the first part of this study, in this second part, metallurgical and chemical properties (reducibility - swelling index – microstructure – mineralogy - chemical content of pellets produced with combined binders (an organic binder plus a boron compound were presented. The metallurgical and chemical tests results showed that good quality product pellets can be produced with combined binders when compared with the bentonite-bonded pellets. Hence, the suggested combined binders can be used as binder in place of bentonite in iron ore pelletizing without compromising the pellet chemistry.

  12. Comparison of chemical and thermal protein denaturation by combination of computational and experimental approaches. II

    Science.gov (United States)

    Wang, Qian; Christiansen, Alexander; Samiotakis, Antonios; Wittung-Stafshede, Pernilla; Cheung, Margaret S.

    2011-11-01

    Chemical and thermal denaturation methods have been widely used to investigate folding processes of proteins in vitro. However, a molecular understanding of the relationship between these two perturbation methods is lacking. Here, we combined computational and experimental approaches to investigate denaturing effects on three structurally different proteins. We derived a linear relationship between thermal denaturation at temperature Tb and chemical denaturation at another temperature Tu using the stability change of a protein (ΔG). For this, we related the dependence of ΔG on temperature, in the Gibbs-Helmholtz equation, to that of ΔG on urea concentration in the linear extrapolation method, assuming that there is a temperature pair from the urea (Tu) and the aqueous (Tb) ensembles that produces the same protein structures. We tested this relationship on apoazurin, cytochrome c, and apoflavodoxin using coarse-grained molecular simulations. We found a linear correlation between the temperature for a particular structural ensemble in the absence of urea, Tb, and the temperature of the same structural ensemble at a specific urea concentration, Tu. The in silico results agreed with in vitro far-UV circular dichroism data on apoazurin and cytochrome c. We conclude that chemical and thermal unfolding processes correlate in terms of thermodynamics and structural ensembles at most conditions; however, deviations were found at high concentrations of denaturant.

  13. Atomic data for Zn II - Improving Spectral Diagnostics of Chemical Evolution in High-redshift Galaxies

    CERN Document Server

    Kisielius, Romas; Ferland, Gary J; Bogdanovich, Pavel; Som, Debopam; Lykins, Matt L

    2015-01-01

    Damped Lyman-alpha (DLA) and sub-DLA absorbers in quasar spectra provide the most sensitive tools for measuring element abundances of distant galaxies. Estimation of abundances from absorption lines depends sensitively on the accuracy of the atomic data used. We have started a project to produce new atomic spectroscopic parameters for optical/UV spectral lines using state-of-the-art computer codes employing very broad configuration interaction basis. Here we report our results for Zn II, an ion used widely in studies of the interstellar medium (ISM) as well as DLA/sub-DLAs. We report new calculations of many energy levels of Zn II, and the line strengths of the resulting radiative transitions. Our calculations use the configuration interaction approach within a numerical Hartree-Fock framework. We use both non-relativistic and quasi-relativistic one-electron radial orbitals. We have incorporated the results of these atomic calculations into the plasma simulation code Cloudy, and applied them to a lab plasma a...

  14. Atomic data for S II - Toward Better Diagnostics of Chemical Evolution in High-redshift Galaxies

    CERN Document Server

    Kisielius, Romas; Ferland, Gary J; Bogdanovich, Pavel; Lykins, Matt L

    2013-01-01

    Absorption-line spectroscopy is a powerful tool used to estimate element abundances in the nearby as well as distant universe. The accuracy of the abundances thus derived is, naturally, limited by the accuracy of the atomic data assumed for the spectral lines. We have recently started a project to perform the new extensive atomic data calculations used for optical/UV spectral lines in the plasma modeling code Cloudy using state-of-the-art quantal calculations. Here we demonstrate our approach by focussing on S II, an ion used to estimate metallicities for Milky Way interstellar clouds as well as distant damped Lyman-alpha (DLA) and sub-DLA absorber galaxies detected in the spectra of quasars and gamma-ray bursts (GRBs). We report new extensive calculations of a large number of energy levels of S II, and the line strengths of the resulting radiative transitions. Our calculations are based on the configuration interaction approach within a numerical Hartree-Fock framework, and utilize both non-ralativistic and ...

  15. Animal Capture Agents

    Science.gov (United States)

    1990-01-01

    agents and delivery systems reviewed . Questionnaires were sent to 137 Air Force bases to obtain information about the chemical agents and delivery systems...used by animal control personnel. A literature review included chemical agents, delivery methods, toxicity information and emergency procedures from...34-like agent. Users should familiarize themselves with catatonia in general and particularly that its successful use as an immobilizer doesn’t necessarily

  16. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  17. Investigations on the adsorbents for uremic middle molecular toxins (II) —Influences of crosslinking agent chain length on the adsorption capacities of crosslinked chitosan adsorbents

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Chitosan resins, which clinically served as adsorbents in hemoperfusion therapy, were prepared with reversed-phase suspension methodology using three differently structured crosslinking agents, methanal, glyoxal and glutaraldehyde. And the glyoxal and glutaraldehyde crosslinked chitosan resins were reduced with NaBH4 afterwards. By analyzing the results from FTIR and SEM, it was found that the reduction treatment to the adsorbents efficiently improved the chemical stability of these chitosan resins, and the shifts in crosslinking agents exerted influences over the morphologies of the adsorbents obviously. After being put to use in the adsorption tests upon some model uremic middle molecular toxins and BSA in vitro, all three adsorbents demon- strated a fairly realistic adsorption capability to the model toxins but little to BSA. And the adsorp- tion process reached the equilibrium in a clinically qualified short time. But the adsorption capaci- ties of these adsorbents to the model toxins were quite different. It had been found that with the growing of fatty chain length of crosslinking agent, these adsorbents showed a gradually increased adsorption capacity to the model toxins, and the glutaraldehyde crosslinked chitosan resin be- haved best.

  18. DNA interstrand cross-links of an antitumor trinuclear platinum(II) complex: thermodynamic analysis and chemical probing.

    Science.gov (United States)

    Malina, Jaroslav; Farrell, Nicholas P; Brabec, Viktor

    2011-06-06

    The trinuclear platinum compound [{trans-PtCl(NH(3))(2)}(2)(μ-trans-Pt(NH(3))(2){NH(2)(CH(2))(6)NH(2)}(2))](4+) (BBR3464) belongs to the polynuclear class of platinum-based anticancer agents. These agents form in DNA long-range (Pt,Pt) interstrand cross-links, whose role in the antitumor effects of BBR3464 predominates. Our results show for the first time that the interstrand cross-links formed by BBR3464 between two guanine bases in opposite strands separated by two base pairs (1,4-interstrand cross-links) exist as two distinct conformers, which are not interconvertible, not only if these cross-links are formed in the 5'-5', but also in the less-usual 3'-3' direction. Analysis of the conformers by differential scanning calorimetry, chemical probes of DNA conformation, and minor groove binder Hoechst 33258 demonstrate that each of the four conformers affects DNA in a distinctly different way and adopts a different conformation. The results also support the thesis that the molecule of antitumor BBR3464 when forming DNA interstrand cross-links may adopt different global structures, including different configurations of the linker chain of BBR3464 in the minor groove of DNA. Our findings suggest that the multiple DNA interstrand cross-links available to BBR3464 may all contribute substantially to its cytotoxicity.

  19. Chemical consequences of pyrazole orientation in Ru(II) complexes of unsymmetric quinoline-pyrazole ligands.

    Science.gov (United States)

    Hedberg Wallenstein, Joachim; Fredin, Lisa A; Jarenmark, Martin; Abrahamsson, Maria; Persson, Petter

    2016-08-07

    A series of homoleptic Ru(II) complexes including the tris-bidentate complexes of a new bidentate ligand 8-(1-pyrazol)-quinoline (Q1Pz) and bidentate 8-(3-pyrazol)-quinoline (Q3PzH), as well as the bis-tridentate complex of bis(quinolinyl)-1,3-pyrazole (DQPz) was studied. Together these complexes explore the orientation of the pyrazole relative to the quinoline. By examining the complexes structurally, photophysically, photochemically, electrochemically, and computationally by DFT and TD-DFT, it is shown that the pyrazole orientation has a significant influence on key properties. In particular, its orientation has noticeable effects on oxidation and reduction potentials, photostability and proton sensitivity, indicating that [Ru(Q3PzH)3](2+) is a particularly good local environment acidity-probe candidate.

  20. Prophylactic effect of topical silica nanoparticles as a novel antineovascularization agent for inhibiting corneal neovascularization following chemical burn

    Directory of Open Access Journals (Sweden)

    Mehrdad Mohammadpour

    2015-01-01

    Conclusions: SiNPs is an effective modality for inhibiting corneal neovascularization following chemical burn in an experimental model. Further investigations are suggested for evaluation of its safety and efficacy in human eyes.

  1. Towards chemical analysis of nanostructures in biofilms II: tip-enhanced Raman spectroscopy of alginates.

    Science.gov (United States)

    Schmid, Thomas; Messmer, Andreas; Yeo, Boon-Siang; Zhang, Weihua; Zenobi, Renato

    2008-07-01

    This study examines the feasibility of using tip-enhanced Raman spectroscopy (TERS) for label-free chemical characterization of nanostructures in biological systems. For this purpose, a well-defined model system consisting of calcium alginate fibers is studied. In a companion paper, calcium alginate fibers and their network structures were shown to be a good model for the extracellular polysaccharides of biofilms at the nanoscale. TERS analysis of biological macromolecules, such as alginates, is complicated by heterogeneity in their sequence, molecular weight, and conformations, their small Raman cross-section, and the large number of functional groups, which can chemically interact with the silver surface of the tip and cause significant band shifts. Due to these effects, Raman frequencies in TERS spectra of biopolymers do not necessarily resemble band positions in the normal Raman spectrum of the bulk material, as is the case for less complex samples (e.g., dye molecules) studied so far. Additionally, analyte decomposition due to laser heating can have a significant influence, and carbon contamination signals can sometimes even overwhelm the weak analyte signals. Based on the investigation of alginates, strategies for spectra correction, choice of appropriate reference samples, and data interpretation are presented. With this approach, characteristic frequency ranges and specific marker bands can be found for biological macromolecules that can be employed for their identification in complex environments.

  2. A multi-time-scale analysis of chemical reaction networks: II. Stochastic systems.

    Science.gov (United States)

    Kan, Xingye; Lee, Chang Hyeong; Othmer, Hans G

    2016-11-01

    We consider stochastic descriptions of chemical reaction networks in which there are both fast and slow reactions, and for which the time scales are widely separated. We develop a computational algorithm that produces the generator of the full chemical master equation for arbitrary systems, and show how to obtain a reduced equation that governs the evolution on the slow time scale. This is done by applying a state space decomposition to the full equation that leads to the reduced dynamics in terms of certain projections and the invariant distributions of the fast system. The rates or propensities of the reduced system are shown to be the rates of the slow reactions conditioned on the expectations of fast steps. We also show that the generator of the reduced system is a Markov generator, and we present an efficient stochastic simulation algorithm for the slow time scale dynamics. We illustrate the numerical accuracy of the approximation by simulating several examples. Graph-theoretic techniques are used throughout to describe the structure of the reaction network and the state-space transitions accessible under the dynamics.

  3. Chemical Processes in Protoplanetary Disks II. On the importance of photochemistry and X-ray ionization

    CERN Document Server

    Walsh, Catherine; Millar, T J; Aikawa, Yuri

    2012-01-01

    We investigate the impact of photochemistry and X-ray ionization on the molecular composition of, and ionization fraction in, a protoplanetary disk surrounding a typical T Tauri star. We use a sophisticated physical model, which includes a robust treatment of the radiative transfer of UV and X-ray radiation, and calculate the time-dependent chemical structure using a comprehensive chemical network. In previous work, we approximated the photochemistry and X-ray ionization, here, we recalculate the photoreaction rates using the explicit UV wavelength spectrum and wavelength-dependent reaction cross sections. We recalculate the X-ray ionization rate using our explicit elemental composition and X-ray energy spectrum. We find photochemistry has a larger influence on the molecular composition than X-ray ionization. Observable molecules sensitive to the photorates include OH, HCO+, N2H+, H2O, CO2 and CH3OH. The only molecule significantly affected by the X-ray ionization is N2H+ indicating it is safe to adopt existi...

  4. Superhydrophobic powder additives to enhance chemical agent resistant coating systems for military equipment for the U.S. Marine Corps (USMC) Corrosion Prevention and Control (CPAC) Program

    Energy Technology Data Exchange (ETDEWEB)

    Pawel, Steven J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Armstrong, Beth L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Haynes, James A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-07-01

    The primary goal of the CPAC program at ORNL was to explore the feasibility of introducing various silica-based superhydrophobic (SH) powder additives as a way to improve the corrosion resistance of US Department of Defense (DOD) military-grade chemical agent resistant coating (CARC) systems. ORNL had previously developed and patented several SH technologies of interest to the USMC, and one of the objectives of this program was to identify methods to incorporate these technologies into the USMC’s corrosion-resistance strategy. This report discusses findings of the CPAC and their application.

  5. Facile "living" radical polymerization of methyl methacrylate in the presence of iniferter agents: homogeneous and highly efficient catalysis from copper(II) acetate.

    Science.gov (United States)

    Jiang, Hongjuan; Zhang, Lifen; Jiang, Xiaowu; Bao, Xiaoguang; Cheng, Zhenping; Zhu, Xiulin

    2014-08-01

    A facile homogeneous polymerization system involving the iniferter agent 1-cyano-1-methylethyl diethyldithiocarbamate (MANDC) and copper(II) acetate (Cu(OAc)2 ) is successfully developed in bulk using methyl methacylate (MMA) as a model monomer. The detailed polymerization kinetics with different molar ratios (e.g., [MMA]0 /[MANDC]0 /[Cu(OAc)2 ]0 = 500/1/x (x = 0.1, 0.2, 0.5, 1.0)) demonstrate that this system has the typical "living"/controlled features of "living" radical polymerization, even with ppm level catalyst Cu(OAc)2 , first order polymerization kinetics, a linear increase in molecular weight with monomer conversion and narrow molecular weight distributions for the resultant PMMA. (1) H NMR spectra and chain-extension experiments further confirm the "living" characteristics of this process. A plausible mechanism is discussed.

  6. [Historical review on chemical and medical studies of globefish toxin before World War II].

    Science.gov (United States)

    Suehiro, M

    1994-01-01

    "Fugu," a species of globefish has eaten by Japanese people for a long time, so globefish poisoning in Japan has been prevalent. Figures are shown in the Annual Food Poisoning Report collected and issued by health service authorities of Japanese Government since 1879. These reports prompted Dr. Yoshizumi Tahara, National Institute of Hygienic Sciences to conduct a chemical investigation of the toxic substance of globefish in 1884. However, the analysis was very difficult and his report of investigation was delayed. Before publication of the report of Dr. Tahara, pharmacological and toxicological studies of globefish poisoning were reported by three research groups from the Facultly of Medicine, University of Tokyo in 1889. These reports concluded that globefish poison has curare-like activity and its distribution was limited to specific organs such as the ovaries and the liver. Dr. Tahara successfully isolated the poison from aqueaous extract of ovaries of globefish by precipitation with lead acetate in the presence of ammonia. He presented the results at the monthly meeting of the Pharmaceutical Society of Japan in July 1894. He continued the studies and established an improved method for extraction and purification suitable for large-scale production. Finally, he confirmed that globefish contains only one toxic substance and named it Tetrodotoxin (TTX) in 1909. He elucidated the chemical nature of TTX as follows: 1) TTX is an amorphous hygroscopic powder and its character is neither alkaloid nor protein. 2) The possibility of TTX being a protamine was excluded by chemical analysis. Before the discovery ot TTX, according to folklore, globefish was regarded as medicine for leprosy because flesh of globefish contaminated with a sublethal dose of toxic substance alleviated the neuralgia of patients affected with leprosy. The clinical effect of TTX prepared by Tahara's method to suppress severe neuralgia due to leprosy and to reduce muscle spasms due to tetanus were

  7. Combined analysis of chemical bonding in a Cu(II) dimer using QTAIM, Voronoi tessellation and Hirshfeld surface approaches.

    Science.gov (United States)

    Vologzhanina, Anna V; Kats, Svitlana V; Penkova, Larisa V; Pavlenko, Vadim A; Efimov, Nikolay N; Minin, Vadim V; Eremenko, Igor L

    2015-10-01

    Interaction of 1-(1H-pyrazol-5-yl)ethanone oxime (H2PzOx) with copper(II) chloride in the presence of pyridine afforded a binuclear discrete [Cu2(HPzOx)2Cl2py2] complex, which was characterized by Fourier transform-IR and electron paramagnetic resonance (EPR) spectra, magnetochemistry and high-resolution X-ray diffraction experiments. Multipole refinement of X-ray diffraction data and density-functional theory (DFT) calculations of an isolated molecule allowed charge and spin distributions to be obtained for this compound. Magnetochemistry data, EPR spectra and DFT calculations of an isolated molecule show antiferromagnetic coupling between copper(II) ions. The spin distribution suggests an exchange pathway via the bridging pyrazole ring in the equatorial plane of the CuN4Cl coordination polyhedron, thus providing support for the classical superexchange mechanism; the calculated value of the magnetic coupling constant -2J is equal to 220 cm(-1), which compares well with the experimental value of 203 ± 2 cm(-1). Chemical connectivity was derived by Bader's 'quantum theory of atoms in molecules' and compared with Voronoi tessellation and Hirshfeld surface representations of crystal space. All methodologies gave a similar qualitative and semi-quantitative description of intra- and intermolecular connectivity.

  8. A pan-European study of capabilities to manage mass casualties from the release of chemical agents: the MASH project.

    Science.gov (United States)

    Baker, David J; Murray, Virginia S G; Carli, Pierre A

    2013-01-01

    The European Union (EU) Mass Casualties and Health (MASH) project that ran between 2008 and 2010 was designed to study the management of mass casualties from chemical and radiological releases and associated health implications. One area of study for this project concerned arrangements within EU Member States for the management of mass casualties following a chemical release. This was undertaken via a confidential online questionnaire that was sent to selected points of contact throughout the EU. Responses were obtained from 18 states from respondents holding senior positions in chemical planning and incident response. Information gathered shows a lack of uniformity within the EU about the organization of responses to chemical releases and the provision of medical care. This article presents the overall findings of the study demonstrating differences between countries on planning and organization, decontamination, prehospital emergency medical responses, clinical diagnoses, and therapy and aftercare. Although there may be an understandable reluctance from national respondents to share information on security and other grounds, the findings, nevertheless, revealed substantial differences between current planning and operational responses within the EU states for the management of mass chemical casualties. The existing international networks for response to radiation incidents are not yet matched by equivalent networks for chemical responses yet sufficient information was available from the study to identify potential deficiencies, identify common casualty management pathways, and to make recommendations for future operations within the EU. Improvements in awareness and training and the application of modern information and communications will help to remedy this situation. Specialized advanced life support and other medical care for chemical casualties appear lacking in some countries. A program of specialized training and action are required to apply the findings

  9. Synthesis, characterization and application of a novel chemical sand-fixing agent-poly(aspartic acid) and its composites

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jun [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, Beijing 100029 (China); Wang Fang [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, Beijing 100029 (China); Fang Li [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, Beijing 100029 (China); Tan Tianwei [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, Beijing 100029 (China)]. E-mail: twtan@mail.buct.edu.cn

    2007-09-15

    A novel sand-fixing agent-poly(aspartic acid) and its composites were synthesized to improve sand particles compressive strength and anti-wind erosion properties. The relationship between the concentration of sand-fixing agent and the sand-fixing properties was studied by three kinds of aging tests. Some composites were choose to improve the sand-fixing property and the composition of 40% xanthan gum and 60% ethyl cellulose were chosen to compare sand-fixing property with lignosulfonate. The results showed that the sand-fixing and water-retaining properties of xanthan gum and ethyl cellulose composites were better than that of lignosulfonate. The biodegradability experiment showed that the PASP and its composites were environment-friendly products and the field test showed that the PASP composites could improve wind erosion disturbance. - A novel biodegradability polymer significantly improved sand particles' compressive strength and anti-wind erosion properties.

  10. Physical and chemical cross analyses of II-VI semiconductor nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Dalmasso, S.; Laurenti, J.P. [Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine, Metz (France); Arl, D.; Fregnaux, M. [Laboratoire de Physique des Milieux Denses, Universite Paul Verlaine, Metz (France); Laboratoire de Spectrometrie de Masse et de Chimie Laser, Universite Paul Verlaine, Metz (France); Gaumet, J.J. [Laboratoire de Spectrometrie de Masse et de Chimie Laser, Universite Paul Verlaine, Metz (France); Zhang, Y. [Laboratoire d' Etude des Textures et Applications aux Materiaux, Univ. Paul Verlaine, Metz (France)

    2010-06-15

    CdS quantum dots (QDs) are synthesized by the single source precursor thermal method. Compared with previous reports, a temperature ramp allows faster elaboration of smaller nanocrystals (NCs) with efficient room temperature (RT) visible emission. A cross-disciplinary study between chemical analyses and physical techniques provides consistent data for these small NCs. Joint mass spectrometry, transmission electron microscopy and optical spectrometry techniques give a consistent picture about purity and stability of precursors, average size and size dispersion of the NCs, as well as their optical spectral response in correlation with their size via quantum confinement effects. RT photoluminescence spectroscopy reveals the great potential of such QDs and their tunable response wavelength in the visible spectrum. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. The fragmentation pathways of protonated Amiton in the gas phase: towards the structural characterisation of organophosphorus chemical warfare agents by electrospray ionisation tandem mass spectrometry.

    Science.gov (United States)

    Ellis-Steinborner, Simon; Ramachandran, Aravind; Blanksby, Stephen J

    2006-01-01

    Amiton (O,O-diethyl-S-[2-(diethylamino)ethyl] phosphorothiolate), otherwise known as VG, is listed in schedule 2 of the Chemical Weapons Convention (CWC) and has a structure closely related to VX (O-ethyl-S-(2-diisopropylamino)ethylmethylphosphonothiolate). Fragmentation of protonated VG in the gas phase was performed using electrospray ionisation ion trap mass spectrometry (ESI-ITMS) and revealed several characteristic product ions. Quantum chemical calculations provide the most probable structures for these ions as well as the likely unimolecular mechanisms by which they are formed. The decomposition pathways predicted by computation are consistent with deuterium-labeling studies. The combination of experimental and theoretical data suggests that the fragmentation pathways of VG and analogous organophosphorus nerve agents, such as VX and Russian VX, are predictable and thus ESI tandem mass spectrometry is a powerful tool for the verification of unknown compounds listed in the CWC.

  12. Guidelines for Use of Personal Protective Equipment by Law Enforcement Personnel During a Terrorist Chemical Agent Incident. Revision 2

    Science.gov (United States)

    2003-12-01

    Benzene (gasoline) G-14 CNC – Chloroform CNS – Flypaper CS – Pepper like CR – Burning sensation PS – Stinging, pungent NOTE: Agent odors...skin (direct contact), digestive system (ingestion). (e) Eye effects and stinging sensation are immediate, prompt burning redness within 30...produces pain (strong stinging sensation similar to bee stings) will also produce skin necrosis at the site of contact. The area becomes blanched

  13. Functional analysis of the class II hydrophobin gene HFB2-6 from the biocontrol agent Trichoderma asperellum ACCC30536.

    Science.gov (United States)

    Huang, Ying; Mijiti, Gulijimila; Wang, Zhiying; Yu, Wenjing; Fan, Haijuan; Zhang, Rongshu; Liu, Zhihua

    2015-02-01

    A class II hydrophobin gene, HFB2-6, was cloned from Trichoderma asperellum ACCC30536 and its biocontrol function was studied. According to our previous transcriptome data, six of the eight class II hydrophobin genes were obviously differential expression in four inducing conditions, especially the gene HFB2-6. Moreover, HFB2-6 proven to be differentially transcribed under eight different treatments. HFB2-6 transcripts were up-regulated under 1% Alternaria alternata cell wall and 5% A. alternata fermentation liquid treatments, and by nutritional stress conditions, suggesting that HFB2-6 plays roles in interactions with both biotic and abiotic environmental conditions. HFB2-6 expression was down-regulated under 1% poplar leaf powder culture conditions, but its expression was up-regulated under 1% poplar root powder, indicating that HFB2-6 has a function in root colonization. Furthermore, the recombinant hydrophobin rHFB2-6 was successfully expressed in Escherichia coli BL21-HFB2-6 and purified from the recombinant strain. Genes related to both the jasmonic acid and salicylic acid signal transduction pathways were up-regulated by interaction with renatured rHFB2-6. The ORCA3 (octadecanoid-derivative responsive Catharanthus AP2-domain) gene of the poplar jasmonic acid signal transduction pathway showed a peak expression of 4.48 times at 2 h, and the peak expression of PR1 (pathogenesis-related protein gene) in the salicylic acid signal transduction pathway was 4.58 times at 72 h. Two genes, MP (monopteros) and GH3.17 (auxin original response gene), in the auxin signal transduction pathway were also up-regulated after induction with rHFB2-6, indicating that rHFB2-6 can promote poplar growth and confer broad-spectrum resistance to pathogens.

  14. Bioaccumulation of chemical warfare agents, energetic materials, and metals in deep-sea shrimp from discarded military munitions sites off Pearl Harbor

    Science.gov (United States)

    Koide, Shelby; Silva, Jeff A. K.; Dupra, Vilma; Edwards, Margo

    2016-06-01

    The bioaccumulation of munitions-related chemicals at former military deep-water disposal sites is poorly understood. This paper presents the results of human-food-item biota sampling to assess the potential for bioaccumulation of chemical warfare agents, energetic materials, arsenic, and additional munitions-related metals in deep-sea shrimp tissue samples collected during the Hawai'i Undersea Military Munitions Assessment (HUMMA) project to date. The HUMMA investigation area is located within a former munitions sea-disposal site located south of Pearl Harbor on the island of O'ahu, Hawai'i, designated site Hawaii-05 (HI-05) by the United States Department of Defense. Indigenous deep-sea shrimp (Heterocarpus ensifer) were caught adjacent to discarded military munitions (DMM) and at control sites where munitions were absent. Tissue analysis results showed that chemical warfare agents and their degradation products were not present within the edible portions of these samples at detectable concentrations, and energetic materials and their degradation products were detected in only a few samples at concentrations below the laboratory reporting limits. Likewise, arsenic, copper, and lead concentrations were below the United States Food and Drug Administration's permitted concentrations of metals in marine biota tissue (if defined), and their presence within these samples could not be attributed to the presence of DMM within the study area based on a comparative analysis of munitions-adjacent and control samples collected. Based on this current dataset, it can be concluded that DMM existing within the HUMMA study area is not contributing to the bioaccumulation of munitions-related chemicals for the biota species investigated to date.

  15. Responding to the challenge of untreatable gonorrhea: ETX0914, a first-in-class agent with a distinct mechanism-of-action against bacterial Type II topoisomerases.

    Science.gov (United States)

    Basarab, Gregory S; Kern, Gunther H; McNulty, John; Mueller, John P; Lawrence, Kenneth; Vishwanathan, Karthick; Alm, Richard A; Barvian, Kevin; Doig, Peter; Galullo, Vincent; Gardner, Humphrey; Gowravaram, Madhusudhan; Huband, Michael; Kimzey, Amy; Morningstar, Marshall; Kutschke, Amy; Lahiri, Sushmita D; Perros, Manos; Singh, Renu; Schuck, Virna J A; Tommasi, Ruben; Walkup, Grant; Newman, Joseph V

    2015-07-14

    With the diminishing effectiveness of current antibacterial therapies, it is critically important to discover agents that operate by a mechanism that circumvents existing resistance. ETX0914, the first of a new class of antibacterial agent targeted for the treatment of gonorrhea, operates by a novel mode-of-inhibition against bacterial type II topoisomerases. Incorporating an oxazolidinone on the scaffold mitigated toxicological issues often seen with topoisomerase inhibitors. Organisms resistant to other topoisomerase inhibitors were not cross-resistant with ETX0914 nor were spontaneous resistant mutants to ETX0914 cross-resistant with other topoisomerase inhibitor classes, including the widely used fluoroquinolone class. Preclinical evaluation of ETX0914 pharmacokinetics and pharmacodynamics showed distribution into vascular tissues and efficacy in a murine Staphylococcus aureus infection model that served as a surrogate for predicting efficacious exposures for the treatment of Neisseria gonorrhoeae infections. A wide safety margin to the efficacious exposure in toxicological evaluations supported progression to Phase 1. Dosing ETX0914 in human volunteers showed sufficient exposure and minimal adverse effects to expect a highly efficacious anti-gonorrhea therapy.

  16. An isomer-specific high-energy collision-induced dissociation MS/MS database for forensic applications: a proof-of-concept on chemical warfare agent markers.

    Science.gov (United States)

    Subramaniam, Raja; Östin, Anders; Nygren, Yvonne; Juhlin, Lars; Nilsson, Calle; Åstot, Crister

    2011-09-01

    Spectra database search has become the most popular technique for the identification of unknown chemicals, minimizing the need for authentic reference chemicals. In the present study, an isomer-specific high-energy collision-induced dissociation (CID) MS/MS spectra database of 12 isomeric O-hexyl methylphosphonic acids (degradation markers of nerve agents) was created. Phosphonate anions were produced by the electrospray ionization of phosphonic acids or negative-ion chemical ionization of their fluorinated derivatives and were analysed in a hybrid magnetic-sector-time-of-flight tandem mass spectrometer. A centre-of-mass energy (E(com)) of 65 eV led to an optimal sequential carbon-carbon bond breakage, which was interpreted in terms of charge remote fragmentation. The proposed mechanism is discussed in comparison with the routinely used low-energy CID MS/MS. Even-mass (odd-electron) charge remote fragmentation ion series were diagnostic of the O-alkyl chain structure and can be used to interpret unknown spectra. Together with the odd-mass ion series, they formed highly reproducible, isomer-specific spectra that gave significantly higher database matches and probability factors (by 1.5 times) than did the EI MS spectra of the trimethylsilyl derivatives of the same isomers. In addition, ionization by negative-ion chemical ionization and electrospray ionization resulted in similar spectra, which further highlights the general potential of the high-energy CID MS/MS technique.

  17. Degradation of sunscreen agent p-aminobenzoic acid using a combination system of UV irradiation, persulphate and iron(II).

    Science.gov (United States)

    Xue, Yicen; Dong, Wenbo; Wang, Xiaoning; Bi, Wenlong; Zhai, Pingping; Li, Hongjing; Nie, Minghua

    2016-03-01

    Increased usage and discharge of sunscreens have led to ecological safety crisis, and people are developing the advanced oxidation processes (AOPs) to treat them. The present study aimed to determine the degradation efficiency and mechanism of the sunscreen agent p-aminobenzoic acid (PABA) using the UV/Fe(2+)/persulphate (PS) method. A series of irradiation experiments were conducted to optimise the system conditions and to study the impacts of the natural anion. Free radicals and degradation products were identified in order to clarify the degradation mechanism. Initial PS and Fe(2+) concentrations showed significant impacts on PABA degradation. Natural anions, such as Cl(-), NO3 (-), H2PO4 (-) and HCO3 (-), impeded PABA degradation because of ion (Fe(2+)) capture, radical scavenging or pH effects. Hydroxyl (HO·) and sulphate (SO4 (·-)) radicals were two main radicals observed in the UV/Fe(2+)/PS system; of these, SO4 (·-) showed greater effects on PABA degradation. Over 99 % of the available PABA was completely degraded into carbon dioxide (CO2) and water (H2O) by the UV/Fe(2+)/PS system, and the remaining PABA participated in complex radical reactions. By-products were identified by total ion chromatography and mass spectrometry. Our research provides a treatment process for PABA with high degradation efficiency and environmental safety and introduces a new strategy for sunscreen degradation.

  18. Plant-Derived Antimalarial Agents: New Leads and Efficient Phytomedicines. Part II. Non-Alkaloidal Natural Products

    Directory of Open Access Journals (Sweden)

    Alaíde Braga de Oliveira

    2009-08-01

    Full Text Available Malaria is still the most destructive and dangerous parasitic infection in many tropical and subtropical countries. The burden of this disease is getting worse, mainly due to the increasing resistance of Plasmodium falciparum against the widely available antimalarial drugs. There is an urgent need for new, more affordable and accessible antimalarial agents possessing original modes of action. Natural products have played a dominant role in the discovery of leads for the development of drugs to treat human diseases, and this fact anticipates that new antimalarial leads may certainly emerge from tropical plant sources. This present review covers most of the recently-published non-alkaloidal natural compounds from plants with antiplasmodial and antimalarial properties, belonging to the classes of terpenes, limonoids, flavonoids, chromones, xanthones, anthraquinones, miscellaneous and related compounds, besides the majority of papers describing antiplasmodial crude extracts published in the last five years not reviewed before. In addition, some perspectives and remarks on the development of new drugs and phytomedicines for malaria are succinctly discussed.

  19. Chemical evolution in the early phases of massive star formation II: Deuteration

    CERN Document Server

    Gerner, Th; Beuther, H; Semenov, D; Linz, H; Abertsson, T; Henning, Th

    2015-01-01

    The chemical evolution in high-mass star-forming regions is still poorly constrained. Studying the evolution of deuterated molecules allows to differentiate between subsequent stages of high-mass star formation regions due to the strong temperature dependence of deuterium isotopic fractionation. We observed a sample of 59 sources including 19 infrared dark clouds, 20 high-mass protostellar objects, 11 hot molecular cores and 9 ultra-compact HII regions in the (3-2) transitions of the four deuterated molecules, DCN, DNC, DCO+ and N2D+ as well as their non-deuterated counterpart. The overall detection fraction of DCN, DNC and DCO+ is high and exceeds 50% for most of the stages. N2D+ was only detected in a few infrared dark clouds and high-mass protostellar objects. It can be related to problems in the bandpass at the frequency of the transition and to low abundances in the more evolved, warmer stages. We find median D/H ratios of ~0.02 for DCN, ~0.005 for DNC, ~0.0025 for DCO+ and ~0.02 for N2D+. While the D/H ...

  20. A multimedia fate and chemical transport modeling system for pesticides: II. Model evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Li Rong; Yang Fuquan; Sloan, James J [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON, N2L 3G1 (Canada); Trevor Scholtz, M, E-mail: sloanj@connect.uwaterloo.ca [ORTECH Environmental, 2395 Speakman Drive, Mississauga, ON, L5K 1B3 (Canada)

    2011-07-15

    Pesticides have adverse health effects and can be transported over long distances to contaminate sensitive ecosystems. To address problems caused by environmental pesticides we developed a multimedia multi-pollutant modeling system, and here we present an evaluation of the model by comparing modeled results against measurements. The modeled toxaphene air concentrations for two sites, in Louisiana (LA) and Michigan (MI), are in good agreement with measurements (average concentrations agree to within a factor of 2). Because the residue inventory showed no soil residues at these two sites, resulting in no emissions, the concentrations must be caused by transport; the good agreement between the modeled and measured concentrations suggests that the model simulates atmospheric transport accurately. Compared to the LA and MI sites, the measured air concentrations at two other sites having toxaphene soil residues leading to emissions, in Indiana and Arkansas, showed more pronounced seasonal variability (higher in warmer months); this pattern was also captured by the model. The model-predicted toxaphene concentration fraction on particles (0.5-5%) agrees well with measurement-based estimates (3% or 6%). There is also good agreement between modeled and measured dry (1:1) and wet (within a factor of less than 2) depositions in Lake Ontario. Additionally this study identified erroneous soil residue data around a site in Texas in a published US toxaphene residue inventory, which led to very low modeled air concentrations at this site. Except for the erroneous soil residue data around this site, the good agreement between the modeled and observed results implies that both the US and Mexican toxaphene soil residue inventories are reasonably good. This agreement also suggests that the modeling system is capable of simulating the important physical and chemical processes in the multimedia compartments.

  1. CSO and CARMA Observations of L1157. II. Chemical Complexity in the Shocked Outflow

    Science.gov (United States)

    Burkhardt, Andrew M.; Dollhopf, Niklaus M.; Corby, Joanna F.; Carroll, P. Brandon; Shingledecker, Christopher N.; Loomis, Ryan A.; Booth, Shawn Thomas; Blake, Geoffrey A.; Herbst, Eric; Remijan, Anthony J.; McGuire, Brett A.

    2016-08-01

    L1157, a molecular dark cloud with an embedded Class 0 protostar possessing a bipolar outflow, is an excellent source for studying shock chemistry, including grain-surface chemistry prior to shocks, and post-shock, gas-phase processing. The L1157-B1 and B2 positions experienced shocks at an estimated ˜2000 and 4000 years ago, respectively. Prior to these shock events, temperatures were too low for most complex organic molecules to undergo thermal desorption. Thus, the shocks should have liberated these molecules from the ice grain-surfaces en masse, evidenced by prior observations of SiO and multiple grain mantle species commonly associated with shocks. Grain species, such as OCS, CH3OH, and HNCO, all peak at different positions relative to species that are preferably formed in higher-velocity shocks or repeatedly shocked material, such as SiO and HCN. Here, we present high spatial resolution (˜3″) maps of CH3OH, HNCO, HCN, and HCO+ in the southern portion of the outflow containing B1 and B2, as observed with Combined Array for Research in Millimeter-Wave Astronomy. The HNCO maps are the first interferometric observations of this species in L1157. The maps show distinct differences in the chemistry within the various shocked regions in L1157B. This is further supported through constraints of the molecular abundances using the non-LTE code radex. We find that the east/west chemical differentiation in C2 may be explained by the contrast of the shock’s interaction with either cold, pristine material or warm, previously shocked gas, as seen in enhanced HCN abundances. In addition, the enhancement of the HNCO abundance toward the the older shock, B2, suggests the importance of high-temperature O-chemistry in shocked regions.

  2. Chemical decomposition of urinary stones during holmium-laser lithotripsy: II. Evidence for photothermal breakdown

    Science.gov (United States)

    Glickman, Randolph D.; Teichman, Joel M. H.; Vassar, George J.; Weintraub, Susan T.; Chan, Kin Foong; Pfefer, T. Joshua; Welch, Ashley J.

    1999-06-01

    Because of the greater than or equal to 250 microsecond pulsewidth emitted by the Ho:YAG laser used in clinical lithotripsy, it is unlikely that stress confinement occurs within the irradiated stones. Experimental data supports a thermal mechanism for Ho:YAG laser stone ablation. Stone fragmentation occurs soon after the onset of the laser pulse, is uncorrelated to cavitation bubble formation or collapse, and is associated with low pressures (cf. part I). The mass- loss of desiccated calcium oxalate monohydrate (COM) stones exposed to 150 J from the Ho:YAG laser in air was 40 plus or minus 12 mg (mean plus or minus 1 s.d.); for hydrated stones in air was 25 plus or minus 9 mg; and for hydrated stones in water was 17 plus or minus 3 mg, p less than .001. These differences indicate that direct absorption of the laser radiation by the stone is required for the most efficient ablation. Lowering the initial temperature of COM or cystine stones also reduced the stone mass-loss following 20 J of delivered laser energy: 2.2 plus or minus 1.1 mg vs 5.2 plus or minus 1.6 mg for COM stones (-80 vs 23 degrees Celsius), and 0.8 plus or minus 0.4 mg vs 2.2 plus or minus 1.1 mg for cystine stones (-80 vs 23 degrees Celsius), p less than or equal to .05. Finally, chemical analysis of the laser-induced stone fragments revealed the presence of thermal breakdown products: CaCO3 from COM; free sulfur and cysteine from cystine; Ca2O7P2 from calcium hydorgen phosphate dihydrate, and cyanide from uric acid.

  3. Development of a Portable Sensitive Equipment Decontamination System. Volume 1: Commercial Candidates Materials Evaluation (Chemical Agent Studies)

    Science.gov (United States)

    2010-05-01

    construction materials for the wiping systems are given in Volume II of this report. The instruction manuals for the two wiping systems, prepared by...034d-f P&G Swifter wipes ss disks HD 010503-1 10 mg HFE-7200 Micro-Care Manual rotary J906-038a-c Polyester felt nonwoven ss disks HD 010503-1 10 mg...HFE-7200 Micro-Care Manual rotary J906-038d-f Polyester felt nonwoven ss disks HD 010503-1 10 mg HFE-7200 Micro-Care Manual rotary J906-042a-c

  4. Evaporation Rates of Chemical Warfare Agents Measured Using 5 CM Wind Tunnels. 2. Munitions Grade Sulfur Mustard From Sand

    Science.gov (United States)

    2009-07-01

    was obtained from the back gate of Cannon AFB, New Mexico , and is a surface sample. Chemical analyses are in Appendix E, and surface area data are...m t*5 ft ft cO o o . a* a* «•! if- 6* s* £ aci/i^iotr- vino *» in K c\\ v " tv O O O) 00 f* tf- (T rf

  5. Characterization of Cu–Ni nanostructured alloys obtained by a chemical route. Influence of the complexing agent content in the starting solution

    Energy Technology Data Exchange (ETDEWEB)

    Carreras, Alejo C., E-mail: acarreras@famaf.unc.edu.ar [Instituto de Física Enrique Gaviola (IFEG), Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba—CONICET, Medina Allende s/n, Ciudad Universitaria, 5016 Córdoba (Argentina); Cangiano, María de los A.; Ojeda, Manuel W.; Ruiz, María del C. [Instituto de Investigaciones en Tecnología Qumica (INTEQUI), Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis—CONICET, Chacabuco y Pedernera, 5700 San Luis (Argentina)

    2015-03-15

    The influence of the amount of complexing agent added to the starting solution on the physicochemical properties of Cu–Ni nanostructured alloys obtained through a chemical route, was studied. For this purpose, three Cu–Ni nanoalloy samples were synthesized by a previously developed procedure, starting from solutions with citric acid to metal molar ratios (C/Me) of 0.73, 1.00 and 1.50. The synthesis technique consisted in preparing a precursor via the citrate-gel method, and carrying out subsequent thermal treatments in controlled atmospheres. Sample characterization was performed by scanning electron microscopy, X-ray microanalysis, X-ray diffraction, transmission electron microscopy, X-ray nanoanalysis and electron diffraction. In the three cases, copper and nickel formed a solid solution with a Cu/Ni atomic ratio close to 50/50, and free of impurities inside the crystal structure. The citric acid content of the starting solution proved to have an important influence on the morphology, size distribution, porosity, and crystallinity of the Cu–Ni alloy microparticles obtained, but a lesser influence on their chemical composition. The molar ratio C/Me = 1.00 resulted in the alloy with the Cu/Ni atomic ratio closest to 50/50. - Highlights: • We synthesize Cu–Ni nanoalloys by a chemical route based on the citrate-gel method. • We study the influence of the complexing agent content of the starting solution. • We characterize the samples by electron microscopy and X-ray techniques. • Citric acid influences the shape, size, porosity and crystallinity of the alloys.

  6. IN SITU COMPATIBILIZATION OF LDPE/NYLON-6 BLEND USING LOW MOLECULAR WEIGHT INTERFACIAL AGENT AS A CHEMICAL COMPATIBILIZER

    Institute of Scientific and Technical Information of China (English)

    LI Pei; ZHANG Ruifeng; Chung Long Choy

    1997-01-01

    In situ compatibilization of low density polyethylene (LDPE) (30%) and nylon-6 (70%) blends through one-step reactive extrusion using t-BuOOH as an initiator and low molecular weight interfacial agents as compatibilizers was studied. The compatibilizer contained a long chain hydrocarbon, double bond and two polar functional groups which was capable of reacting with both LDPE and nylon-6 in the presence of initiator to form a copolymer at the interface of the two polymer phases. The extruded blends exhibited significant enhancement in their compatibility based on morphological, thermal analysis and mechanical studies. The effect of the hydrocarbon chain length and structure of the functional group of the compatibilizer was also examined. It was found that blends prepared by using the compatibilizer containing longer hydrocarbon chain and amide group had better mechanical properties.

  7. Medical countermeasure against respiratory toxicity and acute lung injury following inhalation exposure to chemical warfare nerve agent VX.

    Science.gov (United States)

    Nambiar, Madhusoodana P; Gordon, Richard K; Rezk, Peter E; Katos, Alexander M; Wajda, Nikolai A; Moran, Theodore S; Steele, Keith E; Doctor, Bhupendra P; Sciuto, Alfred M

    2007-03-01

    To develop therapeutics against lung injury and respiratory toxicity following nerve agent VX exposure, we evaluated the protective efficacy of a number of potential pulmonary therapeutics. Guinea pigs were exposed to 27.03 mg/m(3) of VX or saline using a microinstillation inhalation exposure technique for 4 min and then the toxicity was assessed. Exposure to this dose of VX resulted in a 24-h survival rate of 52%. There was a significant increase in bronchoalveolar lavage (BAL) protein, total cell number, and cell death. Surprisingly, direct pulmonary treatment with surfactant, liquivent, N-acetylcysteine, dexamethasone, or anti-sense syk oligonucleotides 2 min post-exposure did not significantly increase the survival rate of VX-exposed guinea pigs. Further blocking the nostrils, airway, and bronchioles, VX-induced viscous mucous secretions were exacerbated by these aerosolized treatments. To overcome these events, we developed a strategy to protect the animals by treatment with atropine. Atropine inhibits muscarinic stimulation and markedly reduces the copious airway secretion following nerve agent exposure. Indeed, post-exposure treatment with atropine methyl bromide, which does not cross the blood-brain barrier, resulted in 100% survival of VX-exposed animals. Bronchoalveolar lavage from VX-exposed and atropine-treated animals exhibited lower protein levels, cell number, and cell death compared to VX-exposed controls, indicating less lung injury. When pulmonary therapeutics were combined with atropine, significant protection to VX-exposure was observed. These results indicate that combinations of pulmonary therapeutics with atropine or drugs that inhibit mucous secretion are important for the treatment of respiratory toxicity and lung injury following VX exposure.

  8. Zebrafish larva as a reliable model for in vivo assessment of membrane remodeling involvement in the hepatotoxicity of chemical agents.

    Science.gov (United States)

    Podechard, Normand; Chevanne, Martine; Fernier, Morgane; Tête, Arnaud; Collin, Aurore; Cassio, Doris; Kah, Olivier; Lagadic-Gossmann, Dominique; Sergent, Odile

    2016-11-28

    The easy-to-use in vivo model, zebrafish larva, is being increasingly used to screen chemical-induced hepatotoxicity, with a good predictivity for various mechanisms of liver injury. However, nothing is known about its applicability in exploring the mechanism called membrane remodeling, depicted as changes in membrane fluidity or lipid raft properties. The aim of this study was, therefore, to substantiate the zebrafish larva as a suitable in vivo model in this context. Ethanol was chosen as a prototype toxicant because it is largely described, both in hepatocyte cultures and in rodents, as capable of inducing a membrane remodeling leading to hepatocyte death and liver injury. The zebrafish larva model was demonstrated to be fully relevant as membrane remodeling was maintained even after a 1-week exposure without any adaptation as usually reported in rodents and hepatocyte cultures. It was also proven to exhibit a high sensitivity as it discriminated various levels of cytotoxicity depending on the extent of changes in membrane remodeling. In this context, its sensitivity appeared higher than that of WIF-B9 hepatic cells, which is suited for analyzing this kind of hepatotoxicity. Finally, the protection afforded by a membrane stabilizer, ursodeoxycholic acid (UDCA), or by a lipid raft disrupter, pravastatin, definitely validated zebrafish larva as a reliable model to quickly assess membrane remodeling involvement in chemical-induced hepatotoxicity. In conclusion, this model, compatible with a high throughput screening, might be adapted to seek hepatotoxicants via membrane remodeling, and also drugs targeting membrane features to propose new preventive or therapeutic strategies in chemical-induced liver diseases. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Effective methylation of phosphonic acids related to chemical warfare agents mediated by trimethyloxonium tetrafluoroborate for their qualitative detection and identification by gas chromatography-mass spectrometry.

    Science.gov (United States)

    Valdez, Carlos A; Leif, Roald N; Alcaraz, Armando

    2016-08-24

    The effective methylation of phosphonic acids related to chemical warfare agents (CWAs) employing trimethyloxonium tetrafluoroborate (TMO·BF4) for their qualitative detection and identification by gas chromatography-mass spectrometry (GC-MS) is presented. The methylation occurs in rapid fashion (1 h) and can be conveniently carried out at ambient temperature, thus providing a safer alternative to the universally employed diazomethane-based methylation protocols. Optimization of the methylation parameters led us to conclude that methylene chloride was the ideal solvent to carry out the derivatization, and that even though methylated products can be observed surfacing after only 1 h, additional time was not found to be detrimental but beneficial to the process particularly when dealing with analytes at low concentrations (∼10 μg mL(-1)). Due to its insolubility in methylene chloride, TMO·BF4 conveniently settles to the bottom during the reaction and does not produce additional interfering by-products that may further complicate the GC-MS analysis. The method was demonstrated to successfully methylate a variety of Schedule 2 phosphonic acids, including their half esters, resulting in derivatives that were readily detected and identified using the instrument's spectral library. Most importantly, the method was shown to simultaneously methylate a mixture of the organophosphorus-based nerve agent hydrolysis products: pinacolyl methylphosphonate (PMPA), cyclohexyl methylphosphonate (CyMPA) and ethyl methylphosphonate (EMPA) (at a 10 μg mL(-1) concentration each) in a fatty acid ester-rich organic matrix (OPCW-PT-O3) featured in the 38th Organisation for the Prohibition of Chemical Weapons (OPCW) Proficiency Test. In addition, the protocol was found to effectively methylate N,N-diethylamino ethanesulfonic acid and N,N-diisopropylamino ethanesulfonic acid that are products arising from the oxidative degradation of the V-series agents VR and VX respectively. The

  10. Uso de agentes microbianos e químico para o controle de Meloidogyne incognita em soja = Use of microbial and chemical agents to control Meloidogyne incognita in soybean

    Directory of Open Access Journals (Sweden)

    Henrique Teixeira Nunes

    2010-07-01

    -emergence only, and two controls. All treatments were inoculated with the nematode, except for a blank control where only water was applied. One control-only treated with the nematode was also included. Aldicarb could reduce the number of eggs and juveniles in the roots. P. lilacinus showed the bestperformance among the biological control agents, reducing the number of eggs and increasing dry root weight. Nemix, a Bacillus sp. based commercial product and P. chlamydosporia could only reduce significantly the number of eggs of the nematode. In this work, it was possible to conclude that the chemical and biological agents showed a moderate activity in the control of M. incognita in soybean.

  11. EXPERIMENTAL EVALUATION OF MN(II-TRANS-1,2-DIAMINOCYCLEHEXANE-N,N,N',N'TETRAACETATE AS PARAMAGNETIC CONTRAST AGENT FOR ENHANCEMENT OF CEREBRAL MENINGEOMAS IN DOGS

    Directory of Open Access Journals (Sweden)

    V. Yu. Ussov

    2014-01-01

    Full Text Available Aim of research. We have evaluated the abilities of new original paramagnetic contrast agent Mn-DCTA (0,5 mol solution of Manganese(II complex with trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetate, registered trade mark Cyclomang for contrast-enhanced imaging of brain meningeomas in dogs.Material and methods. Twelve animals were included, all with brain tumors reveald during out-patient veterinary examinations. In ten of twelve the diagnosis was verified later by pathomorphologic study. The cerebral MRI has been carred out as set of axial, sagittal and coronal slices as thin as three to five mm, covering all the volume of brain.The scanning parameters in T1-weighted spin-ech mode were as follows: TR = 400–500 ms, TE = 15–20 ms, the dose of injected paramagnetic was standardised as 1 mmol per 10 kg of body weight. For quantitative analysis the index of enhancement was calculated.Results. In all cases the sure enhancement with clear visualization of cerebral tumor was obtained due to highly intensive uptake of Mn-DCTA to the tumor tissue. When evaluated quantitatively the uptake of Mn-DCTA to the tumor gave the index of enhancement in T1-weighted spin-echo mode as high as IE = 1,72 ± 0,18 for the central parts of tumor and IE = 2,08 ± 0,23 for the peripheral ones, where as in control animals it was far below these values. Intravenous injection of Mn-DCTA to dogs with cerebral tumors did not induce any detectable pathologic or even physiologic effects.Conclusion. Henceforth we conclude the Mn-DCTA provides highly available methodologically simple imaging of cerebral meningeomas and can be thought out as promising paramagnetic agent for clinical magnetic resonance imaging in humans.

  12. Comparing the Suitability of Autodock, Gold and Glide for the Docking and Predicting the Possible Targets of Ru(II-Based Complexes as Anticancer Agents

    Directory of Open Access Journals (Sweden)

    Adebayo A. Adeniyi

    2013-03-01

    Full Text Available In cancer chemotherapy, metal-based complexes have been recognized as the most promising means of inhibiting cancer growth due to the successful application of cis-platin and its derivatives above many of the existing organic anticancer agents. The limitations in their rational design can be traced to the complexity of the mechanism of their operations, lack of proper knowledge of their targets and lack of force fields in docking packages to appropriately define the metal centre of the organometallic complexes. In this paper, some of the promising anticancer complexes of Ru(II such as the rapta-based complexes formulated as [Ru(η6-p-cymeneL2(pta] and those with unusual ligands are considered. CatB and kinases which have been experimentally confirmed as possible targets of the complexes are also predicted by the three methods as one of the most targeted receptors while TopII and HDAC7 are predicted by two and one of the methods as best targets. The interesting features of the binding of the complexes show that some of the complexes preferentially target specific macromolecules than the others, which is an indication of their specificity and possibility of their therapeutic combination without severe side effects that may come from competition for the same target. Also, introduction of unusual ligands is found to significantly improve the activities of most of the complexes studied. Strong correlations are observed for the predicted binding sites and the orientation of the complexes within the binding site by the three methods of docking. However there are disparities in the ranking of the complexes by the three method of docking, especially that of Glide.

  13. Chemical chaperones improve transport and enhance stability of mutant alpha-glucosidases in glycogen storage disease type II.

    Science.gov (United States)

    Okumiya, Toshika; Kroos, Marian A; Vliet, Laura Van; Takeuchi, Hiroaki; Van der Ploeg, Ans T; Reuser, Arnold J J

    2007-01-01

    Glycogen storage disease type II (GSDII; Pompe disease or acid maltase deficiency) is an autosomal recessive disorder caused by lysosomal acid alpha-glucosidase (AalphaGlu) deficiency and manifests predominantly as skeletal muscle weakness. Defects in post-translational modification and transport of mutant AalphaGlu species are frequently encountered and may potentially be corrected with chaperone-mediated therapy. In the present study, we have tested this hypothesis by using deoxynojirimycin and derivatives as chemical chaperones to correct the AalphaGlu deficiency in cultured fibroblasts from patients with GSDII. Four mutant phenotypes were chosen: Y455F/Y455F, P545L/P545L, 525del/R600C and D645E/R854X. In case of Y455F/Y455F and P545L/P545L, N-(n-butyl)deoxynojirimycin (NB-DNJ) restored the transport, maturation and activity of AalphaGlu in a dose dependent manner, while it had no effect on the reference enzyme beta-hexosaminidase. NB-DNJ promoted export from the endoplasmic reticulum (ER) to the lysosomes and stabilized the activity of mutant AalphaGlu species, Y455F and P545L, inside the lysosomes. In long-term culture, the AalphaGlu activity in the fibroblasts from the patients with mutant phenotypes, Y455F/Y455F and P545L/P545L, increased up to 14.0- and 7.9-fold, respectively, in the presence of 10mumol/L NB-DNJ. However, the effect of NB-DNJ on Y455F/Y455F subsided quickly after removal of the compound. We conclude that NB-DNJ acts in low concentration as chemical chaperone for certain mutant forms of AalphaGlu that are trapped in the ER, poorly transported or labile in the lysosomal environment. Chemical chaperone therapy could create new perspectives for therapeutic intervention in GSDII.

  14. Theoretical investigation of the magnetic exchange interactions in copper(II) oxides under chemical and physical pressures.

    Science.gov (United States)

    Rocquefelte, Xavier; Schwarz, Karlheinz; Blaha, Peter

    2012-01-01

    It remains a challenge to understand the unconventional mechanisms that cause high-T(C) superconductivity in cuprate superconductors, high-T(C) multiferroicity in CuO, or low-dimensional magnetism in the spin-Peierls transition compounds such as CuGeO(3). A common feature of all these copper oxide compounds (containing Cu(2+) ions) is the presence of large magnetic superexchange interactions J. It is a general strategy to apply chemical and/or physical pressure in order to tune these exotic properties. Here we show theoretically, for the first time, the impact of physical pressure on J on CuO, for which we predict a strong enhancement of the low-dimensionality of the magnetic interactions and the spin-frustration at high-pressures. Such modifications are expected to strongly influence the multiferroic properties of CuO. We finally demonstrate that PBE0 hybrid DFT calculations provide reliable J values for a wide range of copper(II) oxides compounds, i.e. CuGeO(3), BaCu(2)Si(2)O(7), BaCu(2)Ge(2)O(7), and La(2)CuO(4).

  15. Influence of bulking agents on physical, chemical, and microbiological properties during the two-stage composting of green waste.

    Science.gov (United States)

    Zhang, Lu; Sun, Xiangyang

    2016-02-01

    A recyclable organic bulking agent (BA) that can be screened and was developed to optimize green waste (GW) composting. This study investigated the use of wood chips (WC) (at 0%, 15%, and 25%) and/or composted green waste (CGW) (at 0%, 25%, and 35%) as the BAs in the two-stage composting of GW. The combined addition of WC and CGW improved the conditions of composting process and the quality of compost product in terms of composting temperature, porosity, water retention, particle-size distribution, pH, electrical conductivity (EC), cation exchange capacity (CEC), nitrogen losses, humification indices, microbial numbers, enzyme activities, macro- and micro-nutrient contents, and toxicity to germinating seeds. The compost matured in only 22days with the optimized two-stage composting method rather than in the 90-270days typically required for traditional composting. The optimal two-stage composting process and the best quality of compost product were obtained with the combined addition of 15% WC and 35% CGW.

  16. In vitro antibacterial activity of sphaeropsidins and chemical derivatives toward Xanthomonas oryzae pv. oryzae, the causal agent of rice bacterial blight.

    Science.gov (United States)

    Evidente, Antonio; Venturi, Vittorio; Masi, Marco; Degrassi, Giuliano; Cimmino, Alessio; Maddau, Lucia; Andolfi, Anna

    2011-12-27

    Sphaeropsidin A, the main phytotoxin produced by Diplodia cupressi, as well as the two natural analogues sphaeropsidins B and C and 14 derivatives obtained by chemical modifications were assayed for antibacterial activity against Xanthomonas oryzae pv. oryzae, Pseudomonas fuscovaginae, and Burkholderia glumae, the causal agents of severe bacterial rice diseases. The results showed a strong and specific activity of sphaeropsidin A against X. oryzae pv. oryzae, while no activity was observed against the other two pathogens. The results of structure-activity relationship studies showed that structural features important to impart this antibacterial activity are the presence of the C-7 carbonyl group and the hemiketalic lactone functionality. The C-13 vinyl group, the double bond of ring C, and/or the tertiary C-9 hydroxy group, as well as the pimarane arrangement of the tricylic carbon skeleton, were also important for the antibacterial activity. These findings may be useful in designing novel compounds for practical applications in agriculture.

  17. DNA-membrane complex damages in mammalian cells after gamma irradiation and chemical agent action and role of the complex in DNA replication

    Energy Technology Data Exchange (ETDEWEB)

    Saenko, A.S.; Kiseleva, V.I.; Synzynys, B.I. (Akademiya Meditsinskikh Nauk SSSR, Obninsk. Nauchno-Issledovatel' skij Inst. Meditsinskoj Radiologii)

    1982-06-22

    The sedimentation behavior of the DNA-membrane complex (DMC) from Ehrlich ascites tumor (EAT) cells after gamma irradiation and carminomycin (CM) treatment was studied. The DNA and membrane containing material released by alkaline lysis from EAT cells had an anomalous sedimentation relative to denatured DNA. The DMC sediments with a great sedimentation constant (255 S). Both the chemical and physical agents induced DNA single-strand breaks and damage of the DMC. It was shown that 0.01 g/ml CM did not affect the incorporation of exogenic thymidine into DNA but the DMC was completely disrupted by this CM dose. There was no correlation between postirradiation repair kinetics of the DMC and the kinetics of /sup 3/H-thymidine incorporation into DNA of ETA cells.

  18. Graphene oxide as sensitive layer in Love-wave surface acoustic wave sensors for the detection of chemical warfare agent simulants.

    Science.gov (United States)

    Sayago, Isabel; Matatagui, Daniel; Fernández, María Jesús; Fontecha, José Luis; Jurewicz, Izabela; Garriga, Rosa; Muñoz, Edgar

    2016-02-01

    A Love-wave device with graphene oxide (GO) as sensitive layer has been developed for the detection of chemical warfare agent (CWA) simulants. Sensitive films were fabricated by airbrushing GO dispersions onto Love-wave devices. The resulting Love-wave sensors detected very low CWA simulant concentrations in synthetic air at room temperature (as low as 0.2 ppm for dimethyl-methylphosphonate, DMMP, a simulant of sarin nerve gas, and 0.75 ppm for dipropylene glycol monomethyl ether, DPGME, a simulant of nitrogen mustard). High responses to DMMP and DPGME were obtained with sensitivities of 3087 and 760 Hz/ppm respectively. Very low limit of detection (LOD) values (9 and 40 ppb for DMMP and DPGME, respectively) were calculated from the achieved experimental data. The sensor exhibited outstanding sensitivity, good linearity and repeatability to all simulants tested. The detection mechanism is here explained in terms of hydrogen bonding formation between the tested CWA simulants and GO.

  19. In vitro evaluation of different chemical agents for the decontamination of gutta-percha cones Avaliação in vitro de diferentes agentes de descontaminação de cones de guta-percha

    Directory of Open Access Journals (Sweden)

    Rogério Emílio de Souza

    2003-03-01

    Full Text Available This study evaluated the effectiveness of three disinfectants used in Dentistry for decontamination of gutta-percha cones. Sixty gutta-percha cones were contaminated with standardized pure cultures of five species of microorganisms (Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 25923, Candida albicans ATCC CBS-ICB/USP 562, Bacillus subtilis spores ATCC 6633 and Streptococcus mutans ATCC 25175. The cones were treated with 10% polyvinylpyrrolidone-iodine aqueous solution (PVP-I; Groups 1 and 2, 5.25% aqueous sodium hypochlorite (Groups 3 and 4 and paraformaldehyde tablets (Group 5. All chemical agents were efficient for the cold sterilization of gutta-percha cones in short time periods.A eficiência de três desinfetantes usados em Odontologia foi estudada na descontaminação de 60 cones de guta-percha contaminados com culturas puras e padronizadas de cinco cepas de microrganismos (Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 25923, Candida albicans ATCC CBS-ICB/USP 562, Bacillus subtilis em esporos ATCC 6633 e Streptococcus mutans ATCC 25175. Os cones foram tratados com solução aquosa de polivinilpirrolidona-iodo 10% (PVP-I; Grupos 1 e 2, solução aquosa de hipoclorito de sódio 5,25% (Grupos 3 e 4 e pastilhas de formaldeído (Grupo 5. Nossos resultados indicam que todos os agentes químicos foram eficientes para a esterilização a frio dos cones de guta-percha em curtos espaços de tempo.

  20. Iopamidol as a responsive MRI-chemical exchange saturation transfer contrast agent for pH mapping of kidneys: In vivo studies in mice at 7 T.

    Science.gov (United States)

    Longo, Dario Livio; Dastrù, Walter; Digilio, Giuseppe; Keupp, Jochen; Langereis, Sander; Lanzardo, Stefania; Prestigio, Simone; Steinbach, Oliver; Terreno, Enzo; Uggeri, Fulvio; Aime, Silvio

    2011-01-01

    Iopamidol (Isovue®-Bracco Diagnostic Inc.) is a clinically approved X-Ray contrast agent used in the last 30 years for a wide variety of diagnostic applications with a very good clinical acceptance. Iopamidol contains two types of amide functionalities that can be exploited for the generation of chemical exchange saturation transfer effect. The exchange rate of the two amide proton pools is markedly pH-dependent. Thus, a ratiometric method for pH assessment has been set-up based on the comparison of the saturation transfer effects induced by selective irradiation of the two resonances. This ratiometric approach allows to rule out the concentration effect of the contrast agent and provides accurate pH measurements in the 5.5-7.4 range. Upon injection of Iopamidol into healthy mice, it has been possible to acquire pH maps of kidney regions. Furthermore, it has been also shown that the proposed method is able to report about pH-changes induced in control mice fed with acidified or basified water for a period of a week before image acquisition.

  1. Use of Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometric Detection and Random Forest Pattern Recognition Techniques for Classifying Chemical Threat Agents and Detecting Chemical Attribution Signatures.

    Science.gov (United States)

    Strozier, Erich D; Mooney, Douglas D; Friedenberg, David A; Klupinski, Theodore P; Triplett, Cheryl A

    2016-07-19

    In this proof of concept study, chemical threat agent (CTA) samples were classified to their sources with accuracies of 87-100% by applying a random forest statistical pattern recognition technique to analytical data acquired by comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection (GC × GC-TOFMS). Three organophosphate pesticides, chlorpyrifos, dichlorvos, and dicrotophos, were used as the model CTAs, with data collected for 4-6 sources per CTA and 7-10 replicate analyses per source. The analytical data were also evaluated to determine tentatively identified chemical attribution signatures for the CTAs by comparing samples from different sources according to either the presence/absence of peaks or the relative responses of peaks. These results demonstrate that GC × GC-TOFMS analysis in combination with a random forest technique can be useful in sample classification and signature identification for pesticides. Furthermore, the results suggest that this combination of analytical chemistry and statistical approaches can be applied to forensic analysis of other chemicals for similar purposes.

  2. On-line flow-injection liquid-phase microextraction and spectrophotometric determination of traces of copper(II) with trithia-9-crown-3 as complexing agent.

    Science.gov (United States)

    Zahedi, Mir Mahdi; Shamsipur, Mojtaba; Pourmortazavi, Seied Mahdi

    2013-01-01

    A novel on-line flow-injection liquid-phase microextraction (FI-LPME) and spectrophotometric determination of the Cu(2+) ion using trithia-9-crown-3 (TT9C3) as a sensitive and selective charge transfer complexing agent was developed. After phase segmentation by pulsating motions of a peristaltic pump, the phase separation takes place by the aid of gravitation forces. The optimum values of the pH (= 5 of phosphate buffer) and ionic strength (5 mM Na2SO4) of the solution, amount of ligand (2.0 × 10(-3) mol L(-1)), nature of the counter ion (10 mM SDS), volume of the organic solvent (150 μL), coil length (3 m) and extraction time (2 min) for an efficient extraction were determined. The calibration curve was found to be linear over a concentration range of 0.008 - 4.2 μg mL(-1) (R(2) = 0.9985) with a limit of detection of 0.37 ng mL(-1). The enrichment factor and relative standard deviation (n = 7) were 16 and 5.7%, respectively. Finally, the proposed method was applied to the determination of copper(II) as an impurity in the several commercial metallic salts.

  3. Differential cytotoxic pathways of topoisomerase I and II anticancer agents after overexpression of the E2F-1/DP-1 transcription factor complex

    DEFF Research Database (Denmark)

    Hofland, K; Petersen, B O; Falck, J;

    2000-01-01

    DP-1/tc-cells. Furthermore, the number of etoposide-induced DNA single- and double-strand breaks increased in UE1DP-1/tc-cells together with a rise in clonogenic sensitivity to etoposide, but an equal apoptotic sensitivity to etoposide. The increase in topoisomerase IIalpha promoter activity in UE1DP...... and drug sensitivity in detail, we established human osteosarcoma U-20S-TA cells expressing full-length E2F-1/ DP-1 under the control of a tetracycline-responsive promoter, designated UE1DP-1 cells. Topoisomerase I levels and activity as well as the number of camptothecin-induced DNA single- and double-strand......The transcription factor complex E2F-1/DP-1 regulates the G1-to-S-phase transition and has been associated with sensitivity to the S-phase-specific anticancer agents camptothecin and etoposide, which poison DNA topoisomerase I and II, respectively. To investigate the relationship between E2F-1...

  4. DNA-based aptamer fails as a simultaneous cancer targeting agent and drug delivery vehicle for a phenanthroline-based platinum(II) complex.

    Science.gov (United States)

    McGinely, Nicola L; Plumb, Jane A; Wheate, Nial J

    2013-11-01

    The sgc8c aptamer is a 41-base DNA oligonucleotide that binds to leukaemia cells with high affinity and specificity. In this work we examined the utility of this aptamer as both a delivery vehicle and an active targeting agent for an inert platinum complex [(1,10-phenathroline)(ethylenediamine)platinum(II)](2+). The aptamer forms a stem-and-loop confirmation as determined by circular dichroism. This conformation is adopted in both water and phosphate buffered saline solutions. The metal complex binds through intercalation into the aptamer's double helical stem with a binding constant of approximately 4.3 × 10(4) M(-1). Binding of the metal complex to the aptamer had a significant effect on the aptamer's global conformation, and increased its melting temperature by 28°C possibly through lengthening and stiffening of the aptamer stem. The effect of the aptamer on the metal complex's cytotoxicity and cellular uptake was determined using in vitro assays with the target leukaemia cell line CCRF-CEM and the off-target ovarian cancer cell lines A2780 and A2780cp70. The aptamer has little inherent cytotoxicity and when used to deliver the metal complex results in a significant decrease in the metal complex's cytotoxicity and uptake. The reason(s) for the poor uptake and activity may be due to the change in aptamer conformation which affects its ability to recognise leukaemia cells.

  5. Seizure modeling of Pb(II) and Cd(II) from aqueous solution by chemically modified sugarcane bagasse fly ash: isotherms, kinetics, and column study.

    Science.gov (United States)

    Shah, Bhavna; Mistry, Chirag; Shah, Ajay

    2013-04-01

    Heavy metal pollution is a common environmental problem all over the world. The purpose of the research is to examine the applicability of bagasse fly ash (BFA)-an agricultural waste of sugar industry used for the synthesis of zeolitic material. The zeolitic material are used for the uptake of Pb(II) and Cd(II) heavy metal. Bagasse fly ash is used as a native material for the synthesis of zeolitic materials by conventional hydrothermal treatment without (conventional zeolitic bagasse fly ash (CZBFA)) and with electrolyte (conventional zeolitic bagasse fly ash in electrolyte media (ECZBFA)) media. Heavy metal ions Pb(II) and Cd(II) were successfully seized from aqueous media using these synthesized zeolitic materials. In this study, the zeolitic materials were well characterized by different instrumental methods such as Brunauer-Emmett-Teller, XRF, Fourier transform infrared spectroscopy, powder X-ray diffraction, and scanning electron microscopic microphotographs. The presence of analcime, phillipsite, and zeolite P in adsorbents confirms successful conversion of native BFA into zeolitic materials. Seizure modeling of Pb(II) and Cd(II) was achieved by batch sorption experiments, isotherms, and kinetic studies. These data were used to compare and evaluate the zeolitic materials as potential sorbents for the uptake of heavy metal ions from an aqueous media. The Langmuir isotherm correlation coefficient parameters best fit the equilibrium data which indicate the physical sorption. Pseudo-second-order and intra-particle diffusion model matches best which indicates that the rate of sorption was controlled by film diffusion. The column studies were performed for the practical function of sorbents, and breakthrough curves were obtained, which revealed higher sorption capacity as compared to batch method. Synthesized zeolitic material (CZBFA and ECZBFA), a low-cost sorbent, was proven as potential sorbent for the uptake of Pb(II) and Cd(II) heavy metal ions.

  6. Evaluation of a synergetic effect between Rh as permanent chemical modifier and acetylacetone as complexing agent in Sc determination in sediment slurry samples by ETAAS

    Energy Technology Data Exchange (ETDEWEB)

    Flores, Araceli Veronica [Departamento de Quimica Analitica, Instituto de Quimica, Universidade Estadual de Campinas, P.O. Box 6154, 13084 971 Campinas, Sao Paulo (Brazil); Perez, Carlos Alberto [Laboratorio Nacional de Luz Sincrotron, P.O. Box 6192, 13084 971 Campinas, Sao Paulo (Brazil); Arruda, Marco Aurelio Zezzi [Departamento de Quimica Analitica, Instituto de Quimica, Universidade Estadual de Campinas, P.O. Box 6154, 13084 971 Campinas, Sao Paulo (Brazil)]. E-mail: zezzi@iqm.unicamp.br

    2005-02-14

    In the present work, scandium was determined in sediment slurry samples (from three different rivers) by electrothermal atomic absorption spectrometry (ETAAS). Slurries were prepared by weighting 100 mg of dry sediment samples ({<=}53 {mu}m particle sizes) and adding 6 ml of HCl:HNO{sub 3}:HF (3:1:2, v/v). Accurate results were only possible due to the synergetic effect between Rh as permanent chemical modifier and acetylacetone (Acac) as complexing agent. The same platform was used for 400 heating cycles. The performance of the chemical modification was evaluated by using scanning electron microscopy (SEM), synchrotron radiation X-ray fluorescence (SRXRF) and some figures of merit (precision and detectability). The best analytical conditions were attained using 1500 and 2550 deg. C as pyrolysis and atomization temperatures. The scandium content in the liquid phase of the slurries ranged from 61 to 73%, thus indicating, in this study, that both liquid and solid phases play an important role in slurry analyses. An amount of 5.0-20.0 {mu}g l{sup -1} Sc linear range as well as LOD and LOQ of 0.19 and 0.62 {mu}g l{sup -1}, respectively, were obtained under these conditions. The accuracy was checked by using microwave-assisted decomposition, and the results compared to those obtained with the proposed methodology (slurry analysis). By checking both sets of the results, there is no statistical difference at the 95% confidence levels.

  7. Potential of Entomopathogenic Fungi as Biological Control Agents of Diamondback Moth (Lepidoptera: Plutellidae) and Compatibility With Chemical Insecticides.

    Science.gov (United States)

    Duarte, R T; Gonçalves, K C; Espinosa, D J L; Moreira, L F; De Bortoli, S A; Humber, R A; Polanczyk, R A

    2016-04-01

    The objectives were to evaluate the efficiency of entomopathogenic fungi against Plutella xylostella (L.) and the compatibility of the most virulent isolates with some of the insecticides registered for use on cabbage crops. Pathogenicity tests used isolates of Beauveria bassiana, Metarhizium rileyi, Isaria fumosorosea, Isaria sinclairii, and Lecanicillium muscarium standardized at a concentration of 10(7) conidia/ml. Cabbage leaf discs were immersed in these suspensions, and after evaporation of the excess water, were placed 10 second-instar larvae of P. xylostella, totaling 10 leaf discs per treatment. Mortality was assessed 7 d after treatment, and the isolates that caused mortality>80% were used to estimate LC50 and LT50. The compatibilities of the most virulent isolates and the insecticides were tested from the mixture of these into the culture medium, and after solidifying, the medium was inoculated with an aliquot of the isolated suspension. The following parameters were evaluated: growth of the colony, number and viability of conidia after 7 d. The isolated IBCB01, IBCB18, IBCB66, and IBCB87 of B. bassiana, LCMAP101 of M. rileyi, and ARSEF7973 of I. sinclairii caused mortality between 80 and 100%, with LC50 and LT50 between 2.504 to 6.775×10(4) conidia/ml and 52.22 to 112.13 h, respectively. The active ingredients thiamethoxam and azadirachtin were compatible with the entomopathogenic fungi. The results suggest that the use of these isolates is an important alternative in the pesticidal management of P. xylostella, with the possible exception of the associated use of chemical controls using the active ingredients thiamethoxam or azadirachtin.

  8. Chemical Validation of Phosphodiesterase C as a Chemotherapeutic Target in Trypanosoma cruzi, the Etiological Agent of Chagas' Disease▿ †

    Science.gov (United States)

    King-Keller, Sharon; Li, Minyong; Smith, Alyssa; Zheng, Shilong; Kaur, Gurpreet; Yang, Xiaochuan; Wang, Binghe; Docampo, Roberto

    2010-01-01

    Trypanosoma cruzi phosphodiesterase (PDE) C (TcrPDEC), a novel and rather unusual PDE in which, unlike all other class I PDEs, the catalytic domain is localized in the middle of the polypeptide chain, is able to hydrolyze cyclic GMP (cGMP), although it prefers cyclic AMP (cAMP), and has a FYVE-type domain in its N-terminal region (S. Kunz et al., FEBS J. 272:6412-6422, 2005). TcrPDEC shows homology to the mammalian PDE4 family members. PDE4 inhibitors are currently under development for the treatment of inflammatory diseases, such as asthma, chronic pulmonary diseases, and psoriasis, and for treating depression and serving as cognitive enhancers. We therefore tested a number of compounds originally synthesized as potential PDE4 inhibitors on T. cruzi amastigote growth, and we obtained several useful hits. We then conducted homology modeling of T. cruzi PDEC and identified other compounds as potential inhibitors through virtual screening. Testing of these compounds against amastigote growth and recombinant TcrPDEC activity resulted in several potent inhibitors. The most-potent inhibitors were found to increase the cellular concentration of cAMP. Preincubation of cells in the presence of one of these compounds stimulated volume recovery after hyposmotic stress, in agreement with their TcrPDEC inhibitory activity in vitro, providing chemical validation of this target. The compounds found could be useful tools in the study of osmoregulation in T. cruzi. In addition, their further optimization could result in the development of new drugs against Chagas' disease and other trypanosomiases. PMID:20625148

  9. Os biomarcadores e sua aplicação na avaliação da exposição aos agentes químicos ambientais Biomarkers for evaluating exposure to chemical agents present in the environment

    Directory of Open Access Journals (Sweden)

    Leiliane Coelho André Amorim

    2003-06-01

    Full Text Available A Saúde Ambiental tem como um de seus objetivos, a prevenção dos danos à saúde causados por contaminantes químicos presentes no meio ambiente, fazendo com que os níveis desta exposição sejam mantidos em valores que não constituam um risco inaceitável. Para isso, tornam-se necessárias a identificação e quantificação deste risco através da avaliação biológica da exposição humana. Este é um artigo de revisão que busca apresentar conceitos e concepções que abrangem o uso dos parâmetros biológicos com a finalidade de avaliar a exposição às substâncias químicas e estimar o risco das populações expostas. Os biomarcadores podem ser usados para vários propósitos, dependendo da finalidade do estudo e do tipo da exposição e podem ser classificados em três tipos: de exposição, de efeito e de suscetibilidade, os quais são instrumentos que possibilitam identificar a substância tóxica ou uma condição adversa antes que sejam evidenciados danos à saúde. Novos parâmetros são apresentados, como os biomarcadores de neurotoxicidade (ou marcadores substitutos, que têm como desafio detectar ações precoces de agente químicos que agem no sistema nervoso central através da identificação de indicadores presentes no sistema periférico, que são equivalentes aos parâmetros presentes no tecido nervoso.One of goals of environmental health is to prevent disease and injuries caused by chemical pollutants present in the environment. The main objective is to keep chemical exposure to an acceptable level that does not imply in risk. In order to accomplish that, it is necessary to identify and quantify chemical risk through biological assessment of human exposure. In this review, we present concepts and principles covering the utilization of biological indicators in order to evaluate exposure to chemicals and risk to human health. The use of biomarkers with different purposes may be classified in to three types: of

  10. Coordination chemistry of two heavy metals: I, Ligand preferences in lead(II) complexation, toward the development of therapeutic agents for lead poisoning: II, Plutonium solubility and speciation relevant to the environment

    Energy Technology Data Exchange (ETDEWEB)

    Neu, Mary Patricia [Univ. of California, Berkeley, CA (United States)

    1993-11-01

    The coordination chemistry and solution behavior of the toxic ions lead(II) and plutonium(IV, V, VI) have been investigated. The ligand pKas and ligand-lead(II) stability constants of one hydroxamic acid and four thiohydroaxamic acids were determined. Solution thermodynamic results indicate that thiohydroxamic acids are more acidic and slightly better lead chelators than hydroxamates, e.g., N-methylthioaceto-hydroxamic acid, pKa = 5.94, logβ120 = 10.92; acetohydroxamic acid, pKa = 9.34, logβ120 = 9.52. The syntheses of lead complexes of two bulky hydroxamate ligands are presented. The X-ray crystal structures show the lead hydroxamates are di-bridged dimers with irregular five-coordinate geometry about the metal atom and a stereochemically active lone pair of electrons. Molecular orbital calculations of a lead hydroxamate and a highly symmetric pseudo octahedral lead complex were performed. The thermodynamic stability of plutonium(IV) complexes of the siderophore, desferrioxamine B (DFO), and two octadentate derivatives of DFO were investigated using competition spectrophotometric titrations. The stability constant measured for the plutonium(IV) complex of DFO-methylterephthalamide is logβ120 = 41.7. The solubility limited speciation of 242Pu as a function of time in near neutral carbonate solution was measured. Individual solutions of plutonium in a single oxidation state were added to individual solutions at pH = 6.0, T = 30.0, 1.93 mM dissolved carbonate, and sampled over intervals up to 150 days. Plutonium solubility was measured, and speciation was investigated using laser photoacoustic spectroscopy and chemical methods.

  11. Coordination chemistry of two heavy metals: I, Ligand preferences in lead(II) complexation, toward the development of therapeutic agents for lead poisoning: II, Plutonium solubility and speciation relevant to the environment

    Energy Technology Data Exchange (ETDEWEB)

    Neu, M.P. [Lawrence Berkeley Lab., CA (United States)

    1993-11-01

    The coordination chemistry and solution behavior of the toxic ions lead(II) and plutonium(IV, V, VI) have been investigated. The ligand pK{sub a}s and ligand-lead(II) stability constants of one hydroxamic acid and four thiohydroaxamic acids were determined. Solution thermodynamic results indicate that thiohydroxamic acids are more acidic and slightly better lead chelators than hydroxamates, e.g., N-methylthioaceto-hydroxamic acid, pK{sub a} = 5.94, log{beta}{sub 120} = 10.92; acetohydroxamic acid, pK{sub a} = 9.34, log{beta}{sub l20} = 9.52. The syntheses of lead complexes of two bulky hydroxamate ligands are presented. The X-ray crystal structures show the lead hydroxamates are di-bridged dimers with irregular five-coordinate geometry about the metal atom and a stereochemically active lone pair of electrons. Molecular orbital calculations of a lead hydroxamate and a highly symmetric pseudo octahedral lead complex were performed. The thermodynamic stability of plutonium(IV) complexes of the siderophore, desferrioxamine B (DFO), and two octadentate derivatives of DFO were investigated using competition spectrophotometric titrations. The stability constant measured for the plutonium(IV) complex of DFO-methylterephthalamide is log{beta}{sub 110} = 41.7. The solubility limited speciation of {sup 242}Pu as a function of time in near neutral carbonate solution was measured. Individual solutions of plutonium in a single oxidation state were added to individual solutions at pH = 6.0, T = 30.0, 1.93 mM dissolved carbonate, and sampled over intervals up to 150 days. Plutonium solubility was measured, and speciation was investigated using laser photoacoustic spectroscopy and chemical methods.

  12. Chemical Abstracts cumple cien años

    OpenAIRE

    Martínez-Rodríguez, Luis-Javier

    2007-01-01

    A review of the first hundred years of Chemical Abstracts Service (CAS) shows its role and significance as: (i) a witness to the changes in international scientific leadership; (ii) a classical example of scientific documentation; (iii) a general catalogue of chemical molecules in our natural and artificial world; (iv) a close ally of chemical and pharmacological industries; and (v) a paradoxically unsettled agent at a crossroads of the digital world. The uncertain future of CAS also symb...

  13. In vitro evaluation of the cyto-genotoxic potential of Ruthenium(II) SCAR complexes: a promising class of antituberculosis agents.

    Science.gov (United States)

    De Grandis, Rone Aparecido; Resende, Flávia Aparecida; da Silva, Monize Martins; Pavan, Fernando Rogério; Batista, Alzir Azevedo; Varanda, Eliana Aparecida

    2016-03-01

    Tuberculosis is a top infectious disease killer worldwide, caused by the bacteria Mycobacterium tuberculosis. Increasing incidences of multiple drug-resistance (MDR) strains are emerging as one of the major public health threats. However, the drugs in use are still incapable of controlling the appalling upsurge of MDR. In recent years a marked number of research groups have devoted their attention toward the development of specific and cost-effective antimicrobial agents against targeted MDR-Tuberculosis. In previous studies, ruthenium(II) complexes (SCAR) have shown a promising activity against MDR-Tuberculosis although few studies have indeed considered ruthenium toxicity. Therefore, within the preclinical requirements, we have sought to determine the cyto-genotoxicity of three SCAR complexes in this present study. The treatment with the SCARs induced a concentration-dependent decrease in cell viability in CHO-K1 and HepG2 cells. Based on the clonogenic survival, SCAR 5 was found to be more cytotoxic while SCAR 6 exhibited selectivity action on tumor cells. Although SCAR 4 and 5 did not indicate any mutagenic activity as evidenced by the Ames and Cytokinesis block micronucleus cytome assays, the complex SCAR 6 was found to engender a frameshift mutation detected by Salmonella typhimurium in the presence of S9. Similarly, we observed a chromosomal damage in HepG2 cells with significant increases of micronuclei and nucleoplasmic bridges. These data indicate that SCAR 4 and 5 complexes did not show genotoxicity in our models while SCAR 6 was considered mutagenic. This study presented a comprehensive genotoxic evaluation of SCAR complexes were shown to be genotoxic in vitro. All in all, further studies are required to fully elucidate how the properties can affect human health.

  14. Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol

    Science.gov (United States)

    Zienkiewicz-Machnik, Małgorzata; Masternak, Joanna; Kazimierczuk, Katarzyna; Barszcz, Barbara

    2016-12-01

    Two novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an almost perfect octahedral geometry (a chromophore of {MN2O4} type). The coordination sphere of Mn(II) is completed by two molecules of water, whereas, in polynuclear complex 2, Cu(II) atoms are linked along the a crystallographic direction by bridging sulfate ligands in a μ2-κ2 binding mode to form chains. The intermolecular interactions in 1 and 2 have been interpreted in view of the 3D Hirshfeld surface analysis and associated 2D fingerprint plots. Furthermore, the complexes have been tested with ABTSrad + assay in order to assess their antioxidant activity. In addition, the IC50 values calculated for 1 and 2 revealed that the complexes show a higher antioxidant activity than corresponding ligand.

  15. Decontamination Strategy for Large Area and/or Equipment Contaminated with Chemical and Biological Agents using a High Energy Arc Lamp (HEAL)

    Energy Technology Data Exchange (ETDEWEB)

    Schoske, Richard [ORNL; Kennedy, Patrick [ORNL; Duty, Chad E [ORNL; Smith, Rob R [ORNL; Huxford, Theodore J [ORNL; Bonavita, Angelo M [ORNL; Engleman, Greg [ORNL; Vass, Arpad Alexander [ORNL; Griest, Wayne H [ORNL; Ilgner, Ralph H [ORNL; Brown, Gilbert M [ORNL

    2009-04-01

    A strategy for the decontamination of large areas and or equipment contaminated with Biological Warfare Agents (BWAs) and Chemical Warfare Agents (CWAs) was demonstrated using a High Energy Arc Lamp (HEAL) photolysis system. This strategy offers an alternative that is potentially quicker, less hazardous, generates far less waste, and is easier to deploy than those currently fielded by the Department of Defense (DoD). For example, for large frame aircraft the United States Air Force still relies on the combination of weathering (stand alone in environment), air washing (fly aircraft) and finally washing the aircraft with Hot Soapy Water (HSW) in an attempt to remove any remaining contamination. This method is laborious, time consuming (upwards of 12+ hours not including decontamination site preparation), and requires large amounts of water (e.g., 1,600+ gallons for a single large frame aircraft), and generates large amounts of hazardous waste requiring disposal. The efficacy of the HEAL system was demonstrated using diisopropyl methyl phosphonate (DIMP) a G series CWA simulant, and Bacillus globigii (BG) a simulant of Bacillus anthracis. Experiments were designed to simulate the energy flux of a field deployable lamp system that could stand-off 17 meters from a 12m2 target area and uniformly expose a surface at 1360 W/m2. The HEAL system in the absence of a catalyst reduced the amount of B. globigii by five orders of magnitude at a starting concentration of 1.63 x 107 spores. In the case of CWA simulants, the HEAL system in the presence of the catalyst TiO2 effectively degraded DIMP sprayed onto a 100mm diameter Petri dish in 5 minutes.

  16. A new method of inhibiting pollutant release from source water reservoir sediment by adding chemical stabilization agents combined with water-lifting aerator

    Institute of Scientific and Technical Information of China (English)

    Beibei Chai; Tinglin Huang; Weihuang Zhu; Fengying Yang

    2011-01-01

    Source water reservoirs easily become thermally and dynamically stratified.Internal pollution released from reservoir sediments is the main cause of water quality problems.To mitigate the internal pollution more effectively,a new method,which combined chemical stabilization with water lifting aerator (WLA) technology,was proposed and its efficiency in inhibiting pollutant release was studied by controlled sediment-water interface experiments.The results showed that this new method can inhibit pollutant release from sediment effectively.The values of mean efficiency (E) in different reactors 2#-5# (1# with no agent,2# 10 mg/L polymeric aluminum chloride (PAC) was added,3# 20 mg/L PAC was added,4# 30 mg/L PAC was added,5# 20 mg/L PAC and 0.2 mg/L palyacrylamide (PAM)were added) for PO43- were 35.0%,43.9%,50.4% and 63.6%,respectively.This showed that the higher the PAC concentration was,the better the inhibiting efficiency was,and PAM addition strengthened the inhibiting efficiency significantly.For Fe2+,the corresponding values of E for the reactors 2#-5# were 22.9%,47.2%,34.3% and 46.2%,respectively.The inhibiting effect of PAC and PAM on Mn release remained positive for a relatively short time,about 10 days,and was not so effective as for PO43- and Fe2+.The average efliciencies in inhibiting the release of UV254 were 35.3%,25.9%,35.5%,38.9% and 39.5% for reactors 2#-5#,respectively.The inhibiting mechanisms of the agents for different pollutants varied among the conditions and should be studied further.

  17. /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.

  18. Structure of N'-(adamantan-2-ylidene)benzohydrazide, a potential antibacterial agent, in solution: Molecular dynamics simulations, quantum chemical calculations and Ultraviolet–visible spectroscopy studies

    Indian Academy of Sciences (India)

    ALEXANDER M ANDRIANOV; IVAN A KASHYN; VIKTOR M ANDRIANOV; MAKSIM B SHUNDALAU; ANTON V HLINISTY; SERGEY V GAPONENKO; ELENA V SHABUNYA -KLYACHKOVSKAYA; ANNA MATSUKOVICH; ABDUL-MALEK S AL- TAMIMI; ALI A EL- EMAM

    2016-12-01

    The molecular dynamics simulations of the structure of the N'-(adamantan-2-ylidene)benzohydrazide followed by the quantum chemical calculations at the DFT level of theory have identified four stable conformers of this potential antibacterial agent in solution: one “central” cis- and three (“central”, “left” and “right”) trans-conformers. The UV-Vis absorption spectrum in the 220–320 nm region in the ethanol solution reveals two bands that can be primarily explained based on the ab initio calculations of the spectral characteristics of the “side” trans-conformers at the MRPT level of theory. However, the close energy values for thecalculated cis- S₁ ← S₀ and “side” trans- S₂ ← S₀ transitions cannot exclude the presence of cis-conformer in solution. Therefore, the data obtained show that the coexistence of both trans-conformers and cis-conformer should be taken into consideration when studying the pharmaceutical properties of the title molecule.

  19. EFFECTS OF CHEMICAL FOAMING AGENTS ON THE PHYSICO-MECHANICAL PROPERTIES AND RHEOLOGICAL BEHAVIOR OF BAMBOO POWDER-POLYPROPYLENE FOAMED COMPOSITES

    Directory of Open Access Journals (Sweden)

    Xiaxing Zhou,

    2012-02-01

    Full Text Available To make full use of bamboo resources in China and explore the foaming mechanism of bamboo powder-polypropylene (PP foamed composites, a foamed composite of 54 wt% PP and 13 wt% HMSPP containing 33 wt% bamboo powder blends was prepared by injection moulding. Effects of chemical foaming agents (CFA on the mechanical properties and rheological behavior of foamed composites were investigated. The mechanical measurements and ESEM test results indicated that the composite with 1% modified exothermic FA had smaller cell size and better cell distribution compared with endothermic FA. It also had better physico-mechanical properties, with a decrease of 14.2% in density and an increase of 16.8% to 40.2% in the specific tensile, bending, and notched impact strength compared with the non-foamed composite. The frequency sweep results indicated that all composites had a shear- thinning behavior, and both the modulus and complex viscosity of composite with 1% exothermic FA decreased compared with those of the non-foamed composite. The shear rate scans revealed that the non-Newtonian fluid index increased with the increase of exothermic FA content. The viscous activation energy of the modified composite with 1% exothermic FA was 46.41KJ•mol-1. This was an increase of 8.9% compared with that of the non-foamed analogue.

  20. Comparative proteomic analysis of a membrane-enriched fraction from flag leaves reveals responses to chemical hybridization agent SQ-1 in wheat

    Directory of Open Access Journals (Sweden)

    Qilu eSong

    2015-08-01

    Full Text Available The induction of wheat male fertile lines by using the chemical hybridizing agent SQ-1 (CHA-SQ-1 is an effective approach in the utilization of heterosis; however, the molecular basis of male fertility remains unknown. Wheat flag leaves are the initial receptors of CHA-SQ-1 and their membrane structure plays a vital role in response to CHA-SQ-1 stress. To investigate the response of wheat flag leaves to CHA-SQ-1 stress, we compared their quantitative proteomic profiles in the absence and presence of CHA-SQ-1. Our results indicated that wheat flag leaves suffered oxidative stress during CHA-SQ-1 treatments. Leaf O2-, H2O2, and malonaldehyde levels were significantly increased within 10 h after CHA-SQ-1 treatment, while the activities of major antioxidant enzymes such as superoxide dismutase, catalase, and guaiacol peroxidase were significantly reduced. Proteome profiles of membrane-enriched fraction showed a change in the abundance of a battery of membrane proteins involved in multiple biological processes. These variable proteins mainly impaired photosynthesis, ATP synthesis protein mechanisms and were involved in the response to stress. These results provide an explanation of the relationships between membrane proteomes and anther abortion and the practical application of CHA for hybrid breeding.

  1. Occupational exposure to chemical and biological agents in the nonproduction departments of pulp, paper, and paper product mills: an international study.

    Science.gov (United States)

    Teschke, K; Ahrens, W; Andersen, A; Boffetta, P; Fincham, S; Finkelstein, M; Henneberger, P; Kauppinen, T; Kogevinas, M; Korhonen, K; Liss, G; Liukkonnen, T; Osvoll, P; Savela, A; Szadkowska-Stanczyk, I; Westberg, H; Widerkiewicz, K

    1999-01-01

    As part of an international epidemiological study of workers in the pulp and paper industry, previously unpublished exposure measurements were assembled in a database. This article describes 7293 measurements in nonproduction departments from 147 mills in 11 countries. The greatest variety of agents was measured in the maintenance, construction, and cleaning department, where high exposures to asbestos, chromium [VI] compounds, copper, mercury in urine, nitrogen dioxide, ozone, styrene, sulfur dioxide, trichloroethylene, and welding fumes were observed. Measurements in the storage, yard, loading, and shipping department indicated high exposures to asbestos, carbon monoxide, fungal spores, nitrogen oxides, sulfur dioxide, and total dust. The steam and power generation department had high exposures to methyl mercaptan, silica, and total dust. Measurements in process and effluent water treatment, laboratory and research, engineering, and office, administration, and cafeteria areas had few elevated exposures. Throughout the nonproduction departments, measurements of pulp-production chemicals such as chlorine and sulfur compounds tended to be low, with many below detection limits. There were some problems with the available data; in particular, detection limits were often not specified, and the data tended to be clustered in such a way that sources of exposure variability could not be distinguished. Despite these problems, the data provide new insight into the exposures of nonproduction pulp and paper industry personnel.

  2. Toxicology and pharmacology of the chemical warfare agent sulfur mustard - a review. Final technical report, 29 September 1994-31 January 1995

    Energy Technology Data Exchange (ETDEWEB)

    Dacre, J.C.; Beers, R.; Goldman, M.

    1995-04-05

    Sulfur mustard is a poisonous chemical agent which exerts a local action on the eyes, skin and respiratory tissue with subsequent systemic action on the nervous, cardiac, and digestive and endocrine systems in man and laboratory animals causing lacrimation, malaise, anorexia, salivation, respiratory distress, vomiting, hyperexcitability, cardiac distress, and death. Sulfur mustard is a cell poison which causes disumption and impairment of a variety of cellular activities which are dependent upon a very specific integral relationship. These cytotoxic effects are manifested in widespread metabolic disturbances whose variable characteristics are observed in enzymatic deficiencies, vesicant action, abnormal mitotic activity and cell division, bone marrow disruption, disturbances in hematopoietic activity and systemic poisoning. Indeed, mustard gas readily combines with various components of the cell such as amino acids, amines and proteins. Sulfur mustard has been shown to be mainly a lung carcinogen in various test animal species; this effect is highly dependent of size of the dose and the route of exposure. In the human, there is evidence of cancers of the respiratory tract in men exposed to mustard gas. Mutagenicity of sulfur mustard, due to the strong alkylating activity, has been reported to occur in many different species of animals, plants, bacteria, and fungi. There is no strong evidence that sulfur mustard is a teratogen but much further research, with particular emphasis on maternal and fetal toxicity, is needed and recommended.

  3. Chemicals agents and human male fertility: Review of the past thirty years literature; Sostanze chimiche e infertilita` maschile: Rassegna degli studi condotti negli ultimi trenta anni

    Energy Technology Data Exchange (ETDEWEB)

    Traina, Maria Elsa; Urbani, Elisabetta [Istituto Superiore di Sanita`, Rome (Italy). Lab. di Igiene Ambientale; Petrelli, Grazia; Pasquali, Massimo; Pace, Francesca [Istituto Superiore di Sanita`, Rome (Italy). Lab. di Epidemiologia e Biostatistica

    1997-03-01

    The effects of several industrial and environmental pollutants on the male reproductive system are known from animal studies, but to date the impact on human fertility is still scarcely documented by epidemiological studies. The literature of the past thirty years on the adverse effects of occupational chemical factors on human male fertility is reviewed. Eighty-nine studies have been analysed with the purpose to identify the substances and/or the working categories investigated and to evaluate the methods used. Since 1977 the interest has been focused on the human exposures to 1,2-dibromochloropropane, a powerful spermatotoxic agent, but a consistent number of studies was also related to other active ingredients of pesticides (lindane, carbaryl, 2,4-dichlorofenoxiacetic acid), solvents (glycol ethers, carbon disulfide) and heavy metals (lead, cadmium). Among the indicators used in these studies to evaluate the effects on male fertility, the seminal parameters are analysed in 67 % of the reports; blood hormonal tests are done in 54 % of the cases. The literature suggests that further epidemiological studies need to be conducted in other working categories; more attention should be paid to the sensitivity and biological significance of the male reproductive parameters used in human studies.

  4. Chemical Warfare Agent Simulants in Gamble’s Fluid: Is the Fluid Toxic? Can It Be Made Safer by Inclusion of Solid Nanocrystalline Metal Oxides?

    Directory of Open Access Journals (Sweden)

    Dennis Karote

    2013-01-01

    Full Text Available The reactions of chemical warfare agent simulants, 2-chloroethyl ethyl sulfide (2-CEES and di-i-propyl fluoro phosphate (DFP, in fluids have been investigated. Data analyses confirm the major degradation pathway to be hydrolysis of 2-CEES to 2-hydroxyethyl ethyl sulfide, along with minor self-condensation products. Among the three fluids examined, 2-CEES degradation was the fastest in Gamble’s fluid during a 96 h period. Upon addition of Exceptional Hazard Attenuation Materials (EHAMs to 2-CEES containing Gamble’s fluid, degradation was generally improved during the first 24 h period. The 96 h outcome was similar for fluid samples with or without EHAM 2 and EHAM 4. EHAM 1-added fluid contained only one degradation product, 2-nitroethyl ethyl sulfide. DFP degradation was the slowest in Gamble’s fluid, but was enhanced by the addition of EHAMs. FTIR and solid state 31P NMR confirm the destructive adsorption of 2-CEES and DFP by the EHAMs. The results collectively demonstrate that 2-CEES and DFP decompose to various extents in Gamble’s fluid over a 96 h period but the fluid still contains a considerable amount of intact simulant. EHAM 1 appears to be promising for 2-CEES and DFP mitigation while EHAM 2 and EHAM 4 work well for early on concentration reduction of 2-CEES and DFP.

  5. Optimization of Quantitative Proteomics Using 2-Dimensional Difference Gel Electrophoresis to Characterize Molecular Mechanisms of Chemical Warfare Nerve Agent Exposure in the Rat Brain

    Science.gov (United States)

    2010-11-01

    damaging effects of nerve agents. Currently, one prophylactic (pyridostigmine) and three therapeutic drugs (atropine, pralidoxime chloride, and diazepam ...and J.H. McDonough, Efficacy of biperiden and atropine as anticonvulsant treatment for organophosphorus nerve agent intoxication. Archives of

  6. Chemical Agents: Facts about Evacuation

    Science.gov (United States)

    ... Alert Network (HAN) Responders Disaster Relief Volunteers Preventing Chain Saw Injuries During Tree Removal Electrical Safety and ... increased risk. The emergency shelter will have most supplies that people need. The emergency coordinators will tell ...

  7. ACTIONS TAKEN BY THE LOCAL AUTHORITIES OF THE KUBAN AND STAVROPOL REGIONS FOR DEVELOPING PRODUCTION OF CHEMICAL AGENTS FOR FARMING, OVER THE PERIOD FROM 1966 TO THE 1980-ies

    Directory of Open Access Journals (Sweden)

    Olga Ivanovna Alekseenko

    2015-01-01

    Full Text Available The paper considered the actions taken by the local authorities of the Kuban and Stavropol Regions for developing production of chemical agents for farming over the period from 1966 to the-1980-ies. The author examined the measures undertaken by both the central authority and local power bodies, for construction of enterprises for the chemical industry, to expand the output of mineral fertilizers. The paper examined the practices of industrial operation of the Nevinnomyssk chemical complex, the Krasnodar chemical plant, the complex of vitamin and biochemical reagents named after K. Marx, and the chemical plant located in the Кropotkin town. The review has pointed out that these enterprises have taken an appreciable part in supplying the farming sector with the high-quality chemical agents. The author has drawn a conclusion that owing to various patterns and techniques the CPSU and State bodies applied in raising labour and social activity in workers involved into the chemical production, the significant growth in production of mineral fertilizers has been achieved.

  8. In vitro mutagenicity testing. II. Silastic 386 Foam Elastomer, Irganox 1010, mixture of Sylgard 184 with Encapsulating Resin and Curing Agent, and dimethylbenzanthracene. [Ames test

    Energy Technology Data Exchange (ETDEWEB)

    Wang, S.Y.; Smith, D.M.

    1980-02-01

    Four materials, Silastic 386 Foam Elastomer, Irganox 1010, Sylgard 184 with Encapsulating Resin and Curing Agent, and 7,12-dimethylbenzanthracene (DMBA), were tested for in vitro mutagenicity by the Ames Salmonella assay method. Silastic 386 Foam Elastomer, Irganox 1010, and Sylgard 184 Encapsulating Resin with Curing Agent were not mutagenic; the mutagenicity of DMBA was corroborated.

  9. Phytochemicals as Anticancer and Chemopreventive Topoisomerase II Poisons

    OpenAIRE

    2013-01-01

    Phytochemicals are a rich source of anticancer drugs and chemopreventive agents. Several of these chemicals appear to exert at least some of their effects through interactions with topoisomerase II, an essential enzyme that regulates DNA supercoiling and removes knots and tangles from the genome. Topoisomerase II-active phytochemicals function by stabilizing covalent protein-cleaved DNA complexes that are intermediates in the catalytic cycle of the enzyme. As a result, these compounds convert...

  10. Development of a gas-cylinder-free plasma desorption/ionization system for on-site detection of chemical warfare agents.

    Science.gov (United States)

    Iwai, Takahiro; Kakegawa, Ken; Aida, Mari; Nagashima, Hisayuki; Nagoya, Tomoki; Kanamori-Kataoka, Mieko; Miyahara, Hidekazu; Seto, Yasuo; Okino, Akitoshi

    2015-06-02

    A gas-cylinder-free plasma desorption/ionization system was developed to realize a mobile on-site analytical device for detection of chemical warfare agents (CWAs). In this system, the plasma source was directly connected to the inlet of a mass spectrometer. The plasma can be generated with ambient air, which is drawn into the discharge region by negative pressure in the mass spectrometer. High-power density pulsed plasma of 100 kW could be generated by using a microhollow cathode and a laboratory-built high-intensity pulsed power supply (pulse width: 10-20 μs; repetition frequency: 50 Hz). CWAs were desorbed and protonated in the enclosed space adjacent to the plasma source. Protonated sample molecules were introduced to the mass spectrometer by airflow through the discharge region. To evaluate the analytical performance of this device, helium and air plasma were directly irradiated to CWAs in the gas-cylinder-free plasma desorption/ionization system and the protonated molecules were analyzed by using an ion-trap mass spectrometer. A blister agent (nitrogen mustard 3) and nerve gases [cyclohexylsarin (GF), tabun (GA), and O-ethyl S-2-N,N-diisopropylaminoethyl methylphosphonothiolate (VX)] in solution in n-hexane were applied to the Teflon rod and used as test samples, after solvent evaporation. As a result, protonated molecules of CWAs were successfully observed as the characteristic ion peaks at m/z 204, 181, 163, and 268, respectively. In air plasma, the limits of detection were estimated to be 22, 20, 4.8, and 1.0 pmol, respectively, which were lower than those obtained with helium plasma. To achieve quantitative analysis, calibration curves were made by using CWA stimulant dipinacolyl methylphosphonate as an internal standard; straight correlation lines (R(2) = 0.9998) of the peak intensity ratios (target per internal standard) were obtained. Remarkably, GA and GF gave protonated dimer ions, and the ratios of the protonated dimer ions to the protonated

  11. Novel biosorbent with high adsorption capacity prepared by chemical modification of white pine (Pinus durangensis) sawdust. Adsorption of Pb(II) from aqueous solutions.

    Science.gov (United States)

    Salazar-Rabago, J J; Leyva-Ramos, R

    2016-03-15

    The natural sawdust (NS) from white pine (Pinus durangensis) was chemically modified by a hydrothermal procedure using citric, malonic and tartaric acids. The adsorption capacity of modified sawdust (MS) towards Pb(II) was considerably enhanced due to the introduction of carboxylic groups on the surface of MS during the modification, and the adsorption capacity was almost linearly dependent on the concentration of carboxylic sites. The NS surface was acidic, and the MS surface became more acidic after the modification. At T = 25 °C and pH = 5, the maximum adsorption capacity of the optimal MS towards Pb(II) was 304 mg/g, which is exceptionally high compared to NS and other MS reported previously. The adsorption capacity of MS was considerably reduced from 304 to 154 mg/g by decreasing the solution pH from 5 to 3 due to electrostatic interactions. The adsorption of Pb(II) on MS was reversible at pH = 2, but not at pH = 5. The contribution percentage of ion exchange to the overall adsorption capacity ranged from 70 to 99% and 10-66% at the initial pH of 3 and 5, respectively. Hence, the adsorption of Pb(II) on MS was mainly due to ion exchange at pH = 3 and to both ion exchange and electrostatic attraction at pH = 5.

  12. Synthesis, physico-chemical characterization and biological activity of copper(ii and nickel(ii complexes with l-benzoyl-2-methylbenzimidazole derivatives

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2002-01-01

    Full Text Available Chlorides of copper(II and nickel(ll react with 1-benzoyl-2-methylbenzimidazole or 1-(4-chlorobenzoyl-2-methylbenzimidazole to give complexes of the type [M(LnCln(H20∙Cln (M = Cu or Ni; L = (1-benzoyl-2-methylbenzimidazole or 1-(4-chlorobenzoyl-2-methylbenzimidazole; n=O, 1 or 2. The complexes were synthesized and characterized by elemental analysis, molar conductivity magnetic susceptibility measurements and IR spectra. These studies suggest that all the complexes possess an octahedral stereochemistry. The antibacterial activity of (1-benzoyl-2-methylbenzimidazole or 1-(4-chlorobenzoyl-2-methylbenzimidazole and their complexes was evaluated against Escherichia coli and Bacillus sp.

  13. Structural, Spectroscopic and Biological Aspects of O, N- Donor Schiff Base Ligand and its Cr(III, Co(II, Ni(II and Cu(II Complexes Synthesized through Green Chemical Approach

    Directory of Open Access Journals (Sweden)

    Kavita Rathore

    2010-01-01

    Full Text Available The monofunctional bidentate Schiff base ligand (o-vanillin p-chloroaniline and its four new complexes of chromium(III, cobalt(II, nickel(II and copper(II have been synthesized by classical thermal and microwave-irradiated techniques. All the new derivatives have been characterized by elemental analysis, molecular weight determinations, molar conductance measurements, UV-Vis, IR and NMR spectral studies. The IR spectral data suggest the involvement of phenolic oxygen after deprotonation and azomethine nitrogen in coordination to the central metal ion. The growth inhibiting potential of the ligands and complexes has been assessed against a variety of fungal and bacterial strains.

  14. Physico-chemical property of rare earths-effects on the energy regulation of photosystem II in Arabidopsis thaliana.

    Science.gov (United States)

    Xiaoqing, Liu; Hao, Huang; Chao, Liu; Min, Zhou; Fashui, Hong

    2009-08-01

    Photosystem II (PSII) from Arabidopsis thaliana treated by lanthanum (La(3+)), cerium (Ce(3+)), and neodymium (Nd(3+)) were isolated to investigate the effects of 4f electron characteristics and alternation valence of rare earth elements (REEs) on PSII function regulation comparatively. Results showed that REE treatment could induce the generous expression of LhcII b in A. thaliana and increase the content of light-harvesting complex II and its trimer on the thylakoid membrane significantly. Meanwhile, the light absorption in the red and blue region and fluorescence quantum yield near 683 nm were obviously increased; oxygen evolution rate was greatly improved too, suggesting that REEs could enhance the efficiency of light absorption, regulate excitation energy distribution from photosystem I (PSI) to PSII, and thus increase the activity of photochemical reaction and oxygen evolution accordingly. The efficiency order of the four treatments was Ce(3+) > Nd(3+) > La(3+) > control.

  15. Cytological and comparative proteomic analyses on male sterility in Brassica napus L. induced by the chemical hybridization agent monosulphuron ester sodium.

    Directory of Open Access Journals (Sweden)

    Yufeng Cheng

    Full Text Available Male sterility induced by a chemical hybridization agent (CHA is an important tool for utilizing crop heterosis. Monosulphuron ester sodium (MES, a new acetolactate synthase-inhibitor herbicide belonging to the sulphonylurea family, has been developed as an effective CHA to induce male sterility in rapeseed (Brassica napus L.. To understand MES-induced male sterility in rapeseed better, comparative cytological and proteomic analyses were conducted in this study. Cytological analysis indicated that defective tapetal cells and abnormal microspores were gradually generated in the developing anthers of MES-treated plants at various development stages, resulting in unviable microspores and male sterility. A total of 141 differentially expressed proteins between the MES-treated and control plants were revealed, and 131 of them were further identified by MALDI-TOF/TOF MS. Most of these proteins decreased in abundance in tissues of MES-treated rapeseed plants, and only a few increased. Notably, some proteins were absent or induced in developing anthers after MES treatment. These proteins were involved in several processes that may be crucial for tapetum and microspore development. Down-regulation of these proteins may disrupt the coordination of developmental and metabolic processes, resulting in defective tapetum and abnormal microspores that lead to male sterility in MES-treated plants. Accordingly, a simple model of CHA-MES-induced male sterility in rapeseed was established. This study is the first cytological and dynamic proteomic investigation on CHA-MES-induced male sterility in rapeseed, and the results provide new insights into the molecular events of male sterility.

  16. Wipe selection for the analysis of surface materials containing chemical warfare agent nitrogen mustard degradation products by ultra-high pressure liquid chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Willison, Stuart A

    2012-12-28

    Degradation products arising from nitrogen mustard chemical warfare agent were deposited on common urban surfaces and determined via surface wiping, wipe extraction, and liquid chromatography–tandem mass spectrometry detection. Wipes investigated included cotton gauze, glass fiber filter, non-woven polyester fiber and filter paper, and surfaces included several porous (vinyl tile, painted drywall, wood) and mostly non-porous (laminate, galvanized steel, glass) surfaces. Wipe extracts were analyzed by ultra-high pressure liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) and compared with high performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS) results. An evaluation of both techniques suggests UPLC–MS/MS provides a quick and sensitive analysis of targeted degradation products in addition to being nearly four times faster than a single HPLC run, allowing for greater throughput during a wide-spread release concerning large-scale contamination and subsequent remediation events. Based on the overall performance of all tested wipes, filter paper wipes were selected over other wipes because they did not contain interferences or native species (TEA and DEA) associated with the target analytes, resulting in high percent recoveries and low background levels during sample analysis. Other wipes, including cotton gauze, would require a pre-cleaning step due to the presence of large quantities of native species or interferences of the targeted analytes. Percent recoveries obtained from a laminate surface were 47–99% for all nitrogen mustard degradation products. The resulting detection limits achieved from wipes were 0.2 ng/cm(2) for triethanolamine (TEA), 0.03 ng/cm(2) for N-ethyldiethanolamine (EDEA), 0.1 ng/cm(2) for N-methyldiethanolamine (MDEA), and 0.1 ng/cm(2) for diethanolamine (DEA).

  17. Comparison of latex body paint with wetted gauze wipes for sampling the chemical warfare agents VX and sulfur mustard from common indoor surfaces.

    Science.gov (United States)

    Hernon-Kenny, Laura A; Behringer, Deborah L; Crenshaw, Michael D

    2016-05-01

    Comparison of solvent-wetted gauze with body paint, a peelable surface sampling media, for the sampling of the chemical warfare agents VX and sulfur mustard from nine surfaces was performed. The nine surfaces sampled are those typical of interior public venues and include smooth, rough, porous, and non-porous surfaces. Overall, solvent-wetted gauze (wipes) performed better for the recovery of VX from non-porous surfaces while body paint (BP) performed better for the porous surfaces. The average percent VX recoveries using wipes and BP, respectively, are: finished wood flooring, 86.2%, 71.4%; escalator handrail, 47.3%, 26.7%; stainless steel, 80.5%, 56.1%; glazed ceramic tile, 81.8%, 44.9%; ceiling tile, 1.77%, 13.1%; painted drywall 7.83%, 21.1%; smooth cement, 0.64%, 10.3%; upholstery fabric, 24.6%, 23.1%; unfinished wood flooring, 9.37%, 13.1%. Solvent-wetted gauze performed better for the recovery of sulfur mustard from three of the relatively non-porous surfaces while body paint performed better for the more porous surfaces. The average percent sulfur mustard recoveries using wipes and BP, respectively, are: finished wood flooring, 30.2%, 2.97%; escalator handrail, 4.40%, 4.09%; stainless steel, 21.2%, 3.30%; glazed ceramic tile, 49.7%, 16.7%; ceiling tile, 0.33%, 11.1%; painted drywall 2.05%, 10.6%; smooth cement, 1.20%, 35.2%; upholstery fabric, 7.63%, 6.03%; unfinished wood flooring, 0.90%, 1.74%.

  18. Study of rosin-glycerol esters as microencapsulating materials. II. Quantitative correlation between physico-chemical properties and release characteristics.

    Science.gov (United States)

    Pathak, Y V; Rao, M N; Dorle, A K

    1985-01-01

    Rosin-glycerol esters have been used as microencapsulating materials. A quantitative correlation has been observed between the physico-chemical properties, i.e. acid value and moisture affinity, and the release characteristics from the encapsulated drug.

  19. Icariside II, a Broad-Spectrum Anti-cancer Agent, Reverses Beta-Amyloid-Induced Cognitive Impairment through Reducing Inflammation and Apoptosis in Rats

    Science.gov (United States)

    Deng, Yuanyuan; Long, Long; Wang, Keke; Zhou, Jiayin; Zeng, Lingrong; He, Lianzi; Gong, Qihai

    2017-01-01

    Beta-amyloid (Aβ) deposition, associated neuronal apoptosis and neuroinflammation are considered as the important factors which lead to cognitive deficits in Alzheimer’s disease (AD). Icariside II (ICS II), an active flavonoid compound derived from Epimedium brevicornum Maxim, has been extensively used to treat erectile dysfunction, osteoporosis and dementia in traditional Chinese medicine. Recently, ICS II attracts great interest due to its broad-spectrum anti-cancer property. ICS II shows an anti-inflammatory potential both in cancer treatment and cerebral ischemia-reperfusion. It is not yet clear whether the anti-inflammatory effect of ICS II could delay progression of AD. Therefore, the current study aimed to investigate the effects of ICS II on the behavioral deficits, Aβ levels, neuroinflammatory responses and apoptosis in Aβ25-35-treated rats. We found that bilateral hippocampal injection of Aβ25-35 induced cognitive impairment, neuronal damage, along with increase of Aβ, inflammation and apoptosis in hippocampus of rats. However, treatment with ICS II 20 mg/kg could improve the cognitive deficits, ameliorate neuronal death, and reduce the levels of Aβ in the hippocampus. Furthermore, ICS II could suppress microglial and astrocytic activation, inhibit expression of IL-1β, TNF-α, COX-2, and iNOS mRNA and protein, and attenuate the Aβ induced Bax/Bcl-2 ratio elevation and caspase-3 activation. In conclusion, these results showed that ICS II could reverse Aβ-induced cognitive deficits, possibly via the inhibition of neuroinflammation and apoptosis, which suggested a potential protective effect of ICS II on AD. PMID:28210222

  20. Fractionally distilled SRC-I, SRC-II, EDS, H-Coal and ITSL direct coal liquefaction process materials: a comparative summary of chemical analysis and biological testing

    Energy Technology Data Exchange (ETDEWEB)

    Wright, C.W.; Later, D.W.; Dauble, D.D.; Wilson, B.W.

    1985-07-01

    This document reports and compares the results compiled from chemical analyses and biological testing of coal liquefaction process materials which were fractionally distilled, after production, into various comparable boiling-point range cuts. Comparative analyses were performed on solvent refined coal (SRC)-I, SRC-II, H-Coal, EDS an integrated two-stage liquefaction (ITSL) distillate materials. Mutagenicity and carcinogenicity assays were conducted in conjunction with chromatographic and mass spectrometric analyses to provide detailed, comparative, chemical and biological assessments. Where possible, results obtained from the distillate cuts are compared to those from coal liquefaction materials with limited boiling ranges. Work reported here was conducted by investigators in the Biology and Chemistry Department at the Pacific Northwest Laboratory (PNL), Richland, WA. 38 refs., 16 figs., 27 tabs.

  1. The population of planetary nebulae and H II regions in M 81. A study of radial metallicity gradients and chemical evolution

    Science.gov (United States)

    Stanghellini, L.; Magrini, L.; Villaver, E.; Galli, D.

    2010-10-01

    Context. M 81 is an ideal laboratory to investigate the galactic chemical and dynamical evolution through the study of its young and old stellar populations. Aims: We analyze the chemical abundances of planetary nebulae and H ii regions in the M 81 disk for insight on galactic evolution, and compare it with that of other galaxies, including the Milky Way. Methods: We acquired Hectospec/MMT spectra of 39 PNe and 20 H ii regions, with 33 spectra viable for temperature and abundance analysis. Our PN observations represent the first PN spectra in M 81 ever published, while several H ii region spectra have been published before, although without a direct electron temperature determination. We determine elemental abundances of helium, nitrogen, oxygen, neon, sulfur, and argon in PNe and H ii regions, and determine their averages and radial gradients. Results: The average O/H ratio of PNe compared to that of the H ii regions indicates a general oxygen enrichment in M 81 in the last ~10 Gyr. The PN metallicity gradient in the disk of M 81 is Δlog(O/H)/ΔRG = -0.055 ± 0.02 dex/kpc. Neon and sulfur in PNe have a radial distribution similar to that of oxygen, with similar gradient slopes. If we combine our H ii sample with the one in the literature we find a possible mild evolution of the gradient slope, with results consistent with gradient steepening with time. Additional spectroscopy is needed to confirm this trend. There are no type I PNe in our M 81 sample, consistently with the observation of only the brightest bins of the PNLF, the galaxy metallicity, and the evolution of post-AGB shells. Conclusions: Both the young and the old populations of M 81 disclose shallow but detectable negative radial metallicity gradient, which could be slightly steeper for the young population, thus not excluding a mild gradients steepening with the time since galaxy formation. During its evolution M 81 has been producing oxygen; its total oxygen enrichment exceeds that of other nearby

  2. Solid phase extraction and preconcentration of Cu(II), Pb(II), and Ni(II) in environmental samples on chemically modified Amberlite XAD-4 with a proper Schiff base.

    Science.gov (United States)

    Topuz, Berrin; Macit, Mustafa

    2011-02-01

    A new chelating resin, Amberlite XAD-4 loaded with N,N-bis(salicylidene)cyclohexanediamine (SCHD), was synthesized and characterized. The resin Amberlite XAD-4-SCHD was used for selective separation, preconcentration, and determination of Cu(II), Pb(II), and Ni(II) ions in water samples by flame atomic absorption spectrometry (FAAS). Effects of pH, concentration, and volume of elution solution; flow rate of elution; and sample solution, sample volume, and interfering ions for the recovery of the analytes were investigated. These metal ions can be desorbed with 0.5-M HNO3 (recovery, 98%-101%). The sorption capacity was found between 1.38×10(-1) and 3.58×10(-1) mmol/g. In order to evaluate the accuracy of the proposed procedure, the certified reference materials, BCR-032 (Moroccan phosphate rock) and BCR-715 (industrial effluent wastewater), were analyzed. The detection limits of the method were found to be 0.11, 1.91, and 0.43 μg/L for Cu(II), Pb(II), and Ni(II), respectively. The method was applied to the extraction and the recovery of copper, lead, and nickel in wastewater and other water samples.

  3. Quantum-chemical, NMR, FT IR, and ESI MS studies of complexes of colchicine with Zn(II).

    Science.gov (United States)

    Jankowski, Wojciech; Kurek, Joanna; Barczyński, Piotr; Hoffmann, Marcin

    2017-04-01

    Colchicine is a tropolone alkaloid from Colchicinum autumnale. It shows antifibrotic, antimitotic, and anti-inflammatory activities, and is used to treat gout and Mediterranean fever. In this work, complexes of colchicine with zinc(II) nitrate were synthesized and investigated using DFT, (1)H and (13)C NMR, FT IR, and ESI MS. The counterpoise-corrected and uncorrected interaction energies of these complexes were calculated. We also calculated their (1)H, (13)C NMR, and IR spectra and compared them with the corresponding experimentally obtained data. According to the ESI MS mass spectra, colchicine forms stable complexes with zinc(II) nitrate that have various stoichiometries: 2:1, 1:1:1, and 2:1:1 with respect to colchichine, Zn(II), and nitrate ion. All of the complexes were investigated using the quantum theory of atoms in molecules (QTAIM). The calculated and the measured spectra showed differences before and after the complexation process. Calculated electron densities and bond critical points indicated the presence of bonds between the ligands and the central cation in the investigated complexes that satisfied the quantum theory of atoms in molecules. Graphical Abstract DFT, NMR, FT IR, ESI MS, QTAIM and puckering studies of complexes of colchicine with Zn(II).

  4. A study of the effects of enhanced oil recovery agents on the quality of Strategic Petroleum Reserves crude oil. [Physical and chemical interactions of Enhanced Oil Recovery reagents with hydrocarbons present in petroleum

    Energy Technology Data Exchange (ETDEWEB)

    Kabadi, V.N.

    1992-10-01

    The project was initiated on September 1, 1990. The objective of the project was to carry out a literature search to estimate the types and extents of long time interactions of enhanced oil recovery (EOR) agents, such as surfactants, caustics and polymers, with crude oil. This information is necessary to make recommendations about mixing EOR crude oil with crude oils from primary and secondary recovery processes in the Strategic Petroleum Reserve (SPR). Data were sought on both adverse and beneficial effects of EOR agents that would impact handling, transportation and refining of crude oil. An extensive literature search has been completed, and the following informations has been compiled: (1) a listing of existing EOR test and field projects; (2) a listing of currently used EOR agents; and (3) evidence of short and long term physical and chemical interactions of these EOR-agents with hydrocarbons, and their effects on the quality of crude oil at long times. This information is presented in this report. Finally some conclusions are derived and recommendations are made. Although the conclusions are based mostly on extrapolations because of lack of specific data, it is recommended that the enhancement of the rates of biodegradation of oil catalyzed by the EOR agents needs to be further studied. There is no evidence of substantial long term effects on crude oil because of other interactions. Some recommendations are also made regarding the types of studies that would be necessary to determine the effect of certain EOR agents on the rates of biodegradation of crude oil.

  5. Rapid adsorption of toxic Pb(II) ions from aqueous solution using multiwall carbon nanotubes synthesized by microwave chemical vapor deposition technique.

    Science.gov (United States)

    Mubarak, Nabisab Mujawar; Sahu, Jaya Narayan; Abdullah, Ezzat Chan; Jayakumar, Natesan Subramanian

    2016-07-01

    Multiwall carbon nanotubes (MWCNTs) were synthesized using a tubular microwave chemical vapor deposition technique, using acetylene and hydrogen as the precursor gases and ferrocene as catalyst. The novel MWCNT samples were tested for their performance in terms of Pb(II) binding. The synthesized MWCNT samples were characterized using Fourier Transform Infrared (FT-IR), Brunauer, Emmett and Teller (BET), Field Emission Scanning Electron Microscopy (FESEM) analysis, and the adsorption of Pb(II) was studied as a function of pH, initial Pb(II) concentration, MWCNT dosage, agitation speed, and adsorption time, and process parameters were optimized. The adsorption data followed both Freundlich and Langmuir isotherms. On the basis of the Langmuir model, Qmax was calculated to be 104.2mg/g for the microwave-synthesized MWCNTs. In order to investigate the dynamic behavior of MWCNTs as an adsorbent, the kinetic data were modeled using pseudo first-order and pseudo second-order equations. Different thermodynamic parameters, viz., ∆H(0), ∆S(0) and ∆G(0) were evaluated and it was found that the adsorption was feasible, spontaneous and endothermic in nature. The statistical analysis revealed that the optimum conditions for the highest removal (99.9%) of Pb(II) are at pH5, MWCNT dosage 0.1g, agitation speed 160r/min and time of 22.5min with the initial concentration of 10mg/L. Our results proved that microwave-synthesized MWCNTs can be used as an effective Pb(II) adsorbent due to their high adsorption capacity as well as the short adsorption time needed to achieve equilibrium.

  6. Chemical Speciation of the System Cu(II)-Indomethacin in Ethanol and Water by UV-Vis Spectrophotometry

    OpenAIRE

    Norma Rodríguez-Laguna; Reyes-García, Luis I.; Rosario Moya-Hernández; Alberto Rojas-Hernández; Rodolfo Gómez-Balderas

    2016-01-01

    It has been proposed that the metal-drug complexes could be in fact the active agents displaying therapeutic effects of drugs. The characterization of the global formation equilibrium of complexes formed between metal ions and species with biological activity such as nonsteroidal anti-inflammatory drugs provides essential information to understand the mechanism of action of drugs. Since equilibrium constants determine the relative predominance of species, they provide crucial information to i...

  7. History of the Chemical Warfare Service in World War II. Biological Warfare Research in the United States, Volume 2

    Science.gov (United States)

    1947-11-01

    Direotor: ; O m 4 Dr# Carl A> Bnmdly (Services for all Senior Pathologist personnel "paid by Regional Poultry Research Laboratory Tlar...paper pulp . The detoxified toxin was then mixed in a 100-gailon stainless steel tank, to ensure uniformity of product end expedite safe testing of the...a vacuum evaporator, and an Oliver filter were used to harvest the yield. Efforts to separate the agent material from its broth culture by means

  8. Studies on the sea surface microlayer. II. The layer of sudden change of physical and chemical properties.

    Science.gov (United States)

    Zhang, Zhengbin; Liu, Liansheng; Liu, Chunying; Cai, Weijun

    2003-08-01

    Seawater samples of the sea surface microlayer were obtained from the ocean, coastal waters, and laboratory imitation experiments adopting glass plate, rotating drum, screen, and funnel samplers. The result was that surface microlayer samples of thickness 50 microm could be taken, not by the popular screen and funnel techniques, but by glass plate or rotating drum techniques. The layer of sudden change of physical and chemical properties in the surface microlayer was found at 50 microm below the sea-air interface. These physical and chemical properties included tens of physical and chemical parameters, such as concentrations of organic matter, nutrients, and dissolved trace metals, biochemical oxygen demand, chemical oxygen demand chlorophyll-a, surface tensions, and pH. Therefore, it was suggested that the layer of sudden change of physical and chemical properties in surface seawater should serve as a basis for defining the sea surface microlayer should, and be regarded as the practical operational thickness of the sea surface microlayer. The apparent sampling thickness of the sea surface microlayer from surface seawater should be 50+/-10 microm.

  9. Highly sensitive sensing of zinc(II) by development and characterization of a PVC-based fluorescent chemical sensor

    Science.gov (United States)

    Aksuner, Nur; Henden, Emur; Yenigul, Berrin; Yilmaz, Ibrahim; Cukurovali, Alaaddin

    2011-03-01

    A sensor membrane with excellent performance based on 1-methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane has been developed for the determination of zinc(II) ions. The sensing membrane is capable of determining zinc(II) with an outstanding high selectivity over a dynamic range between 8.0 × 10 -8 and 1.6 × 10 -4 mol L -1 with a limit of detection of 2.5 × 10 -8 mol L -1 (1.6 μg L -1). It can be easily and completely regenerated by using 0.1 mol L -1 EDTA solution. The optical sensor developed here was found to be stable, cost effective, easy to prepare, and has unique selectivity towards Zn 2+ ion with respect to common metal ions. The proposed sensor was then applied for the determination of zinc in tap water and hair samples with satisfactory results.

  10. Cobalt(II Coordination Compounds of Ethyl 4-Methyl-5-Imidazolecarboxylate: Chemical and Biochemical Characterization on Photosynthesis and Seed Germination

    Directory of Open Access Journals (Sweden)

    Beatriz King-Díaz

    2005-01-01

    chloroplasts. Seed germination and seedling growth of the monocotyledonous species Lolium multiflorum and Triticum aestivum and the dicotyledonous species Trifolium alexandrinum and Physalis ixocarpa were also assayed under the effect of the compounds and salts. The results showed that cobalt(II salts and their emizco coordination compounds inhibit photosynthetic electron flow and ATP-synthesis, behaving as Hill reaction inhibitors. Coordination compounds are more potent inhibitors than the salts. It was found that the salts target is at the b6f level while the complexes targets are at QB(D1-protein and b6f level. The QB inhibition site was confirmed by variable chlorophyll a fluorescence yield. On the other hand, emizco inhibits seed germination, root and shoot development, in both weed and crop species. Cobalt(II coordination compounds are the most effective photosynthesis inhibitors, but they are less potent than emizco in germination and seedling growth, while the metal salts are the least active of all.

  11. Partial chemical characterization of antigenic preparations of chromoblastomycosis agents Caracterização química parcial de preparações antigênicas de agentes da cromoblastomicose

    Directory of Open Access Journals (Sweden)

    Tania Fraga BARROS

    1999-11-01

    Full Text Available Antigenic preparations (saline, methylic, metabolic and exoantigens of four agents of chromoblastomycosis, Fonsecaea pedrosoi, Phialophora verrucosa, Cladophialophora (Cladosporium carrionii and Rhinocladiella aquaspersa were obtained. Partial chemical characterization of these antigenic preparations was obtained by determination of the levels of total lipids, protein, and carbohydrates, and identification of the main sterols and carbohydrates. Methylic antigens presented the highest lipid contents, whereas metabolic antigens showed the highest carbohydrate content. Total lipid, protein, and carbohydrate levels were in the range of 2.33 to 2.00mg/ml, 0.04 to 0.02 mg/ml and 0.10 to 0.02 mg/ml, respectively, in the methylic antigens and in the range of 0.53 to 0.18mg/ml, 0.44 to 0.26mg/ml, and 1.82 to 1.02 mg/ml, respectively, in saline antigens. Total lipid, protein, and carbohydrate contents were in the range of 0.55 to 0.20mg/ml, 0.69 to 0.57mg/ml and 10.73 to 5.93mg/ml, respectively, in the metabolic antigens, and in the range of 0.55 to 0.15mg/ml, 0.62 to 0.20mg/ml and 3.55 to 0.42mg/ml, respectively, in the exoantigens. Phospholipids were not detected in the preparations. Saline and metabolic antigens and exoantigens presented hexose and the methylic antigen revealed additional pentose units in their composition. The UV light absorption spectra of the sterols revealed squalene and an ergosterol fraction in the antigens. The characterization of these antigenic preparations may be useful for serological evaluation of patients of chromoblastomycosis.Preparações antigênicas (antígenos salinos, metílicos, metabólicos e exoantígenos de quatro agentes da cromoblastomicose, Fonsecaea pedrosoi, Phialophora verrucosa, Cladophialophora (Cladosporium carrionii e Rhinocladiella aquaspersa foram obtidos e foi determinada a caracterização química parcial dos mesmos. Os antígenos metílicos apresentaram os maiores teores de lípides enquanto os

  12. The Research of Profile Control Effect of New Chemical Profile Control Agent%新型化学调剖剂调剖效果研究

    Institute of Scientific and Technical Information of China (English)

    王威

    2011-01-01

    Since Sazhong oilfield has accessed the stage of high containing water,the distribution of subsoil water and oil are getting more and more complicated. On the effect of inherent formation heterogeneity and secondary heterogeneity caused by the development of many years, intrabed and intraformational contradiction prominent increasingly, it causes injection darting of high permeability zone and containing water raised speeds up. Producing condition of poor reservoir is bad, which makes waterflood efficiency, conformance factor and final recovery efficiency low,and the development effect is bad. The technology used in this text can solve the problem,this technology can provide a strong measure for excavating the remaining oil in high water-cut stage and raising the development effect. But the initial viscosity of shallow profile modification is high, the proportion entering purpose layer is relatively low, these cause the effective radius of profile control small, and term of validity is about one year, so some injection wells need to repeat shallow profile modification, connected oil well can not produce the desired result in a long period, and it influents and restricts the effect of shallow profile modification. So the main reasons affecting the term of validity of adjusting profile and solve it are need to research. New chemical shallow profile control agent is used to optimize laboratory experiments, and triturate the profile control agent that has low initial viscosity and assorted injection technology. It makes response stage up to two years, integral development effect gains improvement obviously.%萨中油田进入高含水期开发以来,地下油水分布状况日趋复杂,受地层固有的非均质性及多年开发造成次生非均质性加剧的影响,油层的层间、层内矛盾日渐突出,造成高渗透部位注水突进,油井含水上升加快.差油层动用状况较差,导致油田水驱效率和波及系数较低,最终采收率低,开发

  13. Type II Cepheids in the Milky Way disc. Chemical composition of two new W Vir stars: DD Vel and HQ Car

    CERN Document Server

    Lemasle, B; Bono, G; François, P; Saviane, I; Yegorova, I; Genovali, K; Inno, L; Galazutdinov, G; da Silva, R

    2015-01-01

    A robust classification of Cepheids into their different sub-classes and, in particular, between classical and Type II Cepheids, is necessary to properly calibrate the period-luminosity relations and for populations studies in the Galactic disc. Type II Cepheids are, however, very diverse, and classifications based either on intrinsic (period, light curve) or external parameters (e.g., [Fe/H], |z|) do not provide a unique classification. We want to ascertain the classification of two Cepheids, HQ Car and DD Vel, that are sometimes classified as classical Cepheids and sometimes as Type II Cepheids. To achieve this goal, we examine both their chemical composition and the presence of specific features in their spectra. We find emission features in the H{\\alpha} and in the 5875.64 {\\AA} He I lines that are typical of W Vir stars. The [Na/Fe] (or [Na/Zn]) abundances are typical of thick-disc stars, while BL Her stars are Na-overabundant ([Na/Fe]>+0.5 dex). Finally, the two Cepheids show a possible (HQ Car) or prob...

  14. The effect of chemical information on the spatial distribution of fruit flies: II parameterization, calibration, and sensitivity

    NARCIS (Netherlands)

    Gee, de M.; Lof, M.E.; Hemerik, L.

    2008-01-01

    In a companion paper (Lof et al., in Bull. Math. Biol., 2008), we describe a spatio-temporal model for insect behavior. This model includes chemical information for finding resources and conspecifics. As a model species, we used Drosophila melanogaster, because its behavior is documented comparative

  15. Chemical Products in the Home, Workshop and Garden. Proceed with Caution; Consumer Safety in the Home, II.

    Science.gov (United States)

    Saskatchewan Consumer and Commercial Affairs, Regina.

    The average home has chemical products to clean floors, kill insects, clean ovens, thin paint, remove grease, and perform countless other chores. Many consumers remain unaware of the dangers these products bring into the home. This booklet provides information on the safe use, storage, and disposal of these products. The compounds found in…

  16. The critical review of methodologies and approaches to assess the inherent skin sensitization potential (skin allergies) of chemicals. Part II

    DEFF Research Database (Denmark)

    Thyssen, Jacob P; Giménez-Arnau, Elena; Lepoittevin, Jean-Pierre

    2012-01-01

    To identify specific cases, classes or specific use situations of chemicals for which 'safety thresholds' or 'safety limits' were set (in regulations, standards, in scientific research/clinical work, etc.) and critically review the scientific and methodological parameters used to set those limits....

  17. Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Vinicius M. [Laboratory of Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goiás, Goiânia, GO 74605-220 (Brazil); Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599 (United States); Muratov, Eugene [Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599 (United States); Laboratory of Theoretical Chemistry, A.V. Bogatsky Physical–Chemical Institute NAS of Ukraine, Odessa 65080 (Ukraine); Fourches, Denis [Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599 (United States); Strickland, Judy; Kleinstreuer, Nicole [ILS/Contractor supporting the NTP Interagency Center for the Evaluation of Alternative Toxicological Methods (NICEATM), P.O. Box 13501, Research Triangle Park, NC 27709 (United States); Andrade, Carolina H. [Laboratory of Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goiás, Goiânia, GO 74605-220 (Brazil); Tropsha, Alexander, E-mail: alex_tropsha@unc.edu [Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599 (United States)

    2015-04-15

    Skin permeability is widely considered to be mechanistically implicated in chemically-induced skin sensitization. Although many chemicals have been identified as skin sensitizers, there have been very few reports analyzing the relationships between molecular structure and skin permeability of sensitizers and non-sensitizers. The goals of this study were to: (i) compile, curate, and integrate the largest publicly available dataset of chemicals studied for their skin permeability; (ii) develop and rigorously validate QSAR models to predict skin permeability; and (iii) explore the complex relationships between skin sensitization and skin permeability. Based on the largest publicly available dataset compiled in this study, we found no overall correlation between skin permeability and skin sensitization. In addition, cross-species correlation coefficient between human and rodent permeability data was found to be as low as R{sup 2} = 0.44. Human skin permeability models based on the random forest method have been developed and validated using OECD-compliant QSAR modeling workflow. Their external accuracy was high (Q{sup 2}{sub ext} = 0.73 for 63% of external compounds inside the applicability domain). The extended analysis using both experimentally-measured and QSAR-imputed data still confirmed the absence of any overall concordance between skin permeability and skin sensitization. This observation suggests that chemical modifications that affect skin permeability should not be presumed a priori to modulate the sensitization potential of chemicals. The models reported herein as well as those developed in the companion paper on skin sensitization suggest that it may be possible to rationally design compounds with the desired high skin permeability but low sensitization potential. - Highlights: • It was compiled the largest publicly-available skin permeability dataset. • Predictive QSAR models were developed for skin permeability. • No concordance between skin

  18. Physico-chemical and biological studies of Cu(II, Co(II and Ni(II complexes of an N4 coordinating ligand derived from diacetylbisethylenediamine and benzoic acid

    Directory of Open Access Journals (Sweden)

    Singh Pal Netra

    2012-01-01

    Full Text Available Mononuclear metal complexes of the type [ML1]Cl2 (where, M = = Cu(II, Co(II or Ni(II and L1 = ligand were synthesized by the reaction of a new N4 coordinating ligand, derived from diacetylbisethylenediamine with benzoic acid, and the corresponding hydrated metal chloride salts. The metal complexes were characterized by elemental analysis, melting point determination, molar conductance and magnetic moment measurements, IR, UV-Vis, 1H- and 13C-NMR, and ESR spectroscopy. The ligand and all the metal complexes were stable in the solid state at room temperature. From the analytical and spectroscopic investigations, the stoichiometry of the complexes was found to be 1:1 (metal:ligand. Based on the electronic spectra and magnetic moment data, the metal complexes had a square planar geometry. The molar conductance values show the 1:2 electrolytic nature of the metal complexes. A cyclic voltammetric study of the Cu(II metal complex has also performed, which showed one electron quasi-reversible reduction around -0.92 to -1.10 V. In vitro biological activities of the ligand and metal complexes was checked against two bacteria Bacillus subtilis and Escherichia coli and two fungi Aspirgillus niger and A. flavus which showed the antibacterial and antifungal properties of the ligand and its metal complexes.

  19. Novel indolizino[8,7-b]indole hybrids as anti-small cell lung cancer agents: Regioselective modulation of topoisomerase II inhibitory and DNA crosslinking activities.

    Science.gov (United States)

    Chang, Sue-Ming; Christian, Wilson; Wu, Ming-Hsi; Chen, Tai-Lin; Lin, Yi-Wen; Suen, Ching-Shu; Pidugu, Hima Bindu; Detroja, Dilip; Shah, Anamik; Hwang, Ming-Jing; Su, Tsann-Long; Lee, Te-Chang

    2017-02-15

    A novel series of bis(hydroxymethyl)indolizino[8,7-b]indole hybrids composed of β-carboline (topoisomerase I/II inhibition) and bis(hydroxymethyl)pyrrole (DNA cross-linking) are synthesized for antitumor evaluation. Of tumor cell lines tested, small cell lung cancer (SCLC) cell lines are the most sensitive to the newly synthesized compounds. These hybrids induce cell cycle arrest at the G2/M phase, trigger tumor cell apoptotic death, and display diverse mechanisms of action involving topoisomerase II (Topo II) inhibition and induction of DNA cross-linking. Intriguingly, the substituent at N(11) (H or Me) plays a critical role in modulating Topo II inhibition and DNA cross-linking activities. N(11)-Me derivatives predispose to induce DNA crosslinks, whereas N(11)-H derivatives potently inhibit Topo II. Computational analysis implicates that N(11)-Me restrict the torsion angles of the two adjacent OH on pyrrole resulting in a favorable of DNA cross-linking. Among these hybrids, compound 17a with N(11)-H is more effective than cisplatin and etoposide, but as potent as irinotecan, against the growth of SCLC H526 cells in xenograft model.

  20. Flavonoid inhibitors as novel antimycobacterial agents targeting Rv0636, a putative dehydratase enzyme involved in Mycobacterium tuberculosis fatty acid synthase II.

    Science.gov (United States)

    Brown, Alistair K; Papaemmanouil, Athina; Bhowruth, Veemal; Bhatt, Apoorva; Dover, Lynn G; Besra, Gurdyal S

    2007-10-01

    Flavonoids comprise a large group of bioactive polyphenolic plant secondary metabolites. Several of these possess potent in vivo activity against Escherichia coli and Plasmodium falciparum, targeting enzymes involved in fatty acid biosynthesis, such as enoyl-ACP-reductase, beta-ketoacyl-ACP reductase and beta-hydroxyacyl-ACP dehydratase. Herein, we report that butein, isoliquirtigenin, 2,2',4'-trihydroxychalcone and fisetin inhibit the growth of Mycobacterium bovis BCG. Furthermore, in vitro inhibition of the mycolic-acid-producing fatty acid synthase II (FAS-II) of Mycobacterium smegmatis suggests a mode of action related to those observed in E. coli and P. falciparum. Through a bioinformatic approach, we have established the product of Rv0636 as a candidate for the unknown mycobacterial dehydratase, and its overexpression in M. bovis BCG conferred resistance to growth inhibition by butein and isoliquirtigenin, and relieved inhibition of fatty acid and mycolic acid biosynthesis in vivo. Furthermore, after overexpression of Rv0636 in M. smegmatis, FAS-II was less sensitive to these inhibitors in vitro. Overall, the data suggest that these flavonoids are inhibitors of mycobacterial FAS-II and in particular Rv0636, which represents a strong candidate for the beta-hydroxyacyl-ACP dehydratase enzyme of M. tuberculosis FAS-II.

  1. Kinetic measurements and quantum chemical calculations on low spin Ni(II)/(III) macrocyclic complexes in aqueous and sulphato medium

    Indian Academy of Sciences (India)

    Anuradha Sankaran; E J Padma Malar; Venkatapuram Ramanujam Vijayaraghavan

    2015-07-01

    Cu(II) ion catalyzed kinetics of oxidation of H2O2 by [NiIIIL2] (L2 = 1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) was studied in aqueous acidic medium in the presence of sulphate ion. The rate of oxidation of H2O2 by [NiIIIL2] is faster than that by [NiIIIL1] (L1 = 1,4,8,11-tetraazacyclote-tradecane) in sulphate medium. DFT calculations at BP86/def2-TZVP level lead to different modes of bonding between [NiL]II/III and water ligands (L = L1 and L2). In aqueous medium, two water molecules interact with [NiL]II through weak hydrogen bonds with L and are tilted by ∼23° from the vertical axis forming the dihydrate [NiL]2+.2H2O. However, there is coordinate bond formation between [NiL1]III and two water molecules in aqueous medium and an aqua and a sulphato ligand in sulphate medium leading to the octahedral complexes [NiL1(H2O)2]3+ and [NiL1(SO4)(H2O)]+. In the analogous [NiL2]III, the water molecules are bound by hydrogen bonds resulting in [NiL2]3+.2H2O and [NiL2(SO4)]+.H2O. As the sulphato complex [NiL2(SO4)]+.H2O is less stable than [NiL1(SO4)(H2O)]+ in view of the weak H-bonding interactions in the former it can react faster. Thus the difference in the mode of bonding between Ni(III) and the water ligand can explain the rate of oxidation of H2O2 by [NiIIIL] complexes.

  2. A Review of Class I and Class II Pet Food Recalls Involving Chemical Contaminants from 1996 to 2008

    OpenAIRE

    2010-01-01

    Commercial pet food in USA is generally safe, but adulteration does occur. Adulterated food has to be recalled to protect pets and public health. All stakeholders, including food firms, distributors, and government agencies such as the Food and Drug Administration (FDA) participate in food recall. The objective of this review is to describe the pet food recall procedure from start to finish, and to review class I and II pet food recalls from 1996 to 2008, with a specific focus on those due to...

  3. Intrinsic dependence of the magnetic properties of CoFe{sub 2}O{sub 4} nanoparticles prepared via chemical methods with addition of chelating agents

    Energy Technology Data Exchange (ETDEWEB)

    Mendonça, E.C. [Núcleo de Pós-Graduação em Física, Campus Prof. José Aluísio de Campos, UFS, 49100-000 São Cristóvão, SE (Brazil); Tenório, Mayara A. [Departamento de Física, Campus Prof. Alberto Carvalho, UFS, 49500-000 Itabaiana, SE (Brazil); Mecena, S.G.; Zucolotto, B.; Silva, L.S. [Núcleo de Pós-Graduação em Física, Campus Prof. José Aluísio de Campos, UFS, 49100-000 São Cristóvão, SE (Brazil); Jesus, C.B.R. [Instituto de Física Gleb Wataghin, UNICAMP, C. P. 6165, 13083-970 Campinas, SP (Brazil); Meneses, C.T. [Núcleo de Pós-Graduação em Física, Campus Prof. José Aluísio de Campos, UFS, 49100-000 São Cristóvão, SE (Brazil); and others

    2015-12-01

    In this work, the effect of addition of different chelating agents on the magnetic properties of cobalt ferrite nanoparticles produced by the combining of both co-precipitation and hydrothermal methods is reported. The Rietveld analyses of X-ray diffraction patterns reveal that our samples are single phase (space group: Fd-3m) with small average sizes. The weight losses observed in the thermogravimetric measurements together with the M×H curves show that the organic contamination coming from chelating agent decomposition can give rise to misinterpretation of the magnetization measurements. Besides, analyses of the zero-field-cooled (ZFC) and field-cooled (FC) magnetization measurements and the M×H curves measured at room temperature allows us to state that both the average blocking temperature and particles size distribution are sensitive to the kind of chelating agent. - Highlights: Superparamagnetism. Chelating agents. Organic contamination.

  4. Radial metallicity gradients in spiral galaxies from H II regions and planetary nebulae: probing galactic chemical evolution

    Science.gov (United States)

    Stanghellini, Letizia

    2015-08-01

    Radial metallicity gradients, typically observed in spiral galaxies, are excellent constraints for chemical evolution models. The contemporary studies of the two stellar populations, whose progenitors have formed at different times, yield to the chemical and time constraining of the models. In this context, planetary nebula and HII region analysis proved to be ideal two-epochs test populations. We present an assortment of galaxies whose oxygen abundances have been determined both with weak- and strong-line methods, and whose radial metallicity gradients and their evolution in time have disclosed very interesting correlations with the galaxy characteristics. New results from our Gemini/GMOS observations, and a review of the best literature data, set the stage for a better understanding of spiral galaxy evolution.

  5. Multidimensional Chemical Modeling of Young Stellar Objects. II. Irradiated Outflow Walls in a High-Mass Star-Forming Region

    Science.gov (United States)

    Bruderer, S.; Benz, A. O.; Doty, S. D.; van Dishoeck, E. F.; Bourke, T. L.

    2009-07-01

    Observations of the high-mass star-forming region AFGL 2591 reveal a large abundance of CO+, a molecule known to be enhanced by far-ultraviolet (FUV) and X-ray irradiation. In chemical models assuming a spherically symmetric envelope, the volume of gas irradiated by protostellar FUV radiation is very small due to the high extinction by dust. The abundance of CO+ is thus underpredicted by orders of magnitude. In a more realistic model, FUV photons can escape through an outflow region and irradiate gas at the border to the envelope. Thus, we introduce the first two-dimensional axisymmetric chemical model of the envelope of a high-mass star-forming region to explain the CO+ observations as a prototypical FUV tracer. The model assumes an axisymmetric power-law density structure with a cavity due to the outflow. The local FUV flux is calculated by a Monte Carlo radiative transfer code taking scattering on dust into account. A grid of precalculated chemical abundances, introduced in the first part of this series of papers, is used to quickly interpolate chemical abundances. This approach allows us to calculate the temperature structure of the FUV-heated outflow walls self-consistently with the chemistry. Synthetic maps of the line flux are calculated using a raytracer code. Single-dish and interferometric observations are simulated and the model results are compared to published and new JCMT and Submillimeter Array (SMA) observations. The two-dimensional model of AFGL 2591 is able to reproduce the JCMT single-dish observations and also explains the nondetection by the SMA. We conclude that the observed CO+ line flux and its narrow width can be interpreted by emission from the warm and dense outflow walls irradiated by protostellar FUV radiation.

  6. Systematic reduction of complex tropospheric chemical mechanisms, Part II: Lumping using a time-scale based approach

    Directory of Open Access Journals (Sweden)

    L. E. Whitehouse

    2004-01-01

    Full Text Available This paper presents a formal method of species lumping that can be applied automatically to intermediate compounds within detailed and complex tropospheric chemical reaction schemes. The method is based on grouping species with reference to their chemical lifetimes and reactivity structures. A method for determining the forward and reverse transformations between individual and lumped compounds is developed. Preliminary application to the Leeds Master Chemical Mechanism (MCMv2.0 has led to the removal of 734 species and 1777 reactions from the scheme, with minimal degradation of accuracy across a wide range of test trajectories relevant to polluted tropospheric conditions. The lumped groups are seen to relate to groups of peroxy acyl nitrates, nitrates, carbonates, oxepins, substituted phenols, oxeacids and peracids with similar lifetimes and reaction rates with OH. In combination with other reduction techniques, such as sensitivity analysis and the application of the quasi-steady state approximation (QSSA, a reduced mechanism has been developed that contains 35% of the number of species and 40% of the number of reactions compared to the full mechanism. This has led to a speed up of a factor of 8 in terms of computer calculation time within box model simulations.

  7. Surface-active agents from the group of polyoxyethylated glycerol esters of fatty acids. Part III. Surface activity and solubilizing properties of the products of oxyethylation of lard (Adeps suillus, F.P. VIII) in the equilibrium system in relation to lipophilic therapeutic agents (class II and III of BCS).

    Science.gov (United States)

    Nachajski, Michał J; Piotrowska, Jowita B; Kołodziejczyk, Michał K; Lukosek, Marek; Zgoda, Marian M

    2013-01-01

    Research was conducted into the solubilization processes of diclofenac, ibuprofen, ketoprofen and naproxen in equilibrium conditions in the environment of aqueous solutions of oxyethylated lard's fractions (Adeps suillus, Polish Pharmacopoeia VIII). The determined thermodynamic (cmc, deltaGm(0)) and hydrodynamic (R0, R(obs), omega, M(eta)) parameters characterizing the micelle of the solubilizer and the adduct demonstrate that lipophilic therapeutic agents are adsorbed in a palisade structure of the micelle due to a topologically created so-called "lipophilic adsorption pocket". This shows that the hydrophilicity of the micelle and the adsorption layer decreases at the phase boundary, which is confirmed by the calculated values of coefficients A(m) and r x (a). The results obtained indicate the possibility of making use of the class of non-ionic surfactants which are not ksenobiotics for the modification of the profile of solid oral dosage forms with lipophilic therapeutic agents from the II class of Biopharmaceutics Classification System (BCS).

  8. Physico-chemical characterization and anti- microbial activity of copper(II complexes with 2-amino and 2-methylbenzimidazole derivatives

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2004-01-01

    Full Text Available Copper(II chloride, in warm ethanolic solution, reacted with 2-amino and 2-methylbenzimidazole derivatives to give complexes of the formula CuL2Cl2·nH2O, where L=1-benzyl-2-aminobenzimidazole 1-(4-methylbenzyl-2-aminobenzimidazole, 1-benzyl-2-methylbenzimidazole and 1-(4-methylbenzyl-2-methylbenzimidazole( n=1 or 2. The complexes were characterized by elemental analysis of the metal, molar conductivity magnetic susceptibility measurements and IR spectra. The molar conductivities of copper(IIcomplexes in dimethyl formamide (DMF corresponding to a 1:1 type of electrolyte indicate that in all the complexes one of the coordinated chloride ions has been replaced by DMF molecule. The room temperature effective magnetic moments and IR data of the complexes suggest that all Cu(II complexes have a tetrahedral configuration, which is realized by participation of the pyridine nitrogen of two organic ligand molecules and two chloride anions. The antimicrobial activity of the ligands and their complexes against Pseudomonas aeruginosa, Bacillus sp. Staphylococcus aureus, Sarcina lutea and Saccharomyces cerevisiae was investigated. The effect of copper complexation on the ligand antimicrobial activity is discussed.

  9. Chemical Speciation of the System Cu(II-Indomethacin in Ethanol and Water by UV-Vis Spectrophotometry

    Directory of Open Access Journals (Sweden)

    Norma Rodríguez-Laguna

    2016-01-01

    Full Text Available It has been proposed that the metal-drug complexes could be in fact the active agents displaying therapeutic effects of drugs. The characterization of the global formation equilibrium of complexes formed between metal ions and species with biological activity such as nonsteroidal anti-inflammatory drugs provides essential information to understand the mechanism of action of drugs. Since equilibrium constants determine the relative predominance of species, they provide crucial information to identify what complexes are more likely to be present in the system being responsible for the therapeutic effects of the drug. In this paper, the systems formed between copper and Indomethacin of different concentrations in ethanol or water were studied by UV-Vis spectrophotometry. The stoichiometry of the complexes Cu(II–Indomethacin and their formation constants were investigated. Moreover, molecular structures of the Cu(II–Indomethacin complexes were explored by means of the molecular modeling within the frame of the density functional theory.

  10. DNA-interaction and in vitro antimicrobial studies of some mixed-ligand complexes of cobalt(II) with fluoroquinolone antibacterial agent ciprofloxacin and some neutral bidentate ligands.

    Science.gov (United States)

    Patel, M N; Chhasatia, M R; Gandhi, D S

    2009-05-15

    Six new mixed-ligand complexes of Co(II) with ciprofloxacin (Cip) and neutral bidentate ligands have been synthesized and characterized. Binding and cleavage of DNA with the complex were investigated using spectroscopic method, viscosity measurements and gel electrophoresis techniques. Antibacterial activity has been assayed against two Gram((-ve)) and three Gram((+ve)) microorganisms using the doubling dilution technique.

  11. Partial Paschen-Back splitting of Si II and Si III lines in magnetic chemically peculiar stars

    Science.gov (United States)

    Khalack, V.; Landstreet, J. D.

    2012-11-01

    Modelling of the spectra of magnetic A and B main-sequence stars is generally done assuming that all the lines are split by the magnetic field according to the Zeeman effect. However, a number of prominent spectral lines are produced by closely spaced doublets or triplets. Such lines should be treated using the theory of the partial Paschen-Back (PPB) effect. Depending on the strength and orientation of magnetic field, the PPB effect can result in the Stokes I and V profiles of a spectral line that differ significantly from those predicted by the Zeeman effect theory. It is important to understand the size and types of errors that are introduced into magnetic spectrum synthesis by treating such lines with the usual Zeeman splitting theory rather than using the correct theoretical treatment of line splitting. To estimate the error introduced by the use of the Zeeman approximation, numerical simulations have been performed for spectral lines of the element silicon, for which a number of important lines are actually in the PPB regime, assuming an oblique rotator model, for various silicon abundances and V sin i values. A comparative analysis of the Stokes I and V profiles calculated assuming the PPB and Zeeman splitting has been carried out for a number of both strong and weak Si II and Si III lines. The analysis indicates that for high precision studies of some spectral lines the PPB approach should be used if the field strength at the magnetic poles is Bp > 10 kG. In the case of the Si II line 5041 Å, the difference between the two simulated profiles is caused by a significant contribution from a so-called 'ghost' line. The Stokes I and V profiles of this particular line simulated taking into account PPB splitting provide a significantly better fit to the observed profiles in the spectrum of the magnetic Ap star HD 318107 than the profiles calculated with Zeeman splitting. Employing the PPB approach, the Si II 5041 Å line can become a useful tool for abundance

  12. Aminopropyl-modified mesoporous silica SBA-15 as recovery agents of Cu(II)-sulfate solutions: Adsorption efficiency, functional stability and reusability aspects

    Energy Technology Data Exchange (ETDEWEB)

    Lombardo, M.V. [Gerencia Quimica, Centro Atomico Constituyentes, CNEA, Av. General Paz 1499 (B1650KNA), San Martin, Buenos Aires (Argentina); Videla, M. [Rhein Chemie Argentina, Luis Maria Drago 1555 - (B1852LGS) Burzaco, Buenos Aires (Argentina); Calvo, A.; Requejo, F.G. [INIFTA-CONICET, Universidad Nacional de La Plata, CC 16 Sucursal 4 (1900), La Plata (Argentina); Soler-Illia, G.J.A.A., E-mail: gsoler@cnea.gov.ar [Gerencia Quimica, Centro Atomico Constituyentes, CNEA, Av. General Paz 1499 (B1650KNA), San Martin, Buenos Aires (Argentina); DQIAyQF, FCEN, Universidad de Buenos Aires, Ciudad Universitaria, Pab. II (C1428EHA), Buenos Aires (Argentina)

    2012-07-15

    Highlights: Black-Right-Pointing-Pointer We produce mesoporous amino-silica as Cu(II) adsorbent (1.15-1.75 mmol Cu(II) g{sup -1}). Black-Right-Pointing-Pointer Elemental analysis and XPS demonstrate that amino groups concentrate at the material surface. Black-Right-Pointing-Pointer The integrity of the adsorbent through the adsorption, desorption and recycling processes is assessed. Black-Right-Pointing-Pointer These materials can be regenerated by exposure to acidic media. Black-Right-Pointing-Pointer A careful thermal processing of the material is central to better durability during reprocessing. - Abstract: Hybrid mesoporous materials are potentially useful for metal ion scavenging and retrieval because of their high surface areas, controlled accessibility and tailored functionalization. Some aspects that are linked to the performance of HMM include pore accessibility, stability of the organic functions and reusability. Knowledge of these aspects is critical in the design of adsorption-desorption protocols. In this work we produce and characterize propylamino-substituted large pore silica (SBA-15-N), which is submitted to Cu(II) adsorption from copper sulfate solutions, followed by desorption in acid media and material regeneration. We find that the hybrid material is an efficient adsorbent (1.15-1.75 mmol Cu(II) g{sup -1}), although a fraction of the organic groups is lost during the adsorption process. An X-ray photoelectron spectroscopy (XPS) study demonstrates that the contents of amino groups are higher in the material surface, leading to different behaviors in Cu(II) complexation along the material. These materials can be regenerated by exposure to acidic media. Thermal processing of the hybrid materials leads to better durability in aqueous solutions during reprocessing, due to enhanced polycondensation of the inorganic framework. Thermally treated samples, once regenerated, are efficient adsorbents in a second step of Cu(II) adsorption. We discuss the

  13. Caracterização por FT-IR de agentes de cura utilizados em resinas epoxídicas-II-polimercaptana, poliaminoamida e amina modificada Characterization by FT-IR of curing agents used in epoxy resins

    Directory of Open Access Journals (Sweden)

    Benedita M. V. Romão

    2003-07-01

    Full Text Available Amostras de resina epoxídica (EP curadas com compostos à base depolimercaptana (SH, SH na presença de poliamino amida, e amina modificada, constituindo, respectivamente, os sistemas epoxídicos (SE 1, 2 e 3, foram preparadas segundo condições estabelecidas pelas curvas de calorimetria exploratória diferencial (DSC de EP e agentes de cura, ou endurecedores (AC e analisadas, antes e após preparação do SE, por espectroscopia no infravermelho com transformada de Fourier (FT-IR por meio de técnicas de transmissão (pastilha de KBr, pirólise por bico de Bunsen, e pirólisecontrolada (CONTROLPIR/FT-IR dentro da faixa de temperatura fornecida pela análise termogravimétrica (TG dos SE 1, 2 e 3, para a caracterização de cada AC. Para tal fim, as absorções FT-IR do pirolisado líquido obtido pela metodologia CONTROLPIR/FT-IR foram avaliadas, em comparação ao espectro do AC de referência. A caracterização dos agentes de cura foi feita com a técnica TG/FT-IR do gás liberado de cada SE, em comparação ao espectro de referência do produto de degradação do respectivo AC.Samples of epoxy resin (EP cured with polymercaptans (SH, SH in presence of polyamine amide, and polyamine modified compounds , respectively, SE 1,2 and 3, were prepared according to established conditions by DSC analysis of EP and curing agent (AC or hardeners, and analyzed by FT-IR transmission techniques (KBr pellets, uncontroled pyrolysis and controled pyrolysis-FT-IR (CONTROLPIR/FT-IR, in the temperature range found from TG analysis of SE 1,2 and 3, for characterizing the AC. The FT-IR absorptions of liquid pyrolysate obtained by CONTROLPIR/FT-IR were evaluated, in comparison to reference spectrum of AC The characterization of hardeners was also possible by the analysis of each SE with TG/FT-IR technique, in comparison to the reference spectrum of degradation product for each AC used.

  14. Computer programming for nucleic acid studies. II. Total chemical shifts calculation of all protons of double-stranded helices.

    Science.gov (United States)

    Giessner-Prettre, C; Ribas Prado, F; Pullman, B; Kan, L; Kast, J R; Ts'o, P O

    1981-01-01

    A FORTRAN computer program called SHIFTS is described. Through SHIFTS, one can calculate the NMR chemical shifts of the proton resonances of single and double-stranded nucleic acids of known sequences and of predetermined conformations. The program can handle RNA and DNA for an arbitrary sequence of a set of 4 out of the 6 base types A,U,G,C,I and T. Data files for the geometrical parameters are available for A-, A'-, B-, D- and S-conformations. The positions of all the atoms are calculated using a modified version of the SEQ program [1]. Then, based on this defined geometry three chemical shift effects exerted by the atoms of the neighboring nucleotides on the protons of each monomeric unit are calculated separately: the ring current shielding effect: the local atomic magnetic susceptibility effect (including both diamagnetic and paramagnetic terms); and the polarization or electric field effect. Results of the program are compared with experimental results for a gamma (ApApGpCpUpU) 2 helical duplex and with calculated results on this same helix based on model building of A'-form and B-form and on graphical procedure for evaluating the ring current effects.

  15. Preparation of an antitumor and antivirus agent: chemical modification of α-MMC and MAP30 from Momordica Charantia L. with covalent conjugation of polyethyelene glycol

    Directory of Open Access Journals (Sweden)

    Meng Y

    2012-06-01

    virus-1. Furthermore, both PEGylated proteins showed about 60%–70% antitumor and antivirus activities, and at the same time decreased 50%–70% immunogenicity when compared with their unmodified counterparts.Conclusion/significance: α-MMC and MAP30 obtained from this novel purification strategy can meet the requirement of a large amount of samples for research. Their chemical modification can solve the problem of strong immunogenicity and meanwhile preserve moderate activities. All these findings suggest the potential application of PEGylated α-MMC and PEGylated MAP30 as antitumor and antivirus agents. According to these results, PEGylated RIPs can be constructed with nanomaterials to be a targeting drug that can further decrease immunogenicity and side effects. Through nanotechnology we can make them low-release drugs, which can further prolong their half-life period in the human body.Keywords: ribosome-inactivating proteins, alpha-momorcharin, momordica anti-HIV protein, antitumor, antivirus, (mPEG2-Lys-NHS (20 kDa, immunogenicity

  16. West Hackberry Strategic Petroleum Reserve site brine-disposal monitoring, Year I report. Volume II. Physical and chemical oceanography. Final report

    Energy Technology Data Exchange (ETDEWEB)

    DeRouen, L.R.; Hann, R.W.; Casserly, D.M.; Giammona, C.; Lascara, V.J. (eds.)

    1983-02-01

    This project centers around the Strategic Petroleum Site (SPR) known as the West Hackberry salt dome which is located in southwestern Louisiana, and which is designed to store 241 million barrels of crude oil. Oil storage caverns are formed by injecting water into salt deposits, and pumping out the resulting brine. Studies described in this report were designed as follow-on studies to three months of pre-discharge characterization work, and include data collected during the first year of brine leaching operations. The objectives were to: (1) characterize the environment in terms of physical, chemical and biological attributes; (2) determine if significant adverse changes in ecosystem productivity and stability of the biological community are occurring as a result of brine discharge; and (3) determine the magnitude of any change observed. Contents of Volume II include: introduction; physical oceanography; estuarine hydrology and hydrography; analysis of discharge plume; and water and sediment quality.

  17. Oxocentered Cu(II) lead selenite honeycomb lattices hosting Cu(I)Cl2 groups obtained by chemical vapor transport reactions.

    Science.gov (United States)

    Kovrugin, Vadim M; Colmont, Marie; Siidra, Oleg I; Mentré, Olivier; Al-Shuray, Alexander; Gurzhiy, Vladislav V; Krivovichev, Sergey V

    2015-06-11

    Chemical vapor transport (CVT) reactions were used to prepare three modular mixed-valent Cu(I)-Cu(II) compounds, (Pb2Cu(2+)9O4)(SeO3)4(Cu(+)Cl(2))Cl5 (1), (PbCu(2+)5O2)(SeO3)2(Cu(+)Cl2)Cl3 (2), and (Pb(x)Cu(2+)(6-x)O2)(SeO3)2(Cu(+)Cl2)K(1-x)Cl(4-x) (x = 0.20) (3). In their crystal structures chains of anion-centered (OCu(2+)4) and (OCu(2+)3Pb) tetrahedra form honeycomb-like double layers with cavities occupied by linear [Cu(+)Cl2](-) groups.

  18. Physical and chemical variations within the W3 star-forming region. II. The 345 GHz spectral line survey.

    Science.gov (United States)

    Helmich, F. P.; van Dishoeck, E. F.

    1997-08-01

    Results are presented of the 345 GHz spectral survey toward three sources in the W3 Giant Molecular Cloud: W3 IRS4, W3 IRS5 and W3(H_2O). Nearly 90% of the atmospheric window between 334 and 365 GHz has been scanned using the James Clerk Maxwell Telescope down to a noise level of ~80 mK per resolution element. These observations are complemented by a large amount of data in the 230 GHz atmospheric window. From this data set physical conditions and beam-averaged column densities are derived for more than 14 chemically different species (over 24 different isotopes). The physical parameters derived in Paper I (\\cite[Helmich et al. 1994]{ref36}) are confirmed by the analysis of the excitation of other species, although there is evidence that the silicon- and sulfur-bearing molecules exist in a somewhat denser and warmer environment. The densities are high, >= 10^6 cm^{-3}, in the three sources and the kinetic temperatures for the bulk of the gas range from 55 K for IRS4 to 220 K for W3(H_2O). The chemical differences between the three sources are very striking: silicon- and sulfur-bearing molecules such as SiO and SO_2 are prominent toward IRS5, whereas organic molecules like CH_3OH, CH_3OCH_3 and CH_3OCHO are at least an order of magnitude more abundant toward W3(H_2O). Vibrationally excited molecules are also detected toward this source. Only simple molecules are found toward IRS4. The data provide constraints on the amount of deuterium fractionation and the ionization fraction in the observed regions as well. These chemical characteristics are discussed in the context of an evolutionary sequence, in which IRS5 is the youngest, W3(H_2O) somewhat older and IRS4, although still enigmatic, the oldest. The James Clerk Maxwell Telescope is operated by the The Joint Astronomy Centre on behalf of the Particle Physics and Astronomy Research Council of the United Kingdom, the Netherlands Organisation for Scientific Research, and the National Research Council of Canada

  19. Evolution of an alumina-magnesia/self-forming spinel castable. Part II: physico-chemical and mechanical properties

    Directory of Open Access Journals (Sweden)

    Gutiérrez-Campos D.

    1999-01-01

    Full Text Available This study was carried out in conjunction with the investigation, reported in Part I, on the microstructural characteristics of an alumina-spinel castable with several percentages of MgO content. Bulk density and cold crushing strength of samples were evaluated dried and at three fired states (1000, 1200, 1400 °C. Results indicate little influence of MgO additions on physico-chemical properties of the alumina-magnesia/self-forming spinel castable. Characteristics compared with those reported for conventional alumina-spinel castables did not show large difference in values. Therefore, the alumina-magnesia/self-forming spinel castable could be a possible material for substitution of the conventional alumina-spinel castable.

  20. Insight into the gas-phase structure of a copper(II) L-histidine complex, the agent used to treat Menkes disease.

    Science.gov (United States)

    Ziegler, Blake E; Marta, Richard A; Burt, Michael B; McMahon, Terry B

    2014-03-03

    Copper(II) L-histidine is used in the treatment of a rare neurological disease called Menkes disease. An infrared multiple photon dissociation (IRMPD) vibrational spectrum of the gas-phase copper(II) L-histidine complex has been obtained. This spectrum was compared to lowest-energy computational spectra obtained at the B3LYP/6-311+G** level of theory. Two species, CuHis1 and CuHis2, are very close in Gibbs free energy, and both have computed vibrational spectra in good agreement with the experimentally observed IRMPD spectrum. The first structure exhibits four histidine-copper interactions in the same plane and a fifth out-of-plane interaction. The second structure exhibits four histidine-copper interactions in the same plane. The fact that the experimental and computational spectra are found to be in good agreement adds considerable insight into the gas-phase structure of the copper(II) L-histidine complex.

  1. Trapping of muscle relaxant methocarbamol degradation product by complexation with copper(II) ion: Spectroscopic and quantum chemical studies

    Science.gov (United States)

    Mansour, Ahmed M.; Shehab, Ola R.

    2014-07-01

    Structural properties of methocarbamol (Mcm) were extensively studied both experimentally and theoretically using FT IR, 1H NMR, UV-Vis., geometry optimization, Mulliken charge, and molecular electrostatic potential. Stability arises from hyper-conjugative interactions, charge delocalization and H-bonding was analyzed using natural bond orbital (NBO) analysis. Mcm was decomposed in ethanol/water mixture at 80 °C to guaifenesin [(RS)-3-(2-methoxyphenoxy)propane-1,2-diol] and carbamate ion [NH2COO-], where the degradation mechanism was explained by trapping the carbamate ion via the complexation with copper(II) ion. The structure of the isolated complex ([Cu(NH2COO)2(H2O)]ṡ4H2O) was elucidated by spectral, thermal, and magnetic tools. Electronic spectra were discussed by TD-DFT and the descriptions of frontier molecular orbitals and the relocations of the electron density were determined. Calculated g-tensor values showed best agreement with experimental values from EPR when carried out using both the B3LYP and B3PW91 functional.

  2. Synthesis, characterization, and antioxidant/cytotoxic activity of new chromone Schiff base nano-complexes of Zn(II), Cu(II), Ni(II) and Co(II)

    Science.gov (United States)

    Saif, M.; El-Shafiy, Hoda F.; Mashaly, Mahmoud M.; Eid, Mohamed F.; Nabeel, A. I.; Fouad, R.

    2016-08-01

    A chromone Schiff base complexes of Zn(II) (1), Cu(II) (2), Ni(II) (3) and Co(II) (4) were successfully prepared in nano domain with crystalline or amorphous structures. The spectroscopic data revealed that the Schiff base ligand behaves as a monoanionic tridentate ligand. The metal complexes exhibited octahedral geometry. Transmission electron microscope (TEM) analysis showed that Cu(II) complex have aggregated nanospheres morphology. The obtained nano-complexes were tested as antioxidant and antitumor agents. The H2L and its Cu(II) complex (2) were found to be more potent antioxidant (IC50(H2L) = 0.93 μM; IC50(Cu(II) complex) = 1.1 μM than standard ascorbic acid (IC50 = 2.1 μM) as evaluated by DPPH• method. The H2L and its complexes (1-4) were tested for their in vitro cytotoxicity against Ehrlich Ascites Carcinoma cell line (EAC). The Cu(II) nano-complex (2) effectively inhibited EAC growth with IC50 value of 47 μM in comparison with its parent compound and other prepared complexes. The high antioxidant activity and antitumor activity of Cu(II) nano-complex (2) were attributed to their chemical structure, Cu(II) reducing capacity, and nanosize property. The toxicity test on mice showed that Zn(II) (1) and Cu(II) (2) nano-complex have lower toxicity than the standard cis-platin.

  3. A randomized phase II trial of azacitidine +/− epoetin-β in lower-risk myelodysplastic syndromes resistant to erythropoietic stimulating agents

    Science.gov (United States)

    Thépot, Sylvain; Ben Abdelali, Raouf; Chevret, Sylvie; Renneville, Aline; Beyne-Rauzy, Odile; Prébet, Thomas; Park, Sophie; Stamatoullas, Aspasia; Guerci-Bresler, Agnes; Cheze, Stéphane; Tertian, Gérard; Choufi, Bachra; Legros, Laurence; Bastié, Jean Noel; Delaunay, Jacques; Chaury, Marie Pierre; Sanhes, Laurence; Wattel, Eric; Dreyfus, Francois; Vey, Norbert; Chermat, Fatiha; Preudhomme, Claude; Fenaux, Pierre; Gardin, Claude

    2016-01-01

    The efficacy of azacitidine in patients with anemia and with lower-risk myelodysplastic syndromes, if relapsing after or resistant to erythropoietic stimulating agents, and the benefit of combining these agents to azacitidine in this setting are not well known. We prospectively compared the outcomes of patients, all of them having the characteristics of this subset of lower-risk myelodysplastic syndrome, if randomly treated with azacitidine alone or azacitidine combined with epoetin-β. High-resolution cytogenetics and gene mutation analysis were performed at entry. The primary study endpoint was the achievement of red blood cell transfusion independence after six cycles. Ninety-eight patients were randomised (49 in each arm). Median age was 72 years. In an intention to treat analysis, transfusion independence was obtained after 6 cycles in 16.3% versus 14.3% of patients in the azacitidine and azacitidine plus epoetin-β arms, respectively (P=1.00). Overall erythroid response rate (minor and major responses according to IWG 2000 criteria) was 34.7% vs. 24.5% in the azacitidine and azacitidine plus epoetin-β arms, respectively (P=0.38). Mutations of the SF3B1 gene were the only ones associated with a significant erythroid response, 29/59 (49%) versus 6/27 (22%) in SF3B1 mutated and unmutated patients, respectively, P=0.02. Detection of at least one “epigenetic mutation” and of an abnormal single nucleotide polymorphism array profile were the only factors associated with significantly poorer overall survival by multivariate analysis. The transfusion independence rate observed with azacitidine in this lower-risk population, but resistant to erythropoietic stimulating agents, was lower than expected, with no observed benefit of added epoetin, (clinicaltrials.gov identifier: 01015352). PMID:27229713

  4. The chemical reactivity of BNP7787 and its metabolite mesna with the cytostatic agent cisplatin: comparison with the nucleophiles thiosulfate, DDTC, glutathione and its disulfide GSSG.

    NARCIS (Netherlands)

    Verschraagen, M.; Kedde, MA; Hausheer, FH; Vijgh, van der W.J.F.

    2003-01-01

    PURPOSE: BNP7787 is a new chemoprotective agent presently under clinical investigation to protect against cisplatin-induced toxicities, especially nephrotoxicity and neurotoxicity. In the kidneys BNP7787 is postulated to undergo selective conversion into mesna, which can locally detoxify cisplatin.

  5. Competing intermolecular interactions of artemisinin-type agents and aspirin with membrane phospholipids: Combined model mass spectrometry and quantum-chemical study

    Energy Technology Data Exchange (ETDEWEB)

    Pashynska, Vlada, E-mail: vlada@vl.kharkov.ua [B.Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, Lenin Ave., 47, 61103 Kharkov (Ukraine); Stepanian, Stepan [B.Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, Lenin Ave., 47, 61103 Kharkov (Ukraine); Gömöry, Agnes; Vekey, Karoly [Institute of Organic Chemistry of Research Centre for Natural Sciences of the Hungarian Academy of Sciences, Magyar tudosok korutja, 2, Budapest H-1117 (Hungary); Adamowicz, Ludwik [University of Arizona, Department of Chemistry and Biochemistry, Tucson, AZ 85721 (United States)

    2015-07-09

    Highlights: • Competitive binding of artemisinin agents and aspirin with phospholipids is shown. • Complexation between the antimalarial drugs and aspirin molecules is also found. • Energetically favorable structures of the model complexes are identified by DFT. • Membranotropic activity of the studied drugs can be modified under joint usage. - Abstract: Study of intermolecular interactions of antimalarial artemisinin-type drugs and aspirin with membrane phospholipids is important in term of elucidation of the drugs activity modification under their joint usage. Combined experimental and computational study of the interaction of dihydroartemisinin, α-artemether, and artesunate with aspirin (ASP) and dipalmitoylphosphatidylcholine (DPPC) is performed by electrospray ionization (ESI) mass spectrometry and by DFT B3LYP/aug-cc-pVDZ methods. The results of the ESI investigation of systems containing artemisinin-type agent, ASP and DPPC, reveal a competition between the antimalarial agents and ASP for binding with DPPC molecules. The complexation between the antimalarial drugs and ASP is also found. Observed phenomena suggest that membranotropic activity of artemisin-type agents and aspirin is modified under their combined usage. To elucidate structure-energy characteristics of the non-covalent complexes studied the model DFT calculations are performed for dihydroartemisinin · ASP complex and complexes of the each drug with phosphatidylcholine head of DPPC in neutral and cationized forms.

  6. Ion release from a composite resin after exposure to different 10% carbamide peroxide bleaching agents

    Directory of Open Access Journals (Sweden)

    Renata Plá Rizzolo Bueno

    2012-06-01

    Full Text Available OBJECTIVE: This in vitro study evaluated the influence of two 10% carbamide peroxide bleaching agents - a commercial product (Opalescence PF; Ultradent Products, Inc. and a bleaching agent prepared in a compounding pharmacy - on the chemical degradation of a light-activated composite resin by determining its release of ions before and after exposure to the agents. MATERIAL AND METHODS: Thirty composite resin (Filtek Z250; 3M/ESPE samples were divided into three groups: group I (exposed to Opalescence PF commercial bleaching agent, group II (exposed to a compounded bleaching agent and group III (control - Milli-Q water. After 14 days of exposure, with a protocol of 8 h of daily exposure to the bleaching agents and 16 h of immersion in Milli-Q water, the analysis of ion release was carried out using a HP 8453 spectrophotometer. The values were analyzed statistically by ANOVA, Tukey's test and the paired t-tests. The significance level was set at 5%. RESULTS: After 14 days of the experiment, statistically significant difference was found between group II and groups I and III, with greater ion release from the composite resin in group II. CONCLUSIONS: The compounded bleaching agent had a more aggressive effect on the composite resin after 14 days of exposure than the commercial product and the control (no bleaching.

  7. Origin of central abundances in the hot intra-cluster medium - II. Chemical enrichment and supernova yield models

    CERN Document Server

    Mernier, François; Pinto, Ciro; Kaastra, Jelle S; Kosec, Peter; Zhang, Yu-Ying; Mao, Junjie; Werner, Norbert; Pols, Onno R; Vink, Jacco

    2016-01-01

    The hot intra-cluster medium (ICM) is rich in metals, which are synthesised by supernovae (SNe) and accumulate over time into the deep gravitational potential well of clusters of galaxies. Since most of the elements visible in X-rays are formed by type Ia (SNIa) and/or core-collapse (SNcc) supernovae, measuring their abundances gives us direct information on the nucleosynthesis products of billions of SNe since the epoch of the star formation peak (z~2-3). In this study, we compare the most accurate average X/Fe abundance ratios (compiled in a previous work from XMM-Newton EPIC and RGS observations of 44 galaxy clusters, groups, and ellipticals), representative of the chemical enrichment in the nearby ICM, to various SNIa and SNcc nucleosynthesis models found in the literature. The use of a SNcc model combined to any favoured standard SNIa model (deflagration or delayed-detonation) fails to reproduce our abundance pattern. In particular, the Ca/Fe and Ni/Fe ratios are significantly underestimated by the model...

  8. Crystallization of copper(II) sulfate based minerals and MOF from solution: Chemical insights into the supramolecular interactions

    Indian Academy of Sciences (India)

    M Singh; D Kumar; J Thomas; A Ramanan

    2010-09-01

    Crystallization of solids, molecular or non-molecular from solution is a supramolecular reaction. Nucleation of a lattice structure at supersaturation can be conceived to result from a critical nucleus, a high energy intermediate (supramolecular transition state). Conceptualization of a structure for the critical nucleus in terms of aggregation of tectons through non-covalent interactions provides chemical insights into the architecture of a solid. The retrosynthetic analysis of copper-based minerals and materials offers an elegant description for the crystal packing. It addresses the influence of the geometry, functionality and reactivity of copper tecton(s) in directing a specific supramolecular aggregation. The mechanistic approach provides guiding principles to chemists to account for the experimentally crystallized solids and a platform to practice structure-synthesis correlation. Rationalization of the same composition with different atomic arrangements (polymorphs), compositional variation leading to different pseudopolymorphs, degree of hydration (anhydrous to hydrated), water clusters, role of solvent, etc. can all be justified on molecular basis. Also, the method gives predictive components including directions to synthesize new solids. In a nutshell, the paper is an attempt to generalize the crystallization of inorganic solids from solution by recognizing supramolecular interactions between metal tectons and gain insights for designing new MOF.

  9. Metal based pharmacologically active agents: Synthesis, structural characterization, molecular modeling, CT-DNA binding studies and in vitro antimicrobial screening of iron(II) bromosalicylidene amino acid chelates

    Science.gov (United States)

    Abdel-Rahman, Laila H.; El-Khatib, Rafat M.; Nassr, Lobna A. E.; Abu-Dief, Ahmed M.; Ismael, Mohamed; Seleem, Amin Abdou

    2014-01-01

    In recent years, great interest has been focused on Fe(II) Schiff base amino acid complexes as cytotoxic and antitumor drugs. Thus a series of new iron(II) complexes based on Schiff bases amino acids ligands have been designed and synthesized from condensation of 5-bromosalicylaldehyde (bs) and α-amino acids (L-alanine (ala), L-phenylalanine (phala), L-aspartic acid (aspa), L-histidine (his) and L-arginine (arg)). The structure of the investigated iron(II) complexes was elucidated using elemental analyses, infrared, ultraviolet-visible, thermogravimetric analysis, as well as conductivity and magnetic susceptibility measurements. Moreover, the stoichiometry and the stability constants of the prepared complexes have been determined spectrophotometrically. The results suggest that 5-bromosalicylaldehyde amino acid Schiff bases (bs:aa) behave as dibasic tridentate ONO ligands and coordinate to Fe(II) in octahedral geometry according to the general formula [Fe(bs:aa)2]ṡnH2O. The conductivity values between 37 and 64 ohm-1 mol-1 cm2 in ethanol imply the presence of nonelectrolyte species. The structure of the complexes was validated using quantum mechanics calculations based on accurate DFT methods. Geometry optimization of the Fe-Schiff base amino acid complexes showed that all complexes had octahedral coordination. In addition, the interaction of these complexes with (CT-DNA) was investigated at pH = 7.2, by using UV-vis absorption, viscosity and agarose gel electrophoresis measurements. Results indicated that the investigated complexes strongly bind to calf thymus DNA via intercalative mode and showed a different DNA binding according to the sequence: bsari > bshi > bsali > bsasi > bsphali. Moreover, the prepared compounds are screened for their in vitro antibacterial and antifungal activity against three types of bacteria, Escherichia coli, Pseudomonas aeruginosa and Bacillus cereus and three types of anti fungal cultures, Penicillium purpurogenium, Aspergillus

  10. Salicylic acid analogues as chemical exchange saturation transfer MRI contrast agents for the assessment of brain perfusion territory and blood-brain barrier opening after intra-arterial infusion.

    Science.gov (United States)

    Song, Xiaolei; Walczak, Piotr; He, Xiaowei; Yang, Xing; Pearl, Monica; Bulte, Jeff Wm; Pomper, Martin G; McMahon, Michael T; Janowski, Mirosław

    2016-07-01

    The blood-brain barrier (BBB) is a major obstacle for drug delivery to the brain. Predicted, focal opening of the BBB through intra-arterial infusion of hyperosmolar mannitol is feasible, but there is a need to facilitate imaging techniques (e.g. MRI) to guide interventional procedures and assess the outcomes. Here, we show that salicylic acid analogues (SAA) can depict the brain territory supplied by the catheter and detect the BBB opening, through chemical exchange saturation transfer (CEST) MRI. Hyperosmolar SAA solutions themselves are also capable of opening the BBB, and, when multiple SAA agents were co-injected, their locoregional perfusion could be differentiated.

  11. Novel copper-based therapeutic agent for anti-inflammatory: synthesis, characterization, and biochemical activities of copper(II) complexes of hydroxyflavone Schiff bases.

    Science.gov (United States)

    Joseph, J; Nagashri, K

    2012-07-01

    Four hydroxyflavone derivatives have been synthesized with the aim of obtaining a good model of superoxide dismutase. Better to mimic the natural metalloenzyme, copper complexes have been designed. The Cu(II) complexes of general formulae, [CuL] where L = 5-hydroxyflavone-o-phenylenediamine (L¹H₂)/m-phenylenediamine (L²H₂) and 3-hydroxyflavone-o-phenylenediamine (L³H₂)/m-phenylenediamine (L⁴H₂) have been synthesized. The structural features have been determined from their analytical and spectral data. All the Cu(II) complexes exhibit square planar geometry. Redox behavior of copper complexes was studied and the present ligand systems stabilize the unusual oxidation state of the copper ion during electrolysis. The in vitro antimicrobial activities of the investigated compounds were tested against the bacterial species Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Proteus vulgaris, and Pseudomonas aeruginosa and fungal species Aspergillus niger, Rhizopus stolonifer, Aspergillus flavus, Rhizoctonia bataicola, and Candida albicans. Superoxide dismutase and anti-inflammatory activities of the copper complexes have also been measured and discussed.

  12. Cyclometalated Palladium(II) N-Heterocyclic Carbene Complexes: Anticancer Agents for Potent In Vitro Cytotoxicity and In Vivo Tumor Growth Suppression.

    Science.gov (United States)

    Fong, Tommy Tsz-Him; Lok, Chun-Nam; Chung, Clive Yik-Sham; Fung, Yi-Man Eva; Chow, Pui-Keong; Wan, Pui-Ki; Che, Chi-Ming

    2016-09-19

    Palladium(II) complexes are generally reactive toward substitution/reduction, and their biological applications are seldom explored. A new series of palladium(II) N-heterocyclic carbene (NHC) complexes that are stable in the presence of biological thiols are reported. A representative complex, [Pd(C^N^N)(N,N'-nBu2 NHC)](CF3 SO3 ) (Pd1 d, HC^N^N=6-phenyl-2,2'-bipyridine, N,N'-nBu2 NHC=N,N'-di-n-butylimidazolylidene), displays potent killing activity toward cancer cell lines (IC50 =0.09-0.5 μm) but is less cytotoxic toward a normal human fibroblast cell line (CCD-19Lu, IC50 =11.8 μm). In vivo anticancer studies revealed that Pd1 d significantly inhibited tumor growth in a nude mice model. Proteomics data and in vitro biochemical assays reveal that Pd1 d exerts anticancer effects, including inhibition of an epidermal growth factor receptor pathway, induction of mitochondrial dysfunction, and antiangiogenic activity to endothelial cells.

  13. Synthesis and characterization of mononuclear copper(II) complexes of pyridine 2-carboxamide: Their application as catalyst in peroxidative oxidation and antimicrobial agents

    Indian Academy of Sciences (India)

    Suvendu Samanta; Shounak Ray; Sutapa Joardar; Supriya Dutta

    2015-08-01

    Four water soluble copper(II) complexes, [Cu(HL)2 (H2O)2]Cl2 (1), [Cu(HL) 2 (ClO4)2 ] (2), [Cu(HL)2 (SCN)2] (3) and [CuL 2 ]·8H 2 O (4), where HL is pyridine 2–carboxamide, have been synthesized and characterized by various spectroscopic techniques. Structures have been determined by single crystal X-ray crystallography. The pH induced inter-conversion of Cu(HL)2 (H2O)2 ]Cl2 (1) and [CuL2]·8H2O (4) through co-ordination mode switching was investigated thoroughly with the help of absorption spectroscopy. Complexes 1–3 were found to be active catalysts for the oxidation of toluene, ethyl benzene and cyclohexane in the presence of hydrogen peroxide as the oxidant under mild conditions. Toluene was oxidized to benzyl alcohol and benzaldehyde, ethyl benzene was oxidized to 1-phenylethanol and acetophenone and cyclohexane was oxidized to yield cyclohexanol and cyclohexanone Antimicrobial activities have been investigated with these copper(II) complexes against gram + ve bacteria, gram − ve bacterial and fungal species.

  14. Sperm shape abnormalities induced by energy-related hydrocarbons and industrial chemicals. Progress report, January 1-June 30, 1979. [Methods of screening for toxic agents

    Energy Technology Data Exchange (ETDEWEB)

    Wyrobek, A.J.

    1979-07-23

    Using existing and new biological screening and testing systems, the presence of carcinogenic, mutagenic, teratogenic and physiologic or metabolically toxic agents associated with coal and oil shale extraction, conversion or utilization was identified. The purpose of the study is to further develop and apply the detection of morphologically abnormal mammalian sperm as a rapid, simple, quantitative assay of the pathologic response of the male gonad to toxic agents associated with the recovery, process stream, and emission of nonnuclear sources of energy, with primary attention to substances from in situ coal gasification and in situ oil-shale extraction. Changes in mouse sperm head dimensions following low dose x-ray exposure have been compiled and analyzed.

  15. 基于多Agent的危险化学品安全生产信息采集系统设计%Design of information collection system of hazardous chemical work-safety based on multi-agent

    Institute of Scientific and Technical Information of China (English)

    刘婕; 周铝; 王江

    2012-01-01

    Work-safety monitoring is a critical governmental responsibility, which directly affects human safety as well as protects capital assets. In this regard, hazardous chemical monitoring is of paramount importance. A well-developed safety monitoring information system has been proven to be a feasible solution to this problem, which can lower the amount of required work while increase the effectiveness of the monitoring process. A distributed agent information-collection model was established, which composed by management agent, collection agent, diagnosis a-gent and communication agent. The system was used to connect industrial enterprises located in Bureau of work safety supervision center through to the Hazardous Chemical Information Center at the Enterprise, so as to monitor the work safety of their manufacturing processes. A system based on multi-agent was applied to of production state parameters for hazard sources. The function and structure of all types of agent were designed. The system was used to data acquisition, monitoring and analysis on the state parameters in production of hazardous chemical , which lo-cated in different industrial enterprises, so as to predict or diagnose abnormal conditions in the manufacturing process. Thereby, through the cooperation and parallel solution, the problem of information-collection for hazardous chemicals work safety can be solved.%安全生产监管是政府的重要职责,直接关系到国家财产和人民生命安全.安全生产监管中,以危险化学品的监管为重中之重.提高安全生产监管的信息化程度是降低监管强度、提高监管效率行之有效的方法.构建了由管理Agent、采集Agent、故障诊断Agent、通信Agent组成的分布式信息采集多Agent系统,将安监局监管中心对危险化学品生产过程监管的信息采集任务下移到企业端,利用多Agent系统实现危险源生产状态参数的采集、监控及分析;设计了该信息采集系统各

  16. Development and Application of Chemical Consolidation Plugging Agent HDL 1%高强度耐高温化学固结堵漏剂HDL1的研制及应用

    Institute of Scientific and Technical Information of China (English)

    詹俊阳; 刘四海; 刘金华; 张凤英; 陈曾伟

    2014-01-01

    In order to effectively seal fractured thief zone ,and avoid poor plugging effect caused by par-ticle size match error ,chemical consolidation plugging agent HDL 1 has been developed with features of high strength and high temperature resistance .In view of shortcomings of conventional consolidation plug-ging agents such as poor resistance to high temperature and low density adjustability ,the authors selected positron bonding material ,chemical coagulant ,reology control material ,triggering material and density modifiers after extensive laboratory tests on retention ability ,consolidation time ,strength and density ,de-termined the optimal proportion of these materials ,and developed the chemical consolidation plugging agent HDL 1 .The plugging agent HDL 1 had advantages such as adjustable thickening time(4 12 h) ,adjustable density(1.3 1.9 g/cm3 ) ,and high pressure bearing capacity (48 h strength>17 MPa) .The chemical con-solidation plugging agent has been successfully applied to improve the formation bearing capacity by 8.2 M Pa for Well SX2 Permian fractured thief zone in Tahe Oilfield ,resulting in satisfactory drilling results . The chemical consolidation plugging agent HDL 1 could effectively seal fractured thief zone ,which provid-ed technical support for the sealing of Permian igneous leakage zones .%为有效封堵裂缝性漏失层,避免由颗粒材料粒径级配误差造成的堵漏效果差的问题,研制了高强度耐高温化学固结堵漏剂。针对常用固结类堵漏材料耐温性差、密度不易调整的缺点,从滞留能力、固结时间、强度、密度等方面入手,通过优选正电黏结剂、化学凝固剂、流变性调控剂、引发剂和密度调节剂,并确定合理的比例关系,研制出化学固结堵漏剂HDL 1。用HDL 1配制的化学固结堵漏浆具有稠化时间可调(4~12 h)、密度可调(1.3~1.9 g/cm3)、承压能力较强(48 h强度可达17 M Pa以上)的特点。

  17. Modification of carbon screen-printed electrodes by adsorption of chemically synthesized Bi nanoparticles for the voltammetric stripping detection of Zn(II), Cd(II) and Pb(II).

    Science.gov (United States)

    Rico, Ma Angeles Granado; Olivares-Marín, Mara; Gil, Eduardo Pinilla

    2009-12-15

    A simple procedure for the chemical synthesis of bismuth nanoparticles and subsequent adsorption on commercial screen-printed carbon electrodes offer reliable quantitation of trace zinc, cadmium and lead by anodic stripping square-wave voltammetry in nondeareated water samples. The influence of two hydrodynamic configurations (convective cell and flow cell) and the effect of various experimental variables upon the stripping signals at the bismuth-coated sensor are explored. The square-wave peak current signal is linear over the low ng mL(-1) range (120 s deposition), with detections limits ranging from 0.9 to 4.9 ng mL(-1) and good precision. Applicability to waste water certified reference material and drinking water samples is demonstrated. The attractive behaviour of the new disposable Bi nanoparticles modified carbon strip electrodes, coupled with the negligible toxicity of bismuth, hold great promise for decentralized heavy metal testing in environmental and industrial effluents waters.

  18. Origin of central abundances in the hot intra-cluster medium. II. Chemical enrichment and supernova yield models

    Science.gov (United States)

    Mernier, F.; de Plaa, J.; Pinto, C.; Kaastra, J. S.; Kosec, P.; Zhang, Y.-Y.; Mao, J.; Werner, N.; Pols, O. R.; Vink, J.

    2016-11-01

    The hot intra-cluster medium (ICM) is rich in metals, which are synthesised by supernovae (SNe) and accumulate over time into the deep gravitational potential well of clusters of galaxies. Since most of the elements visible in X-rays are formed by type Ia (SNIa) and/or core-collapse (SNcc) supernovae, measuring their abundances gives us direct information on the nucleosynthesis products of billions of SNe since the epoch of the star formation peak (z 2-3). In this study, we compare the most accurate average X/Fe abundance ratios (compiled in a previous work from XMM-Newton EPIC and RGS observations of 44 galaxy clusters, groups, and ellipticals), representative of the chemical enrichment in the nearby ICM, to various SNIa and SNcc nucleosynthesis models found in the literature. The use of a SNcc model combined to any favoured standard SNIa model (deflagration or delayed-detonation) fails to reproduce our abundance pattern. In particular, the Ca/Fe and Ni/Fe ratios are significantly underestimated by the models. We show that the Ca/Fe ratio can be reproduced better, either by taking a SNIa delayed-detonation model that matches the observations of the Tycho supernova remnant, or by adding a contribution from the "Ca-rich gap transient" SNe, whose material should easily mix into the hot ICM. On the other hand, the Ni/Fe ratio can be reproduced better by assuming that both deflagration and delayed-detonation SNIa contribute in similar proportions to the ICM enrichment. In either case, the fraction of SNIa over the total number of SNe (SNIa+SNcc) contributing to the ICM enrichment ranges within 29-45%. This fraction is found to be systematically higher than the corresponding SNIa/(SNIa+SNcc) fraction contributing to the enrichment of the proto-solar environnement (15-25%). We also discuss and quantify two useful constraints on both SNIa (i.e. the initial metallicity on SNIa progenitors and the fraction of low-mass stars that result in SNIa) and SNcc (i.e. the effect of

  19. Recovery of EDTA from complex solution using Cu(II) as precipitant and Cu(II) subsequent removal by electrolysis.

    Science.gov (United States)

    Gyliene, O; Aikaite, J; Nivinskiene, O

    2004-12-10

    Ethylendiaminetetraacetate (EDTA) is a chelating agent widely used in industry and agriculture. Resistant to chemical and biological degradation EDTA represents a serious ecological problem. In order to avoid the outlet into the environment a new method of EDTA recycling has been proposed. The method involves substituting of the metal ions in EDTA complexes by Cu(II) and formation of an insoluble Cu2EDTA.4H2O compound at the excess of Cu(II) ions in weakly acidic solutions. Cu(II) ions substitute such metal ions as Ni(II), Zn(II), Co(II), Cd(II), Ca(II) and Mg(II). After treatment of the precipitate with water only, acidic or alkaline solutions the copper from the suspension formed can be removed by electrolysis. The highest current efficiency under galvanostatic conditions is in alkaline solutions, however, the highest yield of EDTA recovery is in acidic solutions. FT-IR investigations and chemical analysis of the precipitate formed have shown that in acidic and in alkaline solutions, H4EDTA and Na2H2EDTA.2H2O were formed, respectively. Electrolysis in acidic solutions gives the best results, i.e. the formed H4EDTA contains the highest amount of EDTA (95%) and the lowest amount of copper (0.01%).

  20. Synthesis and characterization of mixed-ligand diimine-piperonal thiosemicarbazone complexes of ruthenium(II): Biophysical investigations and biological evaluation as anticancer and antibacterial agents.

    Science.gov (United States)

    Beckford, Floyd A; Thessing, Jeffrey; Shaloski, Michael; Mbarushimana, P Canisius; Brock, Alyssa; Didion, Jacob; Woods, Jason; Gonzalez-Sarrías, Antonio; Seeram, Navindra P

    2011-04-19

    We have used a novel microwave-assisted method developed in our laboratories to synthesize a series of ruthenium-thiosemicarbazone complexes. The new thiosemicarbazone ligands are derived from benzo[d][1,3]dioxole-5-carbaldehyde (piperonal) and the complexes are formulated as [(diimine)(2)Ru(TSC)](PF(6))(2) (where the TSC is the bidentate thiosemicarbazone ligand). The diimine in the complexes is either 2,2'-bipyridine or 1,10-phenanthroline. The complexes have been characterized by spectroscopic means (NMR, IR and UV-Vis) as well as by elemental analysis. We have studied the biophysical characteristics of the complexes by investigating their anti-oxidant ability as well as their ability to disrupt the function of the human topoisomerase II enzyme. The complexes are moderately strong binders of DNA with binding constants of 10(4) M(-1). They are also strong binders of human serum albumin having binding constants on the order of 10(4) M(-1). The complexes show good in vitro anticancer activity against human colon cancer cells, Caco-2 and HCT-116 and indeed show some cytotoxic selectivity for cancer cells. The IC(50) values range from 7 - 159 μM (after 72 h drug incubation). They also have antibacterial activity against Gram-positive strains of pathogenic bacteria with IC(50) values as low as 10 μM; little activity was seen against Gram-negative strains. It has been established that all the compounds are catalytic inhibitors of human topoisomerase II.