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Theoretical Study of Sarin Adsorption On
Chemical Physics Letters 738 (2020) 136816 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Theoretical study of sarin adsorption on (12,0) boron nitride nanotube doped with silicon atoms T ⁎ ⁎ Jeziel Rodrigues dos Santosa, , Elson Longo da Silvab, Osmair Vital de Oliveirac, , José Divino dos Santosa a Universidade Estadual de Goiás, Campus Anápolis, CEP: 75.132-903 GO, Brazil b INCTMN, LIEC, Departamento de Química da Universidade Federal de São Carlos, CEP: 13.565-905 São Carlos, SP, Brazil c Instituto Federal de Educação, Ciência e Tecnologia de São Paulo, Campus Catanduva, CEP: 15.808-305 Catanduva, SP, Brazil HIGHLIGHTS • DFT method was used to study the adsorption of nerve agent sarin by BNNT. • Electronic properties of pristine BNNT are improved by Si impurity atoms. • The adsorption of sarin by Si-doped BNNT is highest favorable than the pure BNNT. • Si-doped BNNT can be a new gas sensor for sarin gas detection and its derivatives. ARTICLE INFO ABSTRACT Keywords: Sarin gas is one of the most lethal nerve agent used in chemical warfare, which its detection is import to prevent Nerve agent sarin a chemical attack and to identify a contamination area. Herein, density functional theory was used to investigate Gas sensor the (12,0) boron nitride nanotube (BNNT) and Si–doped BNNT as possible candidates to sarin detection. The Si- Boron nitride nanotube atoms doped improve the electronic properties of nanotubes by altering the electrostatic potential, HOMO and DFT LUMO energies. Based in the adsorption energies and the conductivity increased to ~33 and 350%, respectively, for Si- and 2Si-BNNT imply that they can be used for sarin detection. -
Copyrighted Material
1 Historical Milieu 1.1 Organophosphorus Nerve Agents 2 1.2 Blister Agents 5 1.3 Sternutator Agents 11 1.4 Chemical Weapons Convention (CWC) 13 1.4.1 Schedule of Chemicals 14 1.4.2 Destruction of Chemical Weapons 14 References 16 COPYRIGHTED MATERIAL Analysis of Chemical Warfare Degradation Products, First Edition. Karolin K. Kroening, Renee N. Easter, Douglas D. Richardson, Stuart A. Willison and Joseph A. Caruso. © 2011 John Wiley & Sons, Ltd. Published 2011 by John Wiley & Sons, Ltd. 2 ANALYSIS OF CHEMICAL WARFARE DEGRADATION PRODUCTS 1.1 ORGANOPHOSPHORUS NERVE AGENTS Organophosphorus (OP) type compounds, that is, deriva- tives containing the P=O moiety, were first discovered in the 1800s when researchers were investigating useful applica- tions for insecticides/rodenticides. There are many derivatives of organophosphorus compounds, however, the OP deriva- tives that are typically known as ‘nerve agents’ were discov- ered accidentally in Germany in 1936 by a research team led by Dr. Gerhard Schrader at IG Farben [1–4]. Schrader had noticed the effects and lethality of these organophosphorus compounds towards insects and began developing a new class of insecticides. While working towards the goal of an improved insecticide, Schrader experimented with numerous phosphorus-containing compounds, leading to the discovery of the first nerve agent, Tabun (or GA) (Figure 1.1). The potency of these insecticides towards humans was not realized until there was yet another accident, which involved a Tabun spill. Schrader and coworkers began experiencing symptoms, such as miosis (constriction of the pupils of the eyes), dizziness and severe shortness of breath, with numerous effects lasting several weeks [1, 4, 5]. -
Medicine with Deeper, More Biochemical Conception Of
Edinburgh Medical Journal May 1951 APPLICATIONS of chemical defence research IN MEDICINET? By Professor R. A. PETERS to be invited It is a great responsibility, as well as a great honour, to Cameron lecturers give this lecture ; and I expect that with other I this ancient seat of share a sense of awe upon standing here in is learning. For me it is an awe tinged with much feeling (it possible that this is partly because some forebears of my mother came from near to recent of the this ; it is in part due the perusal city) perhaps " address here Froude in on the Times of John Knox, given by 1865 " " entitled Influence of the Reformation upon the Scottish Character ; this address drives home to the Sassenach the sterner stuff of which all of us in the the Scots are made ; but I really think it is more that as south, even if we come as I do from a Medical School as ancient the Hospital of St Bartholomew, know full well that Edinburgh stands high indeed in the world of Medical Schools as Scotland itself stands in the world of intellect. Elsewhere I have discussed fully the historical background of our for me back researches upon Chemical Defence substances, which go to World War I.23 Again in my Dixon lecture,24 I have indicated some of the interest for pharmacology. The outlook for medicine has not the been reviewed so far. Therefore I propose to-day to discuss of British influence upon the future of therapeutics of the discovery anti-lewisite and of some of the other researches upon war gas but substances ; and to consider not only the leads towards therapy, the possible newer trends given to medicine itself. -
Description of the Chemical Weapons Convention (CWC) Schedule 1 Chemicals
LC Paper No. CB(1)1722/01-02(01) Description of the Chemical Weapons Convention (CWC) Schedule 1 Chemicals Item Name Nature of the Chemical Scope of Application Examples of Common Usage A Toxic chemicals (1) O-Alkyl (≤C10, incl. cycloalkyl) alkyl (Me, Nerve agent No industrial, medical, Not applicable (N.A.) Et, n-Pr or i-Pr) phosphonofluoridates, e.g. pharmaceutical or scientific Sarin and Soman. application has been reported. (2) O-Alkyl (≤C10, incl. cycloalkyl) N,N-dialkyl Nerve agent No industrial, medical, N.A. (Me, Et, n-Pr or i-Pr) - pharmaceutical or scientific phosphoramidocyanidate, e.g. Tabun. application has been reported. (3) O-Alkyl (H or ≤C10, incl. cycloalkyl) S- Nerve agent No industrial, medical, N.A. 2-dialkyl (Me, Et, n-Pr or i-Pr) pharmaceutical or scientific aminoethyl alkyl (Me, Et, n-Pr or application has been reported. i-Pr)- phosphonothiolates and corresponding alkylated or protonated salts e.g. VX. (4) Sulfur mustards : Vesicants No industrial, medical, N.A. pharmaceutical or scientific 2-Chloroethylchloromethylsulfide application has been reported. Bis(2-chloroethyl)sulfide Bis(2-chloroethylthio)methane 1,2-Bis(2-chloroethylthio)ethane 1,3-Bis(2-chloroethylthio)-n-propane 1,4-Bis(2-chloroethylthio)-n-butane 1,5-Bis(2-chloroethylthio)-n-pentane Bis(2-chloroethylthiomethyl)ether Bis(2-chloroethylthioethyl)ether Page 1 of 3 Item Name Nature of the Chemical Scope of Application Examples of Common Usage (5) Lewisites : Vesicants No industrial, medical, N.A. pharmaceutical or scientific Lewisite 1 : 2-Chlorovinyldichloroarsine application has been reported. Lewisite 2 : Bis(2-chlorovinyl)chloroarsine Lewisite 3 : Tris(2-chlorovinyl)arsine (6) Nitrogen mustards : Vesicants The chemical has medical Only HN2 has been reported to application. -
"The Science for Diplomats" Annex on Chemicals
ORGANISATION FOR THE PROHIBITION OF CHEMICAL WEAPONS "THE SCIENCE FOR DIPLOMATS" ANNEX ON CHEMICALS A user friendly and scientifically annotated version of the Chemical Weapons Convention Annex on Chemicals OPCW THE “SCIENCE FOR DIPLOMATS” ANNEX ON CHEMICALS A user friendly and scientifically annotated version of the Chemical Weapons Convention Annex on Chemicals1 CONTENTS A. GUIDELINES FOR SCHEDULES OF CHEMICALS B. VISUALISING AND READING MOLECULAR STRUCTURES C. SCHEDULES OF CHEMICALS D. RIOT CONTROL AGENTS 1 An official version of the Annex on Chemicals can be obtained from the OPCW public website, www.opcw.org/chemical-weapons-convention/annexes/annex-chemicals/annex-chemicals. Version 3.0 – 10 March 2019 A. GUIDELINES FOR SCHEDULES OF CHEMICALS Guidelines for Schedule 1 1. The following criteria shall be taken into account in considering whether a toxic chemical or precursor should be included in Schedule 1: (a) It has been developed, produced, stockpiled or used as a chemical weapon as defined in Article II; (b) It poses otherwise a high risk to the object and purpose of this Convention by virtue of its high potential for use in activities prohibited under this Convention because one or more of the following conditions are met: (i) It possesses a chemical structure closely related to that of other toxic chemicals listed in Schedule 1, and has, or can be expected to have, comparable properties; (ii) It possesses such lethal or incapacitating toxicity as well as other properties that would enable it to be used as a chemical weapon; (iii) It may be used as a precursor in the final single technological stage of production of a toxic chemical listed in Schedule 1, regardless of whether this stage takes place in facilities, in munitions or elsewhere; (c) It has little or no use for purposes not prohibited under this Convention. -
Nerve Agent - Lntellipedia Page 1 Of9 Doc ID : 6637155 (U) Nerve Agent
This document is made available through the declassification efforts and research of John Greenewald, Jr., creator of: The Black Vault The Black Vault is the largest online Freedom of Information Act (FOIA) document clearinghouse in the world. The research efforts here are responsible for the declassification of MILLIONS of pages released by the U.S. Government & Military. Discover the Truth at: http://www.theblackvault.com Nerve Agent - lntellipedia Page 1 of9 Doc ID : 6637155 (U) Nerve Agent UNCLASSIFIED From lntellipedia Nerve Agents (also known as nerve gases, though these chemicals are liquid at room temperature) are a class of phosphorus-containing organic chemicals (organophosphates) that disrupt the mechanism by which nerves transfer messages to organs. The disruption is caused by blocking acetylcholinesterase, an enzyme that normally relaxes the activity of acetylcholine, a neurotransmitter. ...--------- --- -·---- - --- -·-- --- --- Contents • 1 Overview • 2 Biological Effects • 2.1 Mechanism of Action • 2.2 Antidotes • 3 Classes • 3.1 G-Series • 3.2 V-Series • 3.3 Novichok Agents • 3.4 Insecticides • 4 History • 4.1 The Discovery ofNerve Agents • 4.2 The Nazi Mass Production ofTabun • 4.3 Nerve Agents in Nazi Germany • 4.4 The Secret Gets Out • 4.5 Since World War II • 4.6 Ocean Disposal of Chemical Weapons • 5 Popular Culture • 6 References and External Links --------------- ----·-- - Overview As chemical weapons, they are classified as weapons of mass destruction by the United Nations according to UN Resolution 687, and their production and stockpiling was outlawed by the Chemical Weapons Convention of 1993; the Chemical Weapons Convention officially took effect on April 291997. Poisoning by a nerve agent leads to contraction of pupils, profuse salivation, convulsions, involuntary urination and defecation, and eventual death by asphyxiation as control is lost over respiratory muscles. -
Decision-Making in Chemical Warfare Agent (CWA) Response There Is a Lot of Fear Associated with Chemical Will Act Accordingly
Application Note: 102 Decision-Making in Chemical Warfare Agent (CWA) Response There is a lot of fear associated with Chemical will act accordingly. If the first responders Warfare Agents (CWAs). The misnomer over-react and immediately jump into full “Nerve Gas” quickly brings horrible images to encapsulation protection it could panic the the minds of many civilians. But if we lay aside public and cause unnecessary worry and the politics and fear, CWA detection should even injury. treated like other gas/vapor detection challenges. It should be a collaborative Over Protection Can Be Dangerous process encompassing physical clues, threat to the Responder scenario, biological clues, and a variety of Heat stress is the number one injury in sensing technologies. No one clue or HazMat response and immediately jumping technology is always correct. Experience and into full Level A encapsulation is a good way the use of multiple clues and technologies are of overheating oneself. Level A the keys to successful CWA response. encapsulation also makes one much more Understanding what the clues are and how to susceptible to slip, trip and fall injuries. layer them to make a decision is critical to Finally, over protection makes it harder to get successful CWA response. things done. When properly used, detection allows responders to respond at lower levels Why is Gas Detection Important? of Personal Protective Equipment (PPE) to Responders cannot rely on their senses for provide the highest levels of safety to decision-making. Without effectively knowing themselves and to the community that they how to use detection techniques responders protect. -
Warning: the Following Lecture Contains Graphic Images
What the новичок (Novichok)? Why Chemical Warfare Agents Are More Relevant Than Ever Matt Sztajnkrycer, MD PHD Professor of Emergency Medicine, Mayo Clinic Medical Toxicologist, Minnesota Poison Control System Medical Director, RFD Chemical Assessment Team @NoobieMatt #ITLS2018 Disclosures In accordance with the Accreditation Council for Continuing Medical Education (ACCME) Standards, the American Nurses Credentialing Center’s Commission (ANCC) and the Commission on Accreditation for Pre-Hospital Continuing Education (CAPCE), states presenters must disclose the existence of significant financial interests in or relationships with manufacturers or commercial products that may have a direct interest in the subject matter of the presentation, and relationships with the commercial supporter of this CME activity. The presenter does not consider that it will influence their presentation. Dr. Sztajnkrycer does not have a significant financial relationship to report. Dr. Sztajnkrycer is on the Editorial Board of International Trauma Life Support. Specific CW Agents Classes of Chemical Agents: The Big 5 The “A” List Pulmonary Agents Phosgene Oxime, Chlorine Vesicants Mustard, Phosgene Blood Agents CN Nerve Agents G, V, Novel, T Incapacitating Agents Thinking Outside the Box - An Abbreviated List Ammonia Fluorine Chlorine Acrylonitrile Hydrogen Sulfide Phosphine Methyl Isocyanate Dibotane Hydrogen Selenide Allyl Alcohol Sulfur Dioxide TDI Acrolein Nitric Acid Arsine Hydrazine Compound 1080/1081 Nitrogen Dioxide Tetramine (TETS) Ethylene Oxide Chlorine Leaks Phosphine Chlorine Common Toxic Industrial Chemical (“TIC”). Why use it in war/terror? Chlorine Density of 3.21 g/L. Heavier than air (1.28 g/L) sinks. Concentrates in low-lying areas. Like basements and underground bunkers. Reacts with water: Hypochlorous acid (HClO) Hydrochloric acid (HCl). -
Section 2. Hazards Identification OSHA/HCS Status : This Material Is Considered Hazardous by the OSHA Hazard Communication Standard (29 CFR 1910.1200)
SAFETY DATA SHEET Nonflammable Gas Mixture: Arsine / Helium / Phosgene Section 1. Identification GHS product identifier : Nonflammable Gas Mixture: Arsine / Helium / Phosgene Other means of : Not available. identification Product use : Synthetic/Analytical chemistry. SDS # : 006605 Supplier's details : Airgas USA, LLC and its affiliates 259 North Radnor-Chester Road Suite 100 Radnor, PA 19087-5283 1-610-687-5253 24-hour telephone : 1-866-734-3438 Section 2. Hazards identification OSHA/HCS status : This material is considered hazardous by the OSHA Hazard Communication Standard (29 CFR 1910.1200). Classification of the : GASES UNDER PRESSURE - Compressed gas substance or mixture ACUTE TOXICITY (inhalation) - Category 4 GHS label elements Hazard pictograms : Signal word : Warning Hazard statements : Contains gas under pressure; may explode if heated. May displace oxygen and cause rapid suffocation. Harmful if inhaled. Precautionary statements General : Read and follow all Safety Data Sheets (SDS’S) before use. Read label before use. Keep out of reach of children. If medical advice is needed, have product container or label at hand. Close valve after each use and when empty. Use equipment rated for cylinder pressure. Do not open valve until connected to equipment prepared for use. Use a back flow preventative device in the piping. Use only equipment of compatible materials of construction. Prevention : Use only outdoors or in a well-ventilated area. Avoid breathing gas. Response : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER or physician if you feel unwell. Storage : Protect from sunlight when ambient temperature exceeds 52°C/125°F. Store in a well- ventilated place. -
A Toxicological Review of the Products of Combustion
HPA-CHaPD-004 A Toxicological Review of the Products of Combustion J C Wakefield ABSTRACT The Chemical Hazards and Poisons Division (CHaPD) is frequently required to advise on the health effects arising from incidents due to fires. The purpose of this review is to consider the toxicity of combustion products. Following smoke inhalation, toxicity may result either from thermal injury, or from the toxic effects of substances present. This review considers only the latter, and not thermal injury, and aims to identify generalisations which may be made regarding the toxicity of common products present in fire smoke, with respect to the combustion conditions (temperature, oxygen availability, etc.), focusing largely on the adverse health effects to humans following acute exposure to these chemicals in smoke. The prediction of toxic combustion products is a complex area and there is the potential for generation of a huge range of pyrolysis products depending on the nature of the fire and the conditions of burning. Although each fire will have individual characteristics and will ultimately need to be considered on a case by case basis there are commonalities, particularly with regard to the most important components relating to toxicity. © Health Protection Agency Approval: February 2010 Centre for Radiation, Chemical and Environmental Hazards Publication: February 2010 Chemical Hazards and Poisons Division £15.00 Chilton, Didcot, Oxfordshire OX11 0RQ ISBN 978-0-85951- 663-1 This report from HPA Chemical Hazards and Poisons Division reflects understanding and evaluation of the current scientific evidence as presented and referenced in this document. EXECUTIVE SUMMARY The Chemical Hazards and Poisons Division (CHaPD) is frequently required to advise on the health effects arising from incidents due to fires. -
Health Aspects of Biological and Chemical Weapons
[cover] WHO guidance SECOND EDITION WORLD HEALTH ORGANIZATION GENEVA DRAFT MAY 2003 [inside cover] PUBLIC HEALTH RESPONSE TO BIOLOGICAL AND CHEMICAL WEAPONS DRAFT MAY 2003 [Title page] WHO guidance SECOND EDITION Second edition of Health aspects of chemical and biological weapons: report of a WHO Group of Consultants, Geneva, World Health Organization, 1970 WORLD HEALTH ORGANIZATION GENEVA 2003 DRAFT MAY 2003 [Copyright, CIP data and ISBN/verso] WHO Library Cataloguing-in-Publication Data ISBN xxxxx First edition, 1970 Second edition, 2003 © World Health Organization 1970, 2003 All rights reserved. The designations employed and the presentation of the material in this publication do not imply the expression of any opinion whatsoever on the part of the World Health Organization concerning the legal status of any country, territory, city or area or of its authorities, or concerning the delimitation of its frontiers or boundaries. Dotted lines on maps represent approximate border lines for which there may not yet be full agreement. The mention of specific companies or of certain manufacturers’ products does not imply that they are endorsed or recommended by the World Health Organization in preference to others of a similar nature that are not mentioned. Errors and omissions excepted, the names of proprietary products are distinguished by initial capital letters. The World Health Organization does not warrant that the information contained in this publication is complete and correct and shall not be liable for any damages incurred as a result of its use. Publications of the World Health Organization can be obtained from Marketing and Dissemination, World Health Organization, 20 Avenue Appia, 1211 Geneva 27, Switzerland (tel: +41 22 791 2476; fax: +41 22 791 4857; email: [email protected]). -
Pacs by Chemical Name (Mg/M3) (Pdf)
Table 4: Protective Action Criteria (PAC) Rev 25 based on applicable 60-minute AEGLs, ERPGs, or TEELs. Values are presented in mg/m3. August 2009 Table 4 is an alphabetical listing of the chemicals in the PAC data set. It provides Chemical Abstract Service Registry Numbers (CASRNs)1, PAC values, and technical information on the source of the PAC values. Table 4 presents all values for TEEL-0, PAC-1, PAC-2, and PAC-3 in mg/m3. The conversion of ppm to mg/m3 is calculated assuming 25 ºC and 760 mm Hg. The columns presented in Table 4 provide the following information: Heading Definition No. The ordered numbering of the chemicals as they appear in this alphabetical listing. Chemical Name The chemical name given to the PAC Development Team. CASRN The Chemical Abstract Service Registry Number for this chemical. TEEL-0 This is the threshold concentration below which most people will experience no adverse health effects. This PAC is always based on TEEL-0 because AEGL-0 or ERPG-0 values do not exist. PAC-1 Based on the applicable AEGL-1, ERPG-1, or TEEL-1 value. PAC-2 Based on the applicable AEGL-2, ERPG-2, or TEEL-2 value. PAC-3 Based on the applicable AEGL-3, ERPG-3, or TEEL-3 value. Source of PACs: Technical comments provided by the PAC development team that TEEL-0, PAC-1, indicate the source of the data used to derive PAC values. Future efforts PAC-2, PAC-3 are directed at reviewing, revising, and enhancing this information.