Appendix a to Part 27
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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. -
Transport of Dangerous Goods
ST/SG/AC.10/1/Rev.16 (Vol.I) Recommendations on the TRANSPORT OF DANGEROUS GOODS Model Regulations Volume I Sixteenth revised edition UNITED NATIONS New York and Geneva, 2009 NOTE 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 Secretariat of the United Nations concerning the legal status of any country, territory, city or area, or of its authorities, or concerning the delimitation of its frontiers or boundaries. ST/SG/AC.10/1/Rev.16 (Vol.I) Copyright © United Nations, 2009 All rights reserved. No part of this publication may, for sales purposes, be reproduced, stored in a retrieval system or transmitted in any form or by any means, electronic, electrostatic, magnetic tape, mechanical, photocopying or otherwise, without prior permission in writing from the United Nations. UNITED NATIONS Sales No. E.09.VIII.2 ISBN 978-92-1-139136-7 (complete set of two volumes) ISSN 1014-5753 Volumes I and II not to be sold separately FOREWORD The Recommendations on the Transport of Dangerous Goods are addressed to governments and to the international organizations concerned with safety in the transport of dangerous goods. The first version, prepared by the United Nations Economic and Social Council's Committee of Experts on the Transport of Dangerous Goods, was published in 1956 (ST/ECA/43-E/CN.2/170). In response to developments in technology and the changing needs of users, they have been regularly amended and updated at succeeding sessions of the Committee of Experts pursuant to Resolution 645 G (XXIII) of 26 April 1957 of the Economic and Social Council and subsequent resolutions. -
Germane Facts About Germanium Sesquioxide: I. Chemistry and Anticancer Properties
THE JOURNAL OF ALTERNATIVE AND COMPLEMENTARY MEDICINE Volume 10, Number 2, 2004, pp. 337–344 ©Mary Ann Liebert, Inc. Germane Facts About Germanium Sesquioxide: I. Chemistry and Anticancer Properties BONNIEJ. KAPLAN, Ph.D., 1 W. WESLEYPARISH, Ph.D., 2 G. MERRILLANDRUS, Ph.D., 2 J. STEVENA. SIMPSON, Ph.D., M.D., 3 and CATHERINEJ. FIELD, Ph.D., R.D. 4 ABSTRACT This paper reviews the history, chemistry, safety, toxicity, and anticancer effects of the organogermanium compound bis (2-carboxyethylgermanium) sesquioxide (CEGS). A companion review follows, discussing the inaccuracies in the scientific record that have prematurely terminated research on clinical uses of CEGS. CEGS is a unique organogermanium compound first made by Mironov and coworkers in Russia and, shortly there- after, popularized by Asai and his colleagues in Japan. Low concentrations of germanium occur in nearly all soils, plants and animal life; natural occurrence of the CEGS form is postulated but not yet demonstrated. The literature demonstrating its anticancer effect is particularly strong: CEGS induces interferon- g (IFN-g), en- hances natural killer cell activity, and inhibits tumor and metastatic growth—effects often detectable after a single oral dose. In addition, oral consumption of CEGS is readily assimilated and rapidly cleared from the body without evidence of toxicity. Given these findings, the absence of human clinical trials of CEGS is un- expected. Possible explanations of why the convincing findings from animal research have not been used to support clinical trials are discussed. Clinical trials on CEGS are recommended. INTRODUCTION bispropionic acid; 3-oxygermylpropionic acid polymer; poly- trans-(2-carboxyethyl) germasesquioxane); proxigerma- n general, dietary supplements are an underinvestigated nium; repagermanium; and Serocion. -
Cancer Drug Pharmacology Table
CANCER DRUG PHARMACOLOGY TABLE Cytotoxic Chemotherapy Drugs are classified according to the BC Cancer Drug Manual Monographs, unless otherwise specified (see asterisks). Subclassifications are in brackets where applicable. Alkylating Agents have reactive groups (usually alkyl) that attach to Antimetabolites are structural analogues of naturally occurring molecules DNA or RNA, leading to interruption in synthesis of DNA, RNA, or required for DNA and RNA synthesis. When substituted for the natural body proteins. substances, they disrupt DNA and RNA synthesis. bendamustine (nitrogen mustard) azacitidine (pyrimidine analogue) busulfan (alkyl sulfonate) capecitabine (pyrimidine analogue) carboplatin (platinum) cladribine (adenosine analogue) carmustine (nitrosurea) cytarabine (pyrimidine analogue) chlorambucil (nitrogen mustard) fludarabine (purine analogue) cisplatin (platinum) fluorouracil (pyrimidine analogue) cyclophosphamide (nitrogen mustard) gemcitabine (pyrimidine analogue) dacarbazine (triazine) mercaptopurine (purine analogue) estramustine (nitrogen mustard with 17-beta-estradiol) methotrexate (folate analogue) hydroxyurea pralatrexate (folate analogue) ifosfamide (nitrogen mustard) pemetrexed (folate analogue) lomustine (nitrosurea) pentostatin (purine analogue) mechlorethamine (nitrogen mustard) raltitrexed (folate analogue) melphalan (nitrogen mustard) thioguanine (purine analogue) oxaliplatin (platinum) trifluridine-tipiracil (pyrimidine analogue/thymidine phosphorylase procarbazine (triazine) inhibitor) -
2018 Annual Survey of Biological and Chemical Agents Regulated by Homeland Security (And Carcinogens Regulated by OSHA)
Name: Dept: Date: 2018 Annual Survey of Biological and Chemical Agents regulated by Homeland Security (and carcinogens regulated by OSHA) Due (date) All labs that do not have a current chemical inventory in Chematix MUST complete this survey. The University is required to make an annual report of all chemicals on the Chemical Facility Anti-Terrorism Standards (CFATS) lists. Additional information regarding the regulations is available on the EH&S website at http://www.safety.rochester.edu/restricted/occsafe/chemicalagent.html and https://www.selectagents.gov. 1. Please review the lists on the following pages and indicate if any are possessed by your lab. The CAS# has been added to the list for ease of searching databases. The CAS# is a Chemical Abstract Service numbering system which assigns a unique number to every chemical substance based on structure; this helps avoid confusion by use of synonyms or different naming conventions. a. If yes for possession, place an X in the applicable box and if requested, include the quantity held in your lab. b. If no, leave blank. 2. After reviewing the list, please complete the information box below (or on last page for possession), then sign, date and return to EH&S. 3. Please call Donna Douglass at 275-2402 if you have any questions. Thank you for your cooperation in collecting data required by the Department of Homeland Security! Possession: 1) Fill in applicable boxes, 2) have PI sign last page, 3) return all pages to Donna Douglass OR Non-possession: 1) Check only one box on the left, 2) sign, 3) return just this page to Donna Douglass I do not have a lab, do not work in a lab, nor do I possess any of the agents in this survey. -
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. -
Anaerobic Degradation of Methanethiol in a Process for Liquefied Petroleum Gas (LPG) Biodesulfurization
Anaerobic degradation of methanethiol in a process for Liquefied Petroleum Gas (LPG) biodesulfurization Promotoren Prof. dr. ir. A.J.H. Janssen Hoogleraar in de Biologische Gas- en waterreiniging Prof. dr. ir. A.J.M. Stams Persoonlijk hoogleraar bij het laboratorium voor Microbiologie Copromotor Prof. dr. ir. P.N.L. Lens Hoogleraar in de Milieubiotechnologie UNESCO-IHE, Delft Samenstelling promotiecommissie Prof. dr. ir. R.H. Wijffels Wageningen Universiteit, Nederland Dr. ir. G. Muyzer TU Delft, Nederland Dr. H.J.M. op den Camp Radboud Universiteit, Nijmegen, Nederland Prof. dr. ir. H. van Langenhove Universiteit Gent, België Dit onderzoek is uitgevoerd binnen de onderzoeksschool SENSE (Socio-Economic and Natural Sciences of the Environment) Anaerobic degradation of methanethiol in a process for Liquefied Petroleum Gas (LPG) biodesulfurization R.C. van Leerdam Proefschrift ter verkrijging van de graad van doctor op gezag van de rector magnificus van Wageningen Universiteit Prof. dr. M.J. Kropff in het openbaar te verdedigen op maandag 19 november 2007 des namiddags te vier uur in de Aula Van Leerdam, R.C., 2007. Anaerobic degradation of methanethiol in a process for Liquefied Petroleum Gas (LPG) biodesulfurization. PhD-thesis Wageningen University, Wageningen, The Netherlands – with references – with summaries in English and Dutch ISBN: 978-90-8504-787-2 Abstract Due to increasingly stringent environmental legislation car fuels have to be desulfurized to levels below 10 ppm in order to minimize negative effects on the environment as sulfur-containing emissions contribute to acid deposition (‘acid rain’) and to reduce the amount of particulates formed during the burning of the fuel. Moreover, low sulfur specifications are also needed to lengthen the lifetime of car exhaust catalysts. -
"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. -
Category Name C2-C4 Aliphatic Thiols Category Chemical Names
SIAM 30, 20-22 April 2010 US/ICCA Category Name C2-C4 Aliphatic Thiols Category 1-Ethanethiol (CAS No. 75-08-1) Chemical Names 1-Propanethiol (CAS No.107-03-9) and CAS Nos. 1-Butanethiol (CAS No.109-79-5) 2-Propanethiol, 2-Methyl (CAS No. 75-66-1) H2 H2 C HS C C CH HS CH3 3 H2 1-Ethanethiol 1-Propanethiol (Ethyl Mercaptan) (n-Propyl Mercaptan) H H CH Structural Formulae 2 2 3 C C HS C CH 3 H3C SH H2 1-Butanethiol CH3 (n-Butyl Mercaptan) 2-Propanethiol, 2-Methyl (t-Butyl Mercaptan) SUMMARY CONCLUSIONS OF THE SIAR Category Rationale The C2-C4 Aliphatic Thiols contain a sulfhydryl (SH) functional group with a straight or branched aliphatic carbon chain that characterizes the category. The four aliphatic thiols are soluble in water and have reasonably comparable melting points, initial boiling points and vapor pressures, as well as very low and objectionable odor thresholds. The water solubility and narrow range of octanol-water partition coefficients (log Kow) for the three linear C2-C4 Aliphatic Thiols indicate that they will have similar environmental fate and are not expected to bioaccumulate in aquatic organisms. Ecotoxicity is similar for the three linear C2-C4 Aliphatic Thiols with data for fish, invertebrate and algae toxicity indicating a similar order of acute toxicity across the chemicals tested (ecotoxicity is less for t-butyl-mercaptan). ECOSAR has been used to address and support the data gaps for the linear category members. Environmental fate and toxicity data are available for the branched t-butyl mercaptan. -
Aegls Brochure
4.85 5 5 About the Board on Environmental Studies and Toxicology The Board on Environmental Studies and Toxicology addresses Types of Chemicals Covered in the AEGLs Series environmental pollution problems affecting human health, human impacts on the environment, and the assessment and management of risks to AEGLs values for the chemicals listed below were published in the first human health and the environment. The board’s reports answer questions six volumes of the AEGLs series. AEGLs for additional chemicals will about air and water pollution; solid and hazardous waste; toxicology; continue to be published in subsequent volumes. epidemiology; risk assessment; applied ecology; natural resources; and environmental engineering, economics, law, and policy. Allylamine Hydrogen fluoride Ammonia Iron pentacarbonyl Aniline Methyl hydrazine Arsine Methyl isocyanate About NRC Reports from the National Academies Protecting Chlorine Nerve agents GA [tabun], The National Academies, through its National Research Council reports, Chlorine dioxide GB [sarin], GD [soman], GF, provides a unique public service by working outside the framework of Chlorine trifluoride and VX the Public and government to ensure independent, expert advice on matters of science, Crotonaldehyde Nickel carbonyl technology, and medicine. Today, the National Academies include three Cyclohexylamine Phosgene honorary societies that elect new members to their ranks each year- Diborane Phosphine Emergency the National Academy of Sciences, the National Academy of Engineering, 1,1-Dichloro-1-fluoroethane Propylene glycol dinitrate and the Institute of Medicine-and the National Research Council, the (HCFC-141B) Sulfur mustard operating arm that conducts the bulk of the institution’s Dimethylhydrazine 1,1,1,2-Tetrafluoroethane Workers science-policy and technical work. -
APPENDIX G Acid Dissociation Constants
harxxxxx_App-G.qxd 3/8/10 1:34 PM Page AP11 APPENDIX G Acid Dissociation Constants § ϭ 0.1 M 0 ؍ (Ionic strength ( † ‡ † Name Structure* pKa Ka pKa ϫ Ϫ5 Acetic acid CH3CO2H 4.756 1.75 10 4.56 (ethanoic acid) N ϩ H3 ϫ Ϫ3 Alanine CHCH3 2.344 (CO2H) 4.53 10 2.33 ϫ Ϫ10 9.868 (NH3) 1.36 10 9.71 CO2H ϩ Ϫ5 Aminobenzene NH3 4.601 2.51 ϫ 10 4.64 (aniline) ϪO SNϩ Ϫ4 4-Aminobenzenesulfonic acid 3 H3 3.232 5.86 ϫ 10 3.01 (sulfanilic acid) ϩ NH3 ϫ Ϫ3 2-Aminobenzoic acid 2.08 (CO2H) 8.3 10 2.01 ϫ Ϫ5 (anthranilic acid) 4.96 (NH3) 1.10 10 4.78 CO2H ϩ 2-Aminoethanethiol HSCH2CH2NH3 —— 8.21 (SH) (2-mercaptoethylamine) —— 10.73 (NH3) ϩ ϫ Ϫ10 2-Aminoethanol HOCH2CH2NH3 9.498 3.18 10 9.52 (ethanolamine) O H ϫ Ϫ5 4.70 (NH3) (20°) 2.0 10 4.74 2-Aminophenol Ϫ 9.97 (OH) (20°) 1.05 ϫ 10 10 9.87 ϩ NH3 ϩ ϫ Ϫ10 Ammonia NH4 9.245 5.69 10 9.26 N ϩ H3 N ϩ H2 ϫ Ϫ2 1.823 (CO2H) 1.50 10 2.03 CHCH CH CH NHC ϫ Ϫ9 Arginine 2 2 2 8.991 (NH3) 1.02 10 9.00 NH —— (NH2) —— (12.1) CO2H 2 O Ϫ 2.24 5.8 ϫ 10 3 2.15 Ϫ Arsenic acid HO As OH 6.96 1.10 ϫ 10 7 6.65 Ϫ (hydrogen arsenate) (11.50) 3.2 ϫ 10 12 (11.18) OH ϫ Ϫ10 Arsenious acid As(OH)3 9.29 5.1 10 9.14 (hydrogen arsenite) N ϩ O H3 Asparagine CHCH2CNH2 —— —— 2.16 (CO2H) —— —— 8.73 (NH3) CO2H *Each acid is written in its protonated form. -
Chemical Name Federal P Code CAS Registry Number Acutely
Acutely / Extremely Hazardous Waste List Federal P CAS Registry Acutely / Extremely Chemical Name Code Number Hazardous 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- P059 76-44-8 Acutely Hazardous 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10- hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide P050 115-29-7 Acutely Hazardous Methanimidamide, N,N-dimethyl-N'-[2-methyl-4-[[(methylamino)carbonyl]oxy]phenyl]- P197 17702-57-7 Acutely Hazardous 1-(o-Chlorophenyl)thiourea P026 5344-82-1 Acutely Hazardous 1-(o-Chlorophenyl)thiourea 5344-82-1 Extremely Hazardous 1,1,1-Trichloro-2, -bis(p-methoxyphenyl)ethane Extremely Hazardous 1,1a,2,2,3,3a,4,5,5,5a,5b,6-Dodecachlorooctahydro-1,3,4-metheno-1H-cyclobuta (cd) pentalene, Dechlorane Extremely Hazardous 1,1a,3,3a,4,5,5,5a,5b,6-Decachloro--octahydro-1,2,4-metheno-2H-cyclobuta (cd) pentalen-2- one, chlorecone Extremely Hazardous 1,1-Dimethylhydrazine 57-14-7 Extremely Hazardous 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4,4a,5,6,7,8,8a-octahydro-1,4-endo-endo-5,8- dimethanonaph-thalene Extremely Hazardous 1,2,3-Propanetriol, trinitrate P081 55-63-0 Acutely Hazardous 1,2,3-Propanetriol, trinitrate 55-63-0 Extremely Hazardous 1,2,4,5,6,7,8,8-Octachloro-4,7-methano-3a,4,7,7a-tetra- hydro- indane Extremely Hazardous 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]- 51-43-4 Extremely Hazardous 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, P042 51-43-4 Acutely Hazardous 1,2-Dibromo-3-chloropropane 96-12-8 Extremely Hazardous 1,2-Propylenimine P067 75-55-8 Acutely Hazardous 1,2-Propylenimine 75-55-8 Extremely Hazardous 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran Extremely Hazardous 1,3-Dithiolane-2-carboxaldehyde, 2,4-dimethyl-, O- [(methylamino)-carbonyl]oxime 26419-73-8 Extremely Hazardous 1,3-Dithiolane-2-carboxaldehyde, 2,4-dimethyl-, O- [(methylamino)-carbonyl]oxime.