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[PMID]:26901842
[Au] Autor:Spieler V; Valldorf B; Maaß F; Kleinschek A; Hüttenhain SH; Kolmar H
[Ad] Endereço:Institute for Organic Chemistry and Biochemistry, Technische Universität Darmstadt, Darmstadt, Germany.
[Ti] Título:Coupled reactions on bioparticles: Stereoselective reduction with cofactor regeneration on PhaC inclusion bodies.
[So] Source:Biotechnol J;11(7):890-8, 2016 Jul.
[Is] ISSN:1860-7314
[Cp] País de publicação:Germany
[La] Idioma:eng
[Ab] Resumo:Chiral alcohols are important building blocks for specialty chemicals and pharmaceuticals. The production of chiral alcohols from ketones can be carried out stereo selectively with alcohol dehydrogenases (ADHs). To establish a process for cost-effective enzyme immobilization on solid phase for application in ketone reduction, we used an established enzyme pair consisting of ADH from Rhodococcus erythropolis and formate dehydrogenase (FDH) from Candida boidinii for NADH cofactor regeneration and co-immobilized them on modified poly-p-hydroxybutyrate synthase (PhaC)-inclusion bodies that were recombinantly produced in Escherichia coli cells. After separate production of genetically engineered and recombinantly produced enzymes and particles, cell lysates were combined and enzymes endowed with a Kcoil were captured on the surface of the Ecoil presenting particles due to coiled-coil interaction. Enzyme-loaded particles could be easily purified by centrifugation. Total conversion of 4'-chloroacetophenone to (S)-4-chloro-α-methylbenzyl alcohol could be accomplished using enzyme-loaded particles, catalytic amounts of NAD(+) and formate as substrates for FDH. Chiral GC-MS analysis revealed that immobilized ADH retained enantioselectivity with 99 % enantiomeric excess. In conclusion, this strategy may become a cost-effective alternative to coupled reactions using purified enzymes.
[Mh] Termos MeSH primário: Álcool Desidrogenase/metabolismo
Formiato Desidrogenases/metabolismo
Corpos de Inclusão/enzimologia
Engenharia de Proteínas/métodos
Proteínas Recombinantes/metabolismo
[Mh] Termos MeSH secundário: Proteínas de Bactérias/metabolismo
Álcoois Benzílicos/química
Biocatálise
Candida/enzimologia
Enzimas Imobilizadas/metabolismo
Escherichia coli/genética
Escherichia coli/metabolismo
Proteínas Fúngicas/metabolismo
Corpos de Inclusão/genética
NAD/metabolismo
Proteínas Recombinantes/genética
Rhodococcus/enzimologia
ômega-Cloroacetofenona/análogos & derivados
ômega-Cloroacetofenona/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Bacterial Proteins); 0 (Benzyl Alcohols); 0 (Enzymes, Immobilized); 0 (Fungal Proteins); 0 (Recombinant Proteins); 0U46U6E8UK (NAD); 88B5039IQG (omega-Chloroacetophenone); 99-91-2 (4-chloroacetophenone); E6O895DQ52 (methylphenyl carbinol); EC 1.1.1.1 (Alcohol Dehydrogenase); EC 1.2.1.2 (Formate Dehydrogenases)
[Em] Mês de entrada:1701
[Cu] Atualização por classe:170117
[Lr] Data última revisão:
170117
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:160223
[St] Status:MEDLINE
[do] DOI:10.1002/biot.201500495


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[PMID]:26814150
[Au] Autor:Fan D; Bradley MJ; Hinkle AW; Johnson RL; Tratnyek PG
[Ad] Endereço:Institute of Environmental Health Oregon Health & Science University 3181 SW Sam Jackson Park Road, Portland, Oregon 97239, United States.
[Ti] Título:Chemical Reactivity Probes for Assessing Abiotic Natural Attenuation by Reducing Iron Minerals.
[So] Source:Environ Sci Technol;50(4):1868-76, 2016 Feb 16.
[Is] ISSN:1520-5851
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Increasing recognition that abiotic natural attenuation (NA) of chlorinated solvents can be important has created demand for improved methods to characterize the redox properties of the aquifer materials that are responsible for abiotic NA. This study explores one promising approach: using chemical reactivity probes (CRPs) to characterize the thermodynamic and kinetic aspects of contaminant reduction by reducing iron minerals. Assays of thermodynamic CRPs were developed to determine the reduction potentials (ECRP) of suspended minerals by spectrophotometric determination of equilibrium CRP speciation and calculations using the Nernst equation. ECRP varied as expected with mineral type, mineral loading, and Fe(II) concentration. Comparison of ECRP with reduction potentials measured potentiometrically using a Pt electrode (EPt) showed that ECRP was 100-150 mV more negative than EPt. When EPt was measured with small additions of CRPs, the systematic difference between EPt and ECRP was eliminated, suggesting that these CRPs are effective mediators of electron transfer between mineral and electrode surfaces. Model contaminants (4-chloronitrobenzene, 2-chloroacetophenone, and carbon tetrachloride) were used as kinetic CRPs. The reduction rate constants of kinetic CRPs correlated well with the ECRP for mineral suspensions. Using the rate constants compiled from literature for contaminants and relative mineral reduction potentials based on ECRP measurements, qualitatively consistent trends were obtained, suggesting that CRP-based assays may be useful for estimating abiotic NA rates of contaminants in groundwater.
[Mh] Termos MeSH primário: Tetracloreto de Carbono/química
Monitoramento Ambiental/métodos
Compostos Ferrosos/química
Nitrobenzenos/química
Poluentes Químicos da Água/química
ômega-Cloroacetofenona/química
[Mh] Termos MeSH secundário: Ferro/química
Minerais/química
Oxirredução
Potenciometria
Espectrofotometria Ultravioleta
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, U.S. GOV'T, NON-P.H.S.
[Nm] Nome de substância:
0 (Ferrous Compounds); 0 (Minerals); 0 (Nitrobenzenes); 0 (Water Pollutants, Chemical); 88B5039IQG (omega-Chloroacetophenone); CL2T97X0V0 (Carbon Tetrachloride); CVL66U249D (4-chloronitrobenzene); E1UOL152H7 (Iron)
[Em] Mês de entrada:1610
[Cu] Atualização por classe:161230
[Lr] Data última revisão:
161230
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:160128
[St] Status:MEDLINE
[do] DOI:10.1021/acs.est.5b05800


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[PMID]:26692048
[Au] Autor:Greenberg MI; Sexton KJ; Vearrier D
[Ad] Endereço:a Department of Emergency Medicine , Drexel University College of Medicine , Philadelphia , PA , USA.
[Ti] Título:Sea-dumped chemical weapons: environmental risk, occupational hazard.
[So] Source:Clin Toxicol (Phila);54(2):79-91, 2016.
[Is] ISSN:1556-9519
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:INTRODUCTION: Chemical weapons dumped into the ocean for disposal in the twentieth century pose a continuing environmental and human health risk. OBJECTIVE: In this review we discuss locations, quantity, and types of sea-dumped chemical weapons, related environmental concerns, and human encounters with sea-dumped chemical weapons. METHODS: We utilized the Ovid (http://ovidsp.tx.ovid.com) and PubMed (http://www.pubmed.org) search engines to perform MEDLINE searches for the terms 'sea-dumped chemical weapons', 'chemical warfare agents', and 'chemical munitions'. The searches returned 5863 articles. Irrelevant and non-English articles were excluded. A review of the references for these articles yielded additional relevant sources, with a total of 64 peer-reviewed articles cited in this paper. History and geography of chemical weapons dumping at sea: Hundreds of thousands of tons of chemical munitions were disposed off at sea following World War II. European, Russian, Japanese, and United States coasts are the areas most affected worldwide. Several areas in the Baltic and North Seas suffered concentrated large levels of dumping, and these appear to be the world's most studied chemical warfare agent marine dumping areas. Chemical warfare agents: Sulfur mustard, Lewisite, and the nerve agents appear to be the chemical warfare agents most frequently disposed off at sea. Multiple other type of agents including organoarsenicals, blood agents, choking agents, and lacrimators were dumped at sea, although in lesser volumes. Environmental concerns: Numerous geohydrologic variables contribute to the rate of release of chemical agents from their original casings, leading to difficult and inexact modeling of risk of release into seawater. Sulfur mustard and the organoarsenicals are the most environmentally persistent dumped chemical agents. Sulfur mustard in particular has a propensity to form a solid or semi-solid lump with a polymer coating of breakdown products, and can persist in this state on the ocean floor for decades. Rates of solubility and hydrolysis and levels of innate toxicity of a chemical agent are used to predict the risk to the marine environments. The organoarsenicals eventually breakdown into arsenic, and thus present an indefinite timeline for contamination. Generally, studies assaying sediment and water levels of parent chemical agents and breakdown products at dumpsites have found minimal amounts of relevant chemicals, although arsenic levels are typically higher in dumpsites than reference areas. Studies of marine organisms have not shown concerning amounts of chemical agents or breakdown products in tissue, but have shown evidence of chronic toxicity. There is believed to be minimal risk posed by seafood consumption. Microbiota assays of dumpsites are significantly altered in species composition compared to reference sites, which may imply unseen but significant changes to ecosystems of dumpsites. Human health concerns: The major human health risk at this time appears to arise from acute exposure to an agent by either accidental recovery of a chemical weapon on a fishing vessel, or by munitions washed ashore onto beaches. CONCLUSIONS: Improving technology continues to make the deep sea more accessible, thus increasing the risk of disturbing munitions lying on or buried in the seabed. Pipe laying, cable burying, drilling, scuba diving, trawling, and undersea scientific research are the activities posing the most risk. The long-term threat to the benthic habitat via increased arsenic concentrations, shifts in microbiota speciation, and chronic toxicity to vertebrates and invertebrates is not currently understood. The risk to the environment of massive release via disturbance remains a distinct possibility. Terrorist recovery and re-weaponization of chemical agents is a remote possibility.
[Mh] Termos MeSH primário: Substâncias para a Guerra Química/análise
Oceanos e Mares
[Mh] Termos MeSH secundário: Animais
Organismos Aquáticos/efeitos dos fármacos
Organismos Aquáticos/crescimento & desenvolvimento
Arsenicais/análise
Substâncias para a Guerra Química/toxicidade
Cianetos/análise
Cianetos/toxicidade
Bases de Dados Factuais
Monitoramento Ambiental
Europa (Continente)
Peixes/crescimento & desenvolvimento
Sedimentos Geológicos/análise
Seres Humanos
Japão
Gás de Mostarda/análise
Gás de Mostarda/toxicidade
Agentes Neurotóxicos/análise
Agentes Neurotóxicos/toxicidade
Fosgênio/análise
Fosgênio/toxicidade
Medição de Risco
Estados Unidos
Poluentes Químicos da Água/análise
Poluentes Químicos da Água/toxicidade
ômega-Cloroacetofenona/análise
ômega-Cloroacetofenona/toxicidade
[Pt] Tipo de publicação:JOURNAL ARTICLE; REVIEW
[Nm] Nome de substância:
0 (Arsenicals); 0 (Chemical Warfare Agents); 0 (Cyanides); 0 (Nerve Agents); 0 (Water Pollutants, Chemical); 117K140075 (Phosgene); 88B5039IQG (omega-Chloroacetophenone); T8KEC9FH9P (Mustard Gas)
[Em] Mês de entrada:1606
[Cu] Atualização por classe:160122
[Lr] Data última revisão:
160122
[Sb] Subgrupo de revista:AIM; IM
[Da] Data de entrada para processamento:151223
[St] Status:MEDLINE
[do] DOI:10.3109/15563650.2015.1121272


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[PMID]:26955713
[Au] Autor:Sun X; Che C; Ji J; Zheng J; Yang G
[Ti] Título:[Heterologous expression and substrate specificity of ketoreductase domain in bacillaene polyketide synthase].
[So] Source:Sheng Wu Gong Cheng Xue Bao;31(9):1355-62, 2015 Sep.
[Is] ISSN:1000-3061
[Cp] País de publicação:China
[La] Idioma:chi
[Ab] Resumo:The ketoreductase (KR) domain in the first extending module of the polyketide synthase (PKS) catalyzes the reductions of both an α-keto group and a ß-keto group in the biosynthesis of bacillaene, suggesting the intrinsic substrate promiscuity. In order to further investigate the substrate specificity, the KR domain (BacKR1) was heterologously overexpressed in Escherichia coli. In vitro enzymatic analysis showed that only one of the four diastereomers was formed in the reduction of the racemic (±)-2-methyl-3-oxopentanoyl-N-acetylcysteamine thioester catalyzed by BacKR1. In addition, BacKR1 was revealed to catalyze the reductions of cyclohexanone and p-chloroacetophenone, indicating the potential of KR domians of PKSs as biocatalysts.
[Mh] Termos MeSH primário: Proteínas de Bactérias/metabolismo
Escherichia coli/enzimologia
Policetídeo Sintases/metabolismo
[Mh] Termos MeSH secundário: Proteínas de Bactérias/genética
Catálise
Cicloexanonas/metabolismo
Policetídeo Sintases/genética
Estrutura Terciária de Proteína
Especificidade por Substrato
ômega-Cloroacetofenona/metabolismo
[Pt] Tipo de publicação:ENGLISH ABSTRACT; JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Bacterial Proteins); 0 (Cyclohexanones); 5QOR3YM052 (cyclohexanone); 79956-01-7 (Polyketide Synthases); 88B5039IQG (omega-Chloroacetophenone)
[Em] Mês de entrada:1605
[Cu] Atualização por classe:160309
[Lr] Data última revisão:
160309
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:160310
[St] Status:MEDLINE


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[PMID]:26343336
[Au] Autor:Kratzer R; Woodley JM; Nidetzky B
[Ad] Endereço:Institute of Biotechnology and Biochemical Engineering, Graz University of Technology, Petersgasse 12/I, 8010 Graz, Austria. Electronic address: regina.kratzer@tugraz.at.
[Ti] Título:Rules for biocatalyst and reaction engineering to implement effective, NAD(P)H-dependent, whole cell bioreductions.
[So] Source:Biotechnol Adv;33(8):1641-52, 2015 Dec.
[Is] ISSN:1873-1899
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Access to chiral alcohols of high optical purity is today frequently provided by the enzymatic reduction of precursor ketones. However, bioreductions are complicated by the need for reducing equivalents in the form of NAD(P)H. The high price and molecular weight of NAD(P)H necessitate in situ recycling of catalytic quantities, which is mostly accomplished by enzymatic oxidation of a cheap co-substrate. The coupled oxidoreduction can be either performed by free enzymes in solution or by whole cells. Reductase selection, the decision between cell-free and whole cell reduction system, coenzyme recycling mode and reaction conditions represent design options that strongly affect bioreduction efficiency. In this paper, each option was critically scrutinized and decision rules formulated based on well-described literature examples. The development chain was visualized as a decision-tree that can be used to identify the most promising route towards the production of a specific chiral alcohol. General methods, applications and bottlenecks in the set-up are presented and key experiments required to "test" for decision-making attributes are defined. The reduction of o-chloroacetophenone to (S)-1-(2-chlorophenyl)ethanol was used as one example to demonstrate all the development steps. Detailed analysis of reported large scale bioreductions identified product isolation as a major bottleneck in process design.
[Mh] Termos MeSH primário: Álcoois/química
Biocatálise
Engenharia Metabólica
Oxirredutases/química
[Mh] Termos MeSH secundário: Escherichia coli/química
Escherichia coli/genética
Cetonas/química
NADP/química
Oxirredução
Oxirredutases/genética
Especificidade por Substrato
ômega-Cloroacetofenona/química
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T; REVIEW
[Nm] Nome de substância:
0 (Alcohols); 0 (Ketones); 53-59-8 (NADP); 88B5039IQG (omega-Chloroacetophenone); EC 1.- (Oxidoreductases)
[Em] Mês de entrada:1609
[Cu] Atualização por classe:170922
[Lr] Data última revisão:
170922
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150908
[St] Status:MEDLINE


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[PMID]:26029859
[Au] Autor:Suzuka T; Sueyoshi H; Maehara S; Ogasawara H
[Ad] Endereço:Department of Chemistry, University of the Ryukyus, Okinawa 903-0213, Japan. suzuka@sci.u-ryukyu.ac.jp.
[Ti] Título:Reactivity of Aryl Halides for Reductive Dehalogenation in (Sea)water Using Polymer-Supported Terpyridine Palladium Catalyst.
[So] Source:Molecules;20(6):9906-14, 2015 May 28.
[Is] ISSN:1420-3049
[Cp] País de publicação:Switzerland
[La] Idioma:eng
[Ab] Resumo:A polymer-supported terpyridine palladium complex was prepared. The complex was found to promote hydrodechlorination of aryl chlorides with potassium formate in seawater. Generally, reductive cleavage of aryl chlorides using transition metal catalysts is more difficult than that of aryl bromides and iodides (reactivity: I > Br > Cl); however, the results obtained did not follow the general trend. Therefore, we investigated the reaction inhibition agents and found a method to remove these inhibitors. The polymeric catalysts showed high catalytic activity and high reusability for transfer reduction in seawater.
[Mh] Termos MeSH primário: Acetofenonas/química
Halogênios/isolamento & purificação
Paládio/química
Piridinas/química
Poluentes Químicos da Água/química
ômega-Cloroacetofenona/análogos & derivados
[Mh] Termos MeSH secundário: Catálise
Reutilização de Equipamento
Oxirredução
Água do Mar/química
Purificação da Água/métodos
ômega-Cloroacetofenona/química
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Acetophenones); 0 (Halogens); 0 (Pyridines); 0 (Water Pollutants, Chemical); 5TWQ1V240M (Palladium); 754Y0U325I (phenacyl bromide); 88B5039IQG (omega-Chloroacetophenone); 99-91-2 (4-chloroacetophenone)
[Em] Mês de entrada:1602
[Cu] Atualização por classe:150602
[Lr] Data última revisão:
150602
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150602
[St] Status:MEDLINE
[do] DOI:10.3390/molecules20069906


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[PMID]:25572084
[Au] Autor:Toprak S; Ersoy G; Hart J; Clevestig P
[Ad] Endereço:Department of Forensic Medicine, Bulent Ecevit University, Zonguldak, Turkey. Electronic address: sadik_toprak@yahoo.com.
[Ti] Título:The pathology of lethal exposure to the Riot Control Agents: towards a forensics-based methodology for determining misuse.
[So] Source:J Forensic Leg Med;29:36-42, 2015 Jan.
[Is] ISSN:1878-7487
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:The aim of this is to review deaths associated with the use of Riot Control Agents (RCAs) and to assess how the presenting pathologies is such cases may better inform cause of death conclusions upon autopsy. We also sought to present which additional steps should be added to the Minnesota protocol and the European harmonization of medico-legal autopsy rules in suspected cases of deaths associated with the use of RCAs. We included 10 lethal cases in our study. In three cases, RCAs were found to be the sole cause of death, in three cases RCAs were ruled a secondary cause of death due asphyxia or asthma subsequent to exposure to RCAs and in four cases RCAs were contributory factors to death. In three cases the responsible agents were identified as Chloroacetophenone (CN), Chlorobenzylidene malononitrile (CS) and Oleoresin capsicum (OC) and in the remaining 7 cases, the agent was OC alone. As there are no specific findings in suspected cases of death associated with RCA use, establishing cause of death and whether RCAs are the sole cause or only a contributory factor will be based on the elimination of other possible causes of death. For this reason, a specifically structured autopsy is essential. This specifically structured autopsy should contain basic principles of the Minnesota Protocol and the European harmonization of medico-legal autopsy rules with the following additional steps taken: examination of clothing, eyes, and skin; examination of pharyngeal, tracheobronchial, and eusophegeal mucosas; and a thorough recording of the steps taken by the party conducting the arrest, including other possible causes of in-custody death, as well as a detailed medical history of the deceased.
[Mh] Termos MeSH primário: Patologia Legal/métodos
Substâncias para Controle de Distúrbios Civis/efeitos adversos
Substâncias para Controle de Distúrbios Civis/envenenamento
[Mh] Termos MeSH secundário: Adulto
Asfixia/induzido quimicamente
Asma/induzido quimicamente
Toxicologia Forense
Seres Humanos
Masculino
Anamnese
Meia-Idade
Miocárdio/patologia
Extratos Vegetais/efeitos adversos
Extratos Vegetais/envenenamento
Mucosa Respiratória/patologia
Sistema Respiratório/patologia
o-Clorobenzilidenomalonitrila/efeitos adversos
o-Clorobenzilidenomalonitrila/envenenamento
ômega-Cloroacetofenona/efeitos adversos
ômega-Cloroacetofenona/envenenamento
[Pt] Tipo de publicação:CASE REPORTS; JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Plant Extracts); 0 (Riot Control Agents, Chemical); 0 (oleoresins); 2698-41-1 (o-Chlorobenzylidenemalonitrile); 88B5039IQG (omega-Chloroacetophenone)
[Em] Mês de entrada:1509
[Cu] Atualização por classe:150109
[Lr] Data última revisão:
150109
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150110
[St] Status:MEDLINE


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[PMID]:24379300
[Au] Autor:Schep LJ; Slaughter RJ; McBride DI
[Ad] Endereço:National Poisons Centre, Department of Preventive and Social Medicine, University of Otago, Dunedin, New Zealand.
[Ti] Título:Riot control agents: the tear gases CN, CS and OC-a medical review.
[So] Source:J R Army Med Corps;161(2):94-9, 2015 Jun.
[Is] ISSN:0035-8665
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:INTRODUCTION: 2-Chloroacetophenone (CN), o-chlorobenzylidene malonitrile (CS) and oleoresin capsicum (OC) are common riot control agents. While serious systemic effects are uncommon, exposure to high concentrations may lead to severe complications and even death. The aim of this narrative review is to summarise all main aspects of the riot control agents CN, CS and OC toxicology, including mechanisms of toxicity, clinical features and management. METHODS: OVID MEDLINE and ISI Web of Science were searched for terms associated with CN, CS and OC toxicity in humans and those describing the mechanism of action, clinical features and treatment protocols. RESULTS: CN, CS and OC are effective lacrimating agents; evidence for toxicity, as measured by the threshold for irritation, is greatest for CN, followed by CS and OC. Typically, ocular and respiratory tract irritation occurs within 20-60 s of exposure. Ocular effects involve blepharospasm, photophobia, conjunctivitis and periorbital oedema. Following inhalation, effects may include a stinging or burning sensation in the nose, tight chest, sore throat, coughing, dyspnoea and difficulty breathing. Dermal outcomes are variable, more severe for CN and include dermal irritation, bulla formation and subcutaneous oedema. Removal from the contaminated area and fresh air is a priority. There is no antidote; treatment consists of thorough decontamination and symptom-directed supportive care. Ocular exposure requires thorough eye decontamination, an eye exam and appropriate pain management. Monitoring and support of respiratory function is important in patients with significant respiratory symptoms. Standard treatment protocols may be required with patients with pre-existing respiratory conditions. Dermal exposures may require systemic steroids for patients who develop delayed contact dermatitis. CONCLUSIONS: CN, CS and OC are effective riot control agents. In the majority of exposures, significant clinical effects are not anticipated. The irritant effects can be minimised both by rapid evacuation from sites of exposure, decontamination and appropriate supportive care.
[Mh] Termos MeSH primário: Extratos Vegetais
Substâncias para Controle de Distúrbios Civis
o-Clorobenzilidenomalonitrila
ômega-Cloroacetofenona
[Mh] Termos MeSH secundário: Seres Humanos
Medicina Militar
Militares
Equipamentos de Proteção
Tumultos/prevenção & controle
[Pt] Tipo de publicação:JOURNAL ARTICLE; REVIEW
[Nm] Nome de substância:
0 (Plant Extracts); 0 (Riot Control Agents, Chemical); 0 (oleoresins); 2698-41-1 (o-Chlorobenzylidenemalonitrile); 88B5039IQG (omega-Chloroacetophenone)
[Em] Mês de entrada:1508
[Cu] Atualização por classe:150521
[Lr] Data última revisão:
150521
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140101
[St] Status:MEDLINE
[do] DOI:10.1136/jramc-2013-000165


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[PMID]:25072248
[Au] Autor:Ma H; Yang X; Lu Z; Liu N; Chen Y
[Ad] Endereço:State Key Laboratory of Natural Medicines and Laboratory of Chemical Biology, China Pharmaceutical University, Nanjing, Jiangsu Province, People's Republic of China.
[Ti] Título:The "gate keeper" role of Trp222 determines the enantiopreference of diketoreductase toward 2-chloro-1-phenylethanone.
[So] Source:PLoS One;9(7):e103792, 2014.
[Is] ISSN:1932-6203
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Trp222 of diketoreductase (DKR), an enzyme responsible for reducing a variety of ketones to chiral alcohols, is located at the hydrophobic dimeric interface of the C-terminus. Single substitutions at DKR Trp222 with either canonical (Val, Leu, Met, Phe and Tyr) or unnatural amino acids (UAAs) (4-cyano-L-phenylalanine, 4-methoxy-L-phenylalanine, 4-phenyl-L-phenyalanine, O-tert-butyl-L-tyrosine) inverts the enantiotope preference of the enzyme toward 2-chloro-1-phenylethanone with close side chain correlation. Analyses of enzyme activity, substrate affinity and ternary structure of the mutants revealed that substitution at Trp222 causes a notable change in the overall enzyme structure, and specifically in the entrance tunnel to the active center. The size of residue 222 in DKR is vital to its enantiotope preference. Trp222 serves as a "gate keeper" to control the direction of substrate entry into the active center. Consequently, opposite substrate-binding orientations produce respective alcohol enantiomers.
[Mh] Termos MeSH primário: Oxirredutases/metabolismo
Triptofano/química
ômega-Cloroacetofenona/química
[Mh] Termos MeSH secundário: Sítios de Ligação
Domínio Catalítico
Escherichia coli/metabolismo
Cinética
Simulação de Acoplamento Molecular
Mutagênese Sítio-Dirigida
Oxirredutases/genética
Estrutura Secundária de Proteína
Proteínas Recombinantes/biossíntese
Proteínas Recombinantes/genética
Proteínas Recombinantes/isolamento & purificação
Estereoisomerismo
Termodinâmica
Triptofano/metabolismo
ômega-Cloroacetofenona/metabolismo
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Recombinant Proteins); 88B5039IQG (omega-Chloroacetophenone); 8DUH1N11BX (Tryptophan); EC 1.- (Oxidoreductases)
[Em] Mês de entrada:1511
[Cu] Atualização por classe:170220
[Lr] Data última revisão:
170220
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140730
[St] Status:MEDLINE
[do] DOI:10.1371/journal.pone.0103792


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[PMID]:24526411
[Au] Autor:Gill JR
[Ad] Endereço:State of Connecticut, Office of the Chief Medical Examiner, 11 Shuttle Rd, Farmington, CT, 06032, USA, jgill@ocme.org.
[Ti] Título:The syndrome of excited delirium.
[So] Source:Forensic Sci Med Pathol;10(2):223-8, 2014 Jun.
[Is] ISSN:1556-2891
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:The excited delirium syndrome (EDS) is a life-threatening condition caused by a variety of factors including drug intoxication and psychiatric illness. Fatal instances of excited delirium frequently come to the attention of the medical examiner/coroner due to the circumstances and potential causes. Excited delirium may include paranoid, aggressive, and incoherent behavior which may lead to an encounter with law enforcement. In some instances, the person may die while in the presence of law enforcement. This circumstance further broadens the potential causes of death particularly as EDS has no pathognomonic autopsy finding. Although the syndrome of excited delirium is sufficient to explain death, other intervening causes need to be considered. These include chest or neck compression during restraint, blunt trauma, and underlying natural disease. Since chest/neck compression, natural disease (e.g., atherosclerosis), blunt trauma, and excited delirium are not mutually exclusive, all may be present in one death. The forensic pathologist's role is to determine what caused and/or contributed to the death. When attempting to determine the proximate cause of death in instances with multiple potential causes, determining the mechanism of death often is useful. As not all causes of death have pathologically-demonstrable mechanisms of death, examination of the circumstances of the death often are diagnostically important. The main goal of the autopsy of deaths suspected to be due to EDS is to identify (or exclude) intervening diseases or injuries sufficient to explain the death in the context of the investigated circumstances.
[Mh] Termos MeSH primário: Delírio/fisiopatologia
Medicina Legal
Agitação Psicomotora/fisiopatologia
[Mh] Termos MeSH secundário: Asfixia/diagnóstico
Asfixia/etiologia
Autopsia
Lesões por Armas de Eletrochoque/fisiopatologia
Diagnóstico Diferencial
Efeitos Colaterais e Reações Adversas Relacionados a Medicamentos
Seres Humanos
Irritantes/efeitos adversos
Esforço Físico/fisiologia
Papel Profissional
Transtornos Psicóticos/fisiopatologia
Restrição Física/efeitos adversos
Restrição Física/fisiologia
Estresse Fisiológico/fisiologia
Transtornos Relacionados ao Uso de Substâncias/fisiopatologia
Síndrome
Ferimentos e Lesões/patologia
ômega-Cloroacetofenona/efeitos adversos
[Pt] Tipo de publicação:JOURNAL ARTICLE; REVIEW
[Nm] Nome de substância:
0 (Irritants); 88B5039IQG (omega-Chloroacetophenone)
[Em] Mês de entrada:1501
[Cu] Atualização por classe:171107
[Lr] Data última revisão:
171107
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140215
[St] Status:MEDLINE
[do] DOI:10.1007/s12024-014-9530-2



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