Detection of Chemical Weapon Agents Using Spectroscopic Probes: A Computational Study
المؤلفون المشاركون
Ramalho, Teodorico C.
Mancini, Daiana T.
Silva, Érika Ferreira
Braga, Letícia S.
da Rocha, Eduardo P.
da Cunha, Elaine F. F.
المصدر
العدد
المجلد 2020، العدد 2020 (31 ديسمبر/كانون الأول 2020)، ص ص. 1-11، 11ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2020-04-21
دولة النشر
مصر
عدد الصفحات
11
التخصصات الرئيسية
الملخص EN
Organophosphorus compounds are organic compounds widely employed in agriculture as well as in chemical weapons.
The use in agriculture is due to their insecticidal properties.
However, in chemical warfare, the use of organophosphorus is associated with acetylcholinesterase inhibition, which promotes the cholinergic syndromes.
In this line, the fast detection of this class of compound is crucial for the determination of environmental exposure.
This improved detection will naturally allow for more prompt courses of treatment depending on the contaminant findings.
In this perspective, the dipyrrinone oxime (1) was employed for the detection of organophosphorus compounds that are employed as nerve agents, such as cyclosarin, sarin, soman, diethyl chlorophosphate, diisopropylfluorophosphate, 2-(dimethylamino)ethyl N,N-dimethylphosphoramidofluoridate, O-ethyl-S-[2-(diethylamino)ethyl]methylphosphonothioate, O-ethyl-S-[2(diisopropylamino)ethyl] methylphosphonothioate, and O,O-diethyl-S-[2-(diethylamino)ethyl] phosphorothioate, through fluorescent emission.
The thermodynamics and kinetic parameters as well as spectroscopic properties of the complexes formed for 1 and all organophosphorus compounds previously cited were investigated by means of theoretical calculations.
From our findings, only the diethyl chlorophosphate, 2-(dimethylamino)ethyl N,N-dimethylphosphoramidofluoridate, and O,O-diethyl-S-[2-(diethylamino)ethyl] phosphorothioate emitted fluorescence in the hexane, toluene, chloroform, dichloromethane, methanol, acetonitrile, water, and dimethyl sulfoxide solvents.
The study of the absorption wavelength with the most polar solvent showed higher values compared to apolar solvents.
In the same solvent, for instance, soman in hexane showed the lowest absorption wavelength value, 324.5 nm, and DCP the highest value, 330.8 nm.
This behavior was observed in other tested solvents.
The thermodynamic parameters indicate negative Gibbs free energy (ΔG) values for the O-ethyl-S-[2(diisopropylamino)ethyl] methylphosphonothioate with 1 reaction.
On the other hand, the sarin and cyclosarin revealed the lowest Gibbs free energy (ΔG‡) values, being kinetically favorable and presenting more reactivity.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Braga, Letícia S.& Silva, Érika Ferreira& Mancini, Daiana T.& da Rocha, Eduardo P.& da Cunha, Elaine F. F.& Ramalho, Teodorico C.. 2020. Detection of Chemical Weapon Agents Using Spectroscopic Probes: A Computational Study. Journal of Chemistry،Vol. 2020, no. 2020, pp.1-11.
https://search.emarefa.net/detail/BIM-1181324
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Braga, Letícia S.…[et al.]. Detection of Chemical Weapon Agents Using Spectroscopic Probes: A Computational Study. Journal of Chemistry No. 2020 (2020), pp.1-11.
https://search.emarefa.net/detail/BIM-1181324
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Braga, Letícia S.& Silva, Érika Ferreira& Mancini, Daiana T.& da Rocha, Eduardo P.& da Cunha, Elaine F. F.& Ramalho, Teodorico C.. Detection of Chemical Weapon Agents Using Spectroscopic Probes: A Computational Study. Journal of Chemistry. 2020. Vol. 2020, no. 2020, pp.1-11.
https://search.emarefa.net/detail/BIM-1181324
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1181324
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر