کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5747862 1618917 2018 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Pre-selection and assessment of green organic solvents by clustering chemometric tools
ترجمه فارسی عنوان
پیش انتخاب و ارزیابی حلال های آلی سبز با خوشه بندی ابزارهای شیمی
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم محیط زیست شیمی زیست محیطی
چکیده انگلیسی


- Pre-selection of green organic solvents;solvents.
- Аpplication of chemometric and QSAR tools for for predicting missing;variables.
- Assessment of chemicals in terms of their greenness.

The study presents the result of the application of chemometric tools for selection of physicochemical parameters of solvents for predicting missing variables - bioconcentration factors, water-octanol and octanol-air partitioning constants. EPI Suite software was successfully applied to predict missing values for solvents commonly considered as “green”. Values for logBCF, logKOW and logKOA were modelled for 43 rather nonpolar solvents and 69 polar ones. Application of multivariate statistics was also proved to be useful in the assessment of the obtained modelling results. The presented approach can be one of the first steps and support tools in the assessment of chemicals in terms of their greenness.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Ecotoxicology and Environmental Safety - Volume 147, January 2018, Pages 292-298
نویسندگان
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