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Dergiler / Turkish Journal of Chemistry / 2002 / Cilt: 26 - Sayı: 3

Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives

Gustavo P. ROMANELLI
Juan Carlos AUTINO
Eduardo A. CASTRO
Sayfa
335–343
Yayın Tarihi
2022-11-04
DOI
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Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.

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Amaç & Hipotez:The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}).
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Temel Bulgular & Veri:Five quantum mechanical molecular descriptors are used to calculate the regression equations.
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Sonuç & Katkı:Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:QSRR - Quantum mechanical molecular descriptors - Retention Index - Bromo and Nitrile Derivatives · QSRR - Quantum mechanical molecular descriptors - Retention Index - Bromo and Nitrile Derivatives

Özet

The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}). Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.

Abstract

The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}). Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.

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Bu Makaleye Atıf Yap

ROMANELLI, G. P., AUTINO, J. C., CASTRO, E. A. (2022). Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives. Turkish Journal of Chemistry, Cilt: 26 - Sayı: 3, 335–343. https://ajindex.com/articles/602302

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