DFT Calculations of <sup>1</sup>H- and <sup>13</sup>C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 &#969;-7) and Model Compounds in Solution.

Venianakis, Themistoklis; Oikonomaki, Christina; Siskos, Michael G; Varras, Panayiotis C; Primikyri, Alexandra; Alexandri, Eleni; Gerothanassis, Ioannis P

DFT Calculations of ¹H- and ¹³C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 ω-7) and Model Compounds in Solution.

Venianakis, Themistoklis; Oikonomaki, Christina; Siskos, Michael G; Varras, Panayiotis C; Primikyri, Alexandra; Alexandri, Eleni; Gerothanassis, Ioannis P.

Afiliação

Venianakis T; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.
Oikonomaki C; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.
Siskos MG; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.
Varras PC; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.
Primikyri A; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.
Alexandri E; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.
Gerothanassis IP; Section of Organic Chemistry and Biochemistry, Department of Chemistry, University of Ioannina, GR-45110 Ioannina, Greece.

Molecules ; 25(16)2020 Aug 11.

Article em En | MEDLINE | ID: mdl-32796664

Assuntos

Isótopos de Carbono/análise; Teoria da Densidade Funcional; Ácidos Linoleicos Conjugados/química; Espectroscopia de Ressonância Magnética/métodos; Prótons; Estereoisomerismo

Palavras-chave

CLA; DFT; GIAO; NMR; chemical shifts

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Prótons / Isótopos de Carbono / Espectroscopia de Ressonância Magnética / Ácidos Linoleicos Conjugados / Teoria da Densidade Funcional Tipo de estudo: Prognostic_studies Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Grécia

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