Towards Elucidating Structure-Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate <sup>13</sup>C and <sup>1</sup>H Shifts for Apiose and Its Borate Esters.

Bharadwaj, Vivek S; Westawker, Luke P; Crowley, Michael F

Towards Elucidating Structure-Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate ¹³C and ¹H Shifts for Apiose and Its Borate Esters.

Bharadwaj, Vivek S; Westawker, Luke P; Crowley, Michael F.

Afiliación

Bharadwaj VS; Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, CO, United States.
Westawker LP; Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, CO, United States.
Crowley MF; Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, CO, United States.

Front Mol Biosci ; 8: 756219, 2021.

Article en En | MEDLINE | ID: mdl-35141275

Palabras clave

1H and 13C; Apiose; Borate; DFT; Gauge invariance approach; NMR chemical shifts; Quantum chemistry; Rhamnogalacturonan II

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Mol Biosci Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Suiza

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