The Effect of Molecular Conformation on the Accuracy of Theoretical 1H and 13C Chemical Shifts Calculated by Ab Initio Methods for Metabolic Mixture Analysis-Reference-Cited by-同舟云学术

The Effect of Molecular Conformation on the Accuracy of Theoretical 1H and 13C Chemical Shifts Calculated by Ab Initio Methods for Metabolic Mixture Analysis

Published:2016-03-31 Issue:14 Volume:120 Page:3479-3487
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chikayama Eisuke¹²,Shimbo Yudai³,Komatsu Keiko¹,Kikuchi Jun¹⁴⁵

Affiliation:

1. RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

2. Department of Information Systems, Niigata University of International and Information Studies, 3-1-1 Mizukino, Nishi-ku, Niigata, Niigata 950-2292, Japan

3. NEC Solution Innovators, Ltd., 2-2-41 Ekimae, Kashiwazaki, Niigata 945-0055, Japan

4. Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

5. Graduate School of Bioagricultural Sciences, Nagoya University, 1 Furo-cho, Chikusa-ku, Nagoya, Aichi 464-0810, Japan

Funder

Japan Society for the Promotion of Science

Cabinet Office, Government of Japan

National Agriculture and Food Research Organization

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.5b12748

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3. Multidimensional High-Resolution Magic Angle Spinning and Solution-State NMR Characterization of 13C-labeled Plant Metabolites and Lignocellulose

4. Profiling Planktonic Biomass Using Element-Specific, Multicomponent Nuclear Magnetic Resonance Spectroscopy

5. Evaluation and Characterization of Bacterial Metabolic Dynamics with a Novel Profiling Technique, Real-Time Metabolotyping

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