Literature DB >> 27189124

Using quantum chemical computations of NMR chemical shifts to assign relative configurations of terpenes from an engineered Streptomyces host.

Q Nhu N Nguyen1, Dean J Tantillo1.   

Abstract

Density functional theory calculations of (1)H and (13)C chemical shifts are used to assign the relative configurations of isohirsut-1-ene, isohirsut-4-ene and tsukubadiene, three terpenes previously isolated from an engineered Streptomyces.

Entities:  

Mesh：

Substances：

Year:  2016        PMID： 27189124     DOI： 10.1038/ja.2016.51

Source DB:  PubMed          Journal:  J Antibiot (Tokyo)        ISSN： 0021-8820            Impact factor:   2.649


  21 in total

1.  Assigning stereochemistry to single diastereoisomers by GIAO NMR calculation: the DP4 probability.

Authors:  Steven G Smith; Jonathan M Goodman
Journal:  J Am Chem Soc       Date:  2010-09-22       Impact factor: 15.419

2.  Determination of the absolute configurations of natural products via density functional theory calculations of optical rotation, electronic circular dichroism, and vibrational circular dichroism: the cytotoxic sesquiterpene natural products quadrone, suberosenone, suberosanone, and suberosenol A acetate.

Authors:  P J Stephens; D M McCann; F J Devlin; A B Smith
Journal:  J Nat Prod       Date:  2006-07       Impact factor: 4.050

3.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1988-01-15

Review 4.  The family of terpene synthases in plants: a mid-size family of genes for specialized metabolism that is highly diversified throughout the kingdom.

Authors:  Feng Chen; Dorothea Tholl; Jörg Bohlmann; Eran Pichersky
Journal:  Plant J       Date:  2011-04       Impact factor: 6.417

Review 5.  Diversity and analysis of bacterial terpene synthases.

Authors:  Yuuki Yamada; David E Cane; Haruo Ikeda
Journal:  Methods Enzymol       Date:  2012       Impact factor: 1.600

Review 6.  Computational prediction of 1H and 13C chemical shifts: a useful tool for natural product, mechanistic, and synthetic organic chemistry.

Authors:  Michael W Lodewyk; Matthew R Siebert; Dean J Tantillo
Journal:  Chem Rev       Date:  2011-11-17       Impact factor: 60.622

7.  A guide to small-molecule structure assignment through computation of (¹H and ¹³C) NMR chemical shifts.

Authors:  Patrick H Willoughby; Matthew J Jansma; Thomas R Hoye
Journal:  Nat Protoc       Date:  2014-02-20       Impact factor: 13.491

8.  The correct structure of aquatolide-experimental validation of a theoretically-predicted structural revision.

Authors:  Michael W Lodewyk; Cristian Soldi; Paul B Jones; Marilyn M Olmstead; Juan Rita; Jared T Shaw; Dean J Tantillo
Journal:  J Am Chem Soc       Date:  2012-11-05       Impact factor: 15.419

9.  Formation of the unusual semivolatile diterpene rhizathalene by the Arabidopsis class I terpene synthase TPS08 in the root stele is involved in defense against belowground herbivory.

Authors:  Martha M Vaughan; Qiang Wang; Francis X Webster; Dave Kiemle; Young J Hong; Dean J Tantillo; Robert M Coates; Austin T Wray; Whitnee Askew; Christopher O'Donnell; James G Tokuhisa; Dorothea Tholl
Journal:  Plant Cell       Date:  2013-03-19       Impact factor: 11.277

10.  Caryolene-forming carbocation rearrangements.

Authors:  Quynh Nhu N Nguyen; Dean J Tantillo
Journal:  Beilstein J Org Chem       Date:  2013-02-13       Impact factor: 2.883
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.