(Q41916413)

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Stereochemistry of complex marine natural products by quantum mechanical calculations of NMR chemical shifts: solvent and conformational effects on okadaic acid

scientific article published on 7 January 2014

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

14 October 2017

Stereochemistry of complex marine natural products by quantum mechanical calculations of NMR chemical shifts: solvent and conformational effects on okadaic acid (English)

1 reference

Europe PubMed Central

PMC publication ID

14 October 2017

marine natural product

0 references

natural product

1 reference

based on heuristic

inferred from title

natural product chemistry

1 reference

based on heuristic

inferred from title

José J Fernández

6

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

author name string

Humberto J Domínguez

1

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

Guillermo D Crespín

2

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

Adrián J Santiago-Benítez

3

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

José A Gavín

4

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

Manuel Norte

5

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

Antonio Hernández Daranas

7

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

publication date

7 January 2014

1 reference

Europe PubMed Central

PMC publication ID

14 October 2017

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

12

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

1

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

176-192

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

copyright license

Creative Commons Attribution 4.0 International

7 January 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

0 references

Using NMR to identify and characterize natural products

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Addressing the stereochemistry of complex organic molecules by density functional theory-NMR: vannusal B in retrospective

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Dinoflagellate polyether within the yessotoxin, pectenotoxin and okadaic acid toxin groups: characterization, analysis and human health implications.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Calculating accurate proton chemical shifts of organic molecules with density functional methods and modest basis sets.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Marine macrolides, a promising source of antitumor compounds.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Drug development from marine natural products

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Prediction of the 1H and 13C NMR spectra of alpha-D-glucose in water by DFT methods and MD simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Toxic marine microalgae.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

5 June 2018

Corozalic acid: a key okadaic acid biosynthetic precursor with phosphatase inhibition activity.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

18 August 2018

Assigning the stereochemistry of pairs of diastereoisomers using GIAO NMR shift calculation.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

18 August 2018

Toward the complete prediction of the 1H and 13C NMR spectra of complex organic molecules by DFT methods: application to natural substances.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

18 August 2018

Calculated and experimental NMR chemical shifts of p-menthane-3,9-diols. A combination of molecular dynamics and quantum mechanics to determine the structure and the solvent effects.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3917268

18 August 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.3390%2FMD12010176

21 January 2018

Okadaic acid, a cytotoxic polyether from two marine sponges of the genus Halichondria

1 reference

https://api.crossref.org/works/10.3390%2FMD12010176

21 January 2018

Computational Analysis of Solvent Effects in NMR Spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Elimination of zero-quantum interference in two-dimensional NMR spectra

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Stereochemical Determination of Acyclic Structures Based on Carbon-Proton Spin-Coupling Constants. A Method of Configuration Analysis for Natural Products

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Marine natural products

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Connecting discrete stereoclusters by using DFT and NMR spectroscopy: the case of nivariol

1 reference

https://pubmed.ncbi.nlm.nih.gov/24402177

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.3390/MD12010176

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24402177%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

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