Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/ac00149a011 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals.
J Comput Chem
January 2025
Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, Virginia, USA.
The energies and geometries of the lowest lying singlet and triplet states of the four diradicals formed by removing two H atoms from thiophene have been characterized. We utilized the highly correlated, multireference methods configuration interaction with single and double excitations with and without the Pople correction for size-extensivity (MR-CISD+Q and MR-CISD) and averaged quadratic coupled cluster theory (MR-AQCC). CAS (8,7) and CAS (10,8) active spaces involving σ, σ*, π, and π* orbitals were employed along with the cc-pVDZ and cc-pVTZ basis sets.
View Article and Find Full Text PDFUncommon Diterpenoids with Diverse Frameworks from the South China Sea Sponge and Their Anti-inflammatory Activities.
J Org Chem
January 2025
School of Medicine, Shanghai University, 99 Shangda Road, BaoShan District, Shanghai 200444, China.
Uncommon diterpenoids with diverse frameworks, including one unexpected iodinated oxa-6/6/6/6-tetracyclic diterpene () and its monobrominated 6/6/6-tricyclic analogue () and one novel isodolastane-type diterpene featuring an unusual aromatic 5/7/6-tricyclic ring system () as well as a related known dolastane-type diterpenoid (), were isolated from the South China Sea sponge . Their structures, including absolute configurations, were established by extensive spectroscopic data analysis, X-ray diffraction analysis, and quantum mechanical-nuclear magnetic resonance and time-dependent density functional theory/electronic circular dichroism calculations. A plausible biosynthetic pathway of new compounds - was proposed.
View Article and Find Full Text PDFAnthoteibinenes F-Q: New Sesquiterpenes from the Irish Deep-Sea Coral .
Mar Drugs
January 2025
Department of Chemistry, University of South Florida, 4202 E. Fowler Avenue, CHE205, Tampa, FL 33620, USA.
New technology has opened opportunities for research and exploration of deep-water ecosystems, highlighting deep-sea coral reefs as a rich source of novel bioactive natural products. During our ongoing investigation of the chemodiversity of the Irish deep sea and the soft coral we report 12 unreported cadinene-like functionalized sesquiterpenes, anthoteibinenes F-Q. The metabolites were isolated using both bioassay- and H NMR-guided approaches.
View Article and Find Full Text PDFSyntheses of Marine Natural Products via Matteson Homologations and Related Processes.
Mar Drugs
January 2025
Organic Chemistry, Saarland University, Campus Building C4.2, D-66123 Saarbruecken, Germany.
Matteson homologation, a successive extension of chiral boronic esters, is perfectly suited for the synthesis of complex molecular structures containing several stereogenic centers. The "classical version" allows the introduction of various functional groups in a 1,2--configuration. The absolute configuration is determined by the choice of the chiral auxiliary, which can be used to introduce several stereogenic centers.
View Article and Find Full Text PDFFive New Indole Alkaloid Derivatives from Deep-Sea Fungus AF1.
Mar Drugs
December 2024
School of Pharmaceutical Sciences, GBRCE for Functional Molecular Engineering, Sun Yat-sen University, Guangzhou 510006, China.
One new gliotoxin derivative fumianthrogliotoxin (), one new indoquizoline alkaloid 3-(methyl propionate) indoquizoline (), and three novel indole alkaloids, anthroxyindole (), (±)-asperfumiindole A (), and (±)-asperfumiindole B (), together with 16 known compounds (-), were isolated from the culture of deep-sea derived fungus AF1. Their chemical structures and absolute configurations were determined through the analysis of NMR data in combination with electronic circular dichroism (ECD) calculations and other spectroscopic analyses. Compounds - and - were evaluated for anti-pulmonary fibrosis activity.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!