Opportunities and Limitations for Assigning Relative Configurations of Antibacterial Bislactones using GIAO NMR Shift Calculations

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

(2020) Patrick H. Willoughby et al.   Nature Protocols

New β-Lactone with Tea Pathogenic Fungus Inhibitory Effect from Marine-Derived Fungus MCCC3A00957

(2019) Xi-Xiang Tang et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Efficient Protocol for Accurately Calculating 13C Chemical Shifts of Conformationally Flexible Natural Products: Scope, Assessment, and Limitations

(2019) Warren Hehre et al.   JOURNAL OF NATURAL PRODUCTS

Cordybislactone, a stereoisomer of the 14-membered bislactone clonostachydiol, from the hopper pathogenic fungus Cordyceps sp. BCC 49294: revision of the absolute configuration of clonostachydiol

(2018) Ken-ichi Ojima et al.   JOURNAL OF ANTIBIOTICS

Media studies to enhance the production of verticillins facilitated by in situ chemical analysis

(2018) Chiraz Soumia M. Amrine et al.   JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY

LC-MS/MS-Based Separation and Quantification of Marfey’s Reagent Derivatized Proteinogenic Amino Acid dl-Stereoisomers

(2018) Navid J. Ayon et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Enhanced dereplication of fungal cultures via use of mass defect filtering

(2017) Noemi D Paguigan et al.   JOURNAL OF ANTIBIOTICS

Fungal Identification Using Molecular Tools: A Primer for the Natural Products Research Community

(2017) Huzefa A. Raja et al.   JOURNAL OF NATURAL PRODUCTS

Scaffold Diversity of Fungal Metabolites

(2017) Mariana González-Medina et al.   Frontiers in Pharmacology

Chemoinformatic expedition of the chemical space of fungal products

(2016) Mariana González-Medina et al.   Future Medicinal Chemistry

A platform for the discovery of new macrolide antibiotics

(2016) Ian B. Seiple et al.   NATURE

Total synthesis of (−)-(6R,11R,14S)-colletallol via proline catalyzed α-aminoxylation and Yamaguchi macrolactonization

(2016) Shruti Vandana Kauloorkar et al.   RSC Advances

Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts

(2015) Nicolás Grimblat et al.   JOURNAL OF ORGANIC CHEMISTRY

Identification and structure elucidation by NMR spectroscopy

(2015) Mikhail Elyashberg   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Greensporones: Resorcylic Acid Lactones from an Aquatic Halenospora sp.

(2014) Tamam El-Elimat et al.   JOURNAL OF NATURAL PRODUCTS

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

(2014) Patrick H Willoughby et al.   Nature Protocols

SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra

(2013) Torsten Bruhn et al.   CHIRALITY

Stereoselective Total Synthesis of 4-Ketoclonostachydiol

(2013) Singanaboina Rajaram et al.   HELVETICA CHIMICA ACTA

High-Resolution MS, MS/MS, and UV Database of Fungal Secondary Metabolites as a Dereplication Protocol for Bioactive Natural Products

(2013) Tamam El-Elimat et al.   JOURNAL OF NATURAL PRODUCTS

MAFFT Multiple Sequence Alignment Software Version 7: Improvements in Performance and Usability

(2013) K. Katoh et al.   MOLECULAR BIOLOGY AND EVOLUTION

Absolute Configuration of Isosilybin A by X-ray Crystallography of the Heavy Atom Analogue 7-(4-Bromobenzoyl)isosilybin A

(2012) Arlene A. Sy-Cordero et al.   JOURNAL OF NATURAL PRODUCTS

Nuclear ribosomal internal transcribed spacer (ITS) region as a universal DNA barcode marker for Fungi

(2012) C. L. Schoch et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Chemical Diversity of Metabolites from Fungi, Cyanobacteria, and Plants Relative to FDA-Approved Anticancer Agents

(2012) Tamam El-Elimat et al.   ACS Medicinal Chemistry Letters

Use of Marfey's reagent and analogs for chiral amino acid analysis: Assessment and applications to natural products and biological systems

(2011) R. Bhushan et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Optical Rotation Calculated with Time-Dependent Density Functional Theory: The OR45 Benchmark

(2011) Monika Srebro et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Review of Macrolides (Azithromycin, Clarithromycin), Ketolids (Telithromycin) and Glycylcyclines (Tigecycline)

(2011) Jerry M. Zuckerman et al.   MEDICAL CLINICS OF NORTH AMERICA

Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

(2010) Xing-Cong Li et al.   CURRENT ORGANIC CHEMISTRY

Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability

(2010) Steven G. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Relative Configuration of Natural Products Using NMR Chemical Shifts

(2009) Bing Wang et al.   JOURNAL OF NATURAL PRODUCTS

Asymmetric Total Synthesis and Revision of the Absolute Configuration of 4-Keto-Clonostachydiol

(2009) Junjie Han et al.   JOURNAL OF ORGANIC CHEMISTRY

Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation

(2009) Steven G. Smith et al.   JOURNAL OF ORGANIC CHEMISTRY

X-ray crystallography of chemical compounds

(2009) Jeffrey R. Deschamps   LIFE SCIENCES

Studies directed toward the first total synthesis of acremodiol and acremonol

(2009) Gangavaram V.M. Sharma et al.   TETRAHEDRON-ASYMMETRY

A Rapid Bootstrap Algorithm for the RAxML Web Servers

(2008) Alexandros Stamatakis et al.   SYSTEMATIC BIOLOGY