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

G Bifulco, P Dambruoso, L Gomez-Paloma… - Chemical …, 2007 - ACS Publications
Stereochemical features have a profound impact on a variety of molecular properties, such
as chemical reactivity and catalytic, biological, and pharmacological activities. In light of the …

Structure Validation of Natural Products by Quantum‐Mechanical GIAO Calculations of 13C NMR Chemical Shifts

G Barone, L GomezPaloma, D Duca… - … A European Journal, 2002 - Wiley Online Library
Geometry optimization and GIAO (gauge including atomic orbitals) 13 C NMR chemical shift
calculations at Hartree–Fock level, using the 6‐31G(d) basis set, are proposed as a tool to …

Determination of the Relative Stereochemistry of Flexible Organic Compounds by Ab Initio Methods: Conformational Analysis and Boltzmann‐Averaged GIAO 13C …

…, D Duca, A Silvestri, L GomezPaloma… - … A European Journal, 2002 - Wiley Online Library
Ab initio calculations at the Hartree–Fock level with full‐geometry optimization using the 6‐31G(d)
basis set, and GIAO (gauge including atomic orbitals) 13 C NMR chemical shifts, are …

Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products

P Cimino, L GomezPaloma, D Duca… - Magnetic …, 2004 - Wiley Online Library
The influence of the calculation method in mimicking experimental 13 C NMR chemical
shifts of 15 low‐polarity natural products singularly containing 10–20 carbon atoms was …

Callipeltin A, an Anti-HIV Cyclic Depsipeptide from the New Caledonian Lithistida Sponge Callipelta sp.

A Zampella, MV D'Auria, LG Paloma… - Journal of the …, 1996 - ACS Publications
Callipeltin A (1) is a cyclic depsidecapeptide from a shallow water sponge of the genus
Callipelta (order Lithistida), collected in the waters off New Caledonia. The structure of callipeltin …

Dragmacidin F: a new antiviral bromoindole alkaloid from the Mediterranean sponge Halicortex sp.

…, G Bifulco, I Bruno, A Casapullo, L Gomez-Paloma… - Tetrahedron, 2000 - Elsevier
A new bromoindole alkaloid, named dragmacidin F (1) and structurally related to other
dragmacidins previously described, was isolated from a marine sponge of the genus Halicortex …

Halipeptins A and B:  Two Novel Potent Anti-inflammatory Cyclic Depsipeptides from the Vanuatu Marine Sponge Haliclona species

…, C Debitus, G Cirino, L Gomez-Paloma - Journal of the …, 2001 - ACS Publications
Two new metabolites, named halipeptins A and B, have been isolated from the marine
sponge Haliclona sp. Their structures were determined by extensive use of one- and two-…

Tolaasins A−E, Five New Lipodepsipeptides Produced by Pseudomonas tolaasii

…, NS Iacobellis, R Riccio, L Gomez-Paloma… - Journal of natural …, 2004 - ACS Publications
Pseudomonas tolaasii, the causal organism of brown blotch disease of Agaricus bisporus
and of the yellowing of Pleurotus ostreatus, was shown to produce in culture tolaasin I (1), …

Effects of petrosaspongiolide M, a novel phospholipase A2 inhibitor, on acute and chronic inflammation

P Garcia-Pastor, A Randazzo, L Gomez-Paloma… - … of Pharmacology and …, 1999 - ASPET
The marine product petrosaspongiolide M is a novel inhibitor of phospholipase A 2 (PLA 2 ),
showing selectivity for secretory PLA 2 versus cytosolic PLA 2 , with a potency on the …

Petrosaspongiolides M−R:  New Potent and Selective Phospholipase A2 Inhibitors from the New Caledonian Marine Sponge Petrosaspongia nigra

…, MJ Alcaraz, M Payá, L Gomez-Paloma - Journal of natural …, 1998 - ACS Publications
Five new bioactive sesterterpenes (1−5) have been isolated from the New Caledonian
marine sponge Petrosaspongia nigra Bergquist and named petrosaspongiolides M−R. Their …