Results 21 to 30 of about 16,341 (199)
Molecules, 2021 Three new polyene compounds, talacyanols A–C (1–3), along with two known compounds, ramulosin (4) and eurothiocin A (5), were isolated from the marine fungus Talaromyces cyanescens derived from a seaweed Caulerpa sp. Structures of 1–5 were established by
Hee Jae Shin +7 more
doaj +1 more source
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes [PDF]
, 2016 We have implemented internally contracted complete active space second order perturbation theory (CASPT2) with the density matrix renormalization group (DMRG) as active space solver [Y. Kurashige and T. Yanai, J. Chem. Phys.
Van Neck, Dimitri +2 more
core +2 more sources
Antibiotics, 2021 Novel biodegradable and biocompatible formulations of “old” but “gold” drugs such as nystatin (Nys) and amphotericin B (AmB) were made using a biopolymer as a matrix.
Marina Pekmezovic +9 more
doaj +1 more source
Excited state geometry optimization with the density matrix renormalization group as applied to polyenes [PDF]
, 2015 We describe and extend the formalism of state-specific analytic density matrix renormalization group (DMRG) energy gradients, first used by Liu et al (J. Chem. Theor.Comput. 9, 4462 (2013)).
Chan, Garnet Kin-Lic, Hu, Weifeng
core +4 more sources
Antifungal Combinations against Candida Species: From Bench to Bedside
Journal of Fungi, 2022 Candida spp. is the major causative agent of fungal infections in hospitalized patients and the fourth most common cause of nosocomial bloodstream infection (BSI).
Simona Fioriti +5 more
doaj +1 more source
Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and \beta-carotene [PDF]
, 2007 In previous work we have shown that the Density Matrix Renormalization Group (DMRG) enables near-exact calculations in active spaces much larger than are possible with traditional Complete Active Space algorithms.
Debashree Ghosh +5 more
core +3 more sources
Nonlinear optical properties of push–pull polyenes for electro-optics [PDF]
, 1996 Improved nonlinear organic chromophores of varying conjugation length with either thiobarbituric acid or 3-dicyanomethylene-2,3-dihydrobenzothiophene-1,1-dioxide (FORON® Blue) acceptors have been synthesized and investigated for their nonlinear optical ...
Ahlheim, M. +7 more
core +1 more source
Frontiers in Microbiology, 2021 Fungus-growing termites are engaged in a tripartite mutualism with intestinal microbes and a monocultivar (Termitomyces sp.) in the fungus garden. The termites are often plagued by entomopathogen (Metarhizium anisopliae) and fungus garden is always ...
Jingjing Li +8 more
doaj +1 more source
Two-photon spectroscopy of dipole-forbidden transitions. I. Dipole-forbidden transitions and double excited configurations in the CNDO-CI methods [PDF]
, 1979 The applicability was investigated of CNDO/S-type methods for the calcn. of optical spectra of mols. with the special implication that the calcns. should not only describe the intense, dipole-allowed transitions which dominate the 1-photon absorption ...
Dick, Bernhard, Hohlneicher, Georg
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Epipyrone A, a Broad-Spectrum Antifungal Compound Produced by Epicoccum nigrum ICMP 19927
Molecules, 2020 We have isolated a filamentous fungus that actively secretes a pigmented exudate when growing on agar plates. The fungus was identified as being a strain of Epicoccum nigrum. The fungal exudate presented strong antifungal activity against both yeasts and
Alex J. Lee +5 more
doaj +1 more source