Search Results - "PESCITELLI, Gennaro"

ECD exciton chirality method today: a modern tool for determining absolute configurations by Pescitelli, Gennaro

“…The application of the exciton chirality method (ECM) to interpret electronic circular dichroism (ECD) spectra is a well‐established and still popular approach…”
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Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra by Pescitelli, Gennaro, Bruhn, Torsten

“…Quantum‐mechanical calculations of chiroptical properties have rapidly become the most popular method for assigning absolute configurations (AC) of organic…”
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For a Correct Application of the CD Exciton Chirality Method: The Case of Laucysteinamide A by Pescitelli, Gennaro

“…The circular dichroism (CD) exciton chirality method (ECM) is a very popular approach for assigning the absolute configuration (AC) of natural products, thanks…”
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Polarization spectroscopy methods in the determination of interactions of small molecules with nucleic acids - tutorial by Šmidlehner, Tamara, Piantanida, Ivo, Pescitelli, Gennaro

“…The structural characterization of non-covalent complexes between nucleic acids and small molecules (ligands) is of a paramount significance to bioorganic…”
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Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites by Superchi, Stefano, Scafato, Patrizia, Gorecki, Marcin, Pescitelli, Gennaro

“…Quantum mechanical simulations of chiroptical properties, such as electronic circular dichroism (ECD), optical rotation (OR), and vibrational circular…”
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Conformational aspects in the studies of organic compounds by electronic circular dichroism by Pescitelli, Gennaro, Di Bari, Lorenzo, Berova, Nina

“…The electronic circular dichroism (ECD) spectra of flexible molecules include the contributions of all conformers populated at the working temperature. ECD…”
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How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols by Padula, Daniele, Pescitelli, Gennaro

“…Chiroptical spectra such as electronic circular dichroism (ECD) are said to be much more sensitive to conformation than their non-chiroptical counterparts,…”
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Circularly polarized light at the mirror: Caveats and opportunities by Zinna, Francesco, Pescitelli, Gennaro, Di Bari, Lorenzo

“…Moving from the simple concept that reflection onto a mirror surface changes the handedness of circularly polarized light, we describe what happens to the…”
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Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study by Zinna, Francesco, Bruhn, Torsten, Guido, Ciro A., Ahrens, Johannes, Bröring, Martin, Di Bari, Lorenzo, Pescitelli, Gennaro

“…With our new home‐built circularly polarized luminescence (CPL) instrument, we measured fluorescence and CPL spectra of the enantiomeric pairs of two…”
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An Exciton-Coupled Circular Dichroism Protocol for the Determination of Identity, Chirality, and Enantiomeric Excess of Chiral Secondary Alcohols by You, Lei, Pescitelli, Gennaro, Anslyn, Eric V, Di Bari, Lorenzo

“…Chiral mono-ols are among the most sought after targets in asymmetric synthesis, and therefore, their chemical characterization and associated enantiomeric…”
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Vibrational Optical Activity of BODIPY Dimers: The Role of Magnetic–Electric Coupling in Vibrational Excitons by Abbate, Sergio, Bruhn, Torsten, Pescitelli, Gennaro, Longhi, Giovanna

“…The vibrational exciton (VE) interpretation of intense bisignated couplets in vibrational circular dichroism (VCD) spectra of a pair of atropisomeric BODIPY…”
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Axially Chiral BODIPY DYEmers: An Apparent Exception to the Exciton Chirality Rule by Bruhn, Torsten, Pescitelli, Gennaro, Jurinovich, Sandro, Schaumlöffel, Anu, Witterauf, Franziska, Ahrens, Johannes, Bröring, Martin, Bringmann, Gerhard

“…The exciton chirality method (ECM) is commonly recognized as one of the best approaches to assign the absolute configuration of biaryls. This paper reports the…”
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In Situ Assembly of Octahedral Fe(II) Complexes for the Enantiomeric Excess Determination of Chiral Amines Using Circular Dichroism Spectroscopy by Dragna, Justin M, Pescitelli, Gennaro, Tran, Lee, Lynch, Vincent M, Anslyn, Eric V, Di Bari, Lorenzo

“…A method for discriminating between α-chiral primary amine enantiomers is reported. The method utilizes circular dichroism (CD) spectroscopy and a sensing…”
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Exploiting isohexide scaffolds for the preparation of chiral ionic liquids tweezers by Zullo, Valerio, Górecki, Marcin, Guazzelli, Lorenzo, Mezzetta, Andrea, Pescitelli, Gennaro, Iuliano, Anna

“…New bis-quinolinium chiral ionic liquids (CILs) were synthesized in good yields starting from isomannide and isosorbide by a straightforward procedure that…”
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The Exciton Origin of the Visible Circular Dichroism Spectrum of Bacteriorhodopsin by Pescitelli, Gennaro, Woody, Robert W

“…The visible CD spectrum of bacteriorhodpsin (bR) in purple membrane has a negative CD band at ∼600 nm and a positive band at ∼530 nm and has been variously…”
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A 2D chiral microcavity based on apparent circular dichroism by Chen, Tzu-Ling, Salij, Andrew, Parrish, Katherine A., Rasch, Julia K., Zinna, Francesco, Brown, Paige J., Pescitelli, Gennaro, Urraci, Francesco, Aronica, Laura A., Dhavamani, Abitha, Arnold, Michael S., Wasielewski, Michael R., di Bari, Lorenzo, Tempelaar, Roel, Goldsmith, Randall H.

“…Engineering asymmetric transmission between left-handed and right-handed circularly polarized light in planar Fabry–Pérot (FP) microcavities would enable a…”
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Phytotoxic Activity of Metabolites Isolated from Rutstroemia sp.n. , the Causal Agent of Bleach Blonde Syndrome on Cheatgrass ( Bromus tectorum ) by Masi, Marco, Meyer, Susan, Górecki, Marcin, Pescitelli, Gennaro, Clement, Suzette, Cimmino, Alessio, Evidente, Antonio

“…A fungal pathogen soon to be described as (Rutstroemiaceae, Helotiales, Leotiomycetes) has been identified as the causal agent of 'bleach blonde syndrome' on…”
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Synthesis, Absolute Configuration, Biological Profile and Antiproliferative Activity of New 3,5-Disubstituted Hydantoins by Jurin, Mladenka, Čikoš, Ana, Stepanić, Višnja, Górecki, Marcin, Pescitelli, Gennaro, Kontrec, Darko, Jakas, Andreja, Dražić, Tonko, Roje, Marin

“…Hydantoins, a class of five-membered heterocyclic compounds, exhibit diverse biological activities. The aim of this study was to synthesize and characterize a…”
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Electronic Circular Dichroism in Exciton-Coupled Dimers: Vibronic Spectra from a General All-Coordinates Quantum-Dynamical Approach by Padula, Daniele, Picconi, David, Lami, Alessandro, Pescitelli, Gennaro, Santoro, Fabrizio

“…We present a computational approach of general applicability to simulate the vibronic line shapes of absorption and electronic circular dichroism (ECD) spectra…”
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New Mono- and Dimeric Members of the Secalonic Acid Family: Blennolides A-G Isolated from the Fungus Blennoria sp by Zhang, Wen, Krohn, Karsten, Zia-Ullah, Flörke, Ulrich, Pescitelli, Gennaro, Di Bari, Lorenzo, Antus, Sándor, Kurtán, Tibor, Rheinheimer, Joachim, Draeger, Siegfried, Schulz, Barbara

“…Blennolides A–G (2–8), seven unusual chromanones, were isolated together with secalonic acid B (1) from Blennoria sp., an endophytic fungus from Carpobrotus…”
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