List of works - Adalgisa Sinicropi

A comparison of carboxypyridine isomers as sensitizers for dye-sensitized solar cells: assessment of device efficiency and stability

A novel biomimetic photochemical switch at work: design of a photomodulable peptide

article by Adalgisa Sinicropi et al published 2009 in Photochemical and Photobiological Sciences

An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds

scholarly article

An unusual thiazolo[5,4-d]thiazole sensitizer for dye-sensitized solar cells

Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches

scientific article

Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.

scientific article published on March 2015

Characterization of radical intermediates in laccase-mediator systems. A multifrequency EPR, ENDOR and DFT/PCM investigation

scientific article

Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory

Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein

scientific article published on 16 September 2015

Computational Investigation of Photochemical Reaction Mechanisms

Computational study on the origin of the stereoselectivity for the photochemical denitrogenation of diazabicycloheptene

scientific article published in September 2003

Copper-induced structural propensities of the amyloidogenic region of human prion protein

article

DFT modeling of structures and redox potentials of wild-type, Nickel-substituted and mutated (N47S/M121L, HPAz) Azurin

scholarly article by Adalgisa Sinicropi published January 2018 in Inorganica Chimica Acta

EPR parameters of amino acid radicals in P. eryngii versatile peroxidase and its W164Y variant computed at the QM/MM level

article published in 2011

Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin

scientific article published in 2013

Environmental analysis of a nano-grid: A Life Cycle Assessment

scientific article published on 21 October 2019

Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study.

scientific article published on 5 August 2014

Excited state quenching via “unsuccessful” chemical reactions

scientific article published on 01 August 2002

Formation of a tyrosine adduct involved in lignin degradation by Trametopsis cervina lignin peroxidase: a novel peroxidase activation mechanism.

scientific article published in June 2013

In silico spectroscopy of tryptophan and tyrosine radicals involved in the long-range electron transfer of cytochrome c peroxidase

scientific article published in August 2014

Insights into the homocoupling reaction of 4-methylamino benzoic acid mediated by Trametes versicolor laccase.

scientific article

Life Cycle Inventories datasets for future European electricity mix scenarios

scientific article published on 08 April 2020

Mechanism of the Norrish-Yang photocyclization reaction of an alanine derivative in the singlet state: origin of the chiral-memory effect

scientific article

Modeling the fluorescence of protein-embedded tryptophans with ab initio multiconfigurational quantum chemistry: the limiting cases of parvalbumin and monellin

scientific article published in December 2009

Modeling, preparation, and characterization of a dipole moment switch driven by Z/E photoisomerization

scientific article published on July 2010

Organic Chromophores Based on a Fused Bis-Thiazole Core and Their Application in Dye-Sensitized Solar Cells

article

Organic dyes with intense light absorption especially suitable for application in thin-layer dye-sensitized solar cells

article

Photoinduced excitation and charge transfer processes of organic dyes with siloxane anchoring groups: a combined spectroscopic and computational study.

scientific article

Photoisomerization acceleration in retinal protonated Schiff-base models

scientific article

Prediction of hydrogen-bonding networks around tyrosyl radical inP. eryngiiversatile peroxidase W164Y variants: a QM/MM MD study

Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level.

scientific article published in August 2005

Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch

scholarly article by Flavio Lumento et al published 8 January 2007 in Angewandte Chemie International Edition

Recent applications of a QM/MM scheme at the CASPT2//CASSCF/AMBER (or CHARMM) level of theory in photochemistry and photobiology

Redox-Active Sites in Auricularia auricula-judae Dye-Decolorizing Peroxidase and Several Directed Variants: A Multifrequency EPR Study

scientific article published on 9 July 2015

Spectroscopic and computational characterization of laccases and their substrate radical intermediates

scientific article

Structural studies in solution and in the solid state on the zinc chelate of 2-hydroxy-(4-methylthio)butanoic acid, an effective mineral supplement in animal feeding

article published in 2009

Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins

scientific article published in January 2004

Synthesis and Characterization of New Organic Dyes Containing the Indigo Core

scientific article published on 25 July 2020

The critical issue of using lead for sustainable massive production of perovskite solar cells: a review of relevant literature

scientific article published in 2021

The nature of tryptophan radicals involved in the long-range electron transfer of lignin peroxidase and lignin peroxidase-like systems: Insights from quantum mechanical/molecular mechanics simulations

scientific article published on 2 March 2012

Thecis/trans isomerization of Cu(II)–bis-(glycinato) complex in solution: a computer aided multifrequency EPR and DFT/PCM calculation study

article

Thiazolo[5,4-d]thiazole-based organic sensitizers with strong visible light absorption for transparent, efficient and stable dye-sensitized solar cells

article

Toward a computational photobiology

Toward accurate computations in photobiology

Two New Dyes with Carboxypyridinium Regioisomers as Anchoring Groups for Dye-Sensitized Solar Cells

Tyrosine or Tryptophan? Modifying a Metalloradical Catalytic Site by Removal of the Cys-Tyr Cross-Link in the Galactose 6-Oxidase Homologue GlxA.

scientific article

List of works by Adalgisa Sinicropi

A comparison of carboxypyridine isomers as sensitizers for dye-sensitized solar cells: assessment of device efficiency and stability

A novel biomimetic photochemical switch at work: design of a photomodulable peptide

An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds

An unusual thiazolo[5,4-d]thiazole sensitizer for dye-sensitized solar cells

Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches

Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.

Characterization of radical intermediates in laccase-mediator systems. A multifrequency EPR, ENDOR and DFT/PCM investigation

Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory

Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein

Computational Investigation of Photochemical Reaction Mechanisms

Computational study on the origin of the stereoselectivity for the photochemical denitrogenation of diazabicycloheptene

Copper-induced structural propensities of the amyloidogenic region of human prion protein

DFT modeling of structures and redox potentials of wild-type, Nickel-substituted and mutated (N47S/M121L, HPAz) Azurin

EPR parameters of amino acid radicals in P. eryngii versatile peroxidase and its W164Y variant computed at the QM/MM level

Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin

Environmental analysis of a nano-grid: A Life Cycle Assessment

Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study.

Excited state quenching via “unsuccessful” chemical reactions

Formation of a tyrosine adduct involved in lignin degradation by Trametopsis cervina lignin peroxidase: a novel peroxidase activation mechanism.

In silico spectroscopy of tryptophan and tyrosine radicals involved in the long-range electron transfer of cytochrome c peroxidase

Insights into the homocoupling reaction of 4-methylamino benzoic acid mediated by Trametes versicolor laccase.

Life Cycle Inventories datasets for future European electricity mix scenarios

Mechanism of the Norrish-Yang photocyclization reaction of an alanine derivative in the singlet state: origin of the chiral-memory effect

Modeling the fluorescence of protein-embedded tryptophans with ab initio multiconfigurational quantum chemistry: the limiting cases of parvalbumin and monellin

Modeling, preparation, and characterization of a dipole moment switch driven by Z/E photoisomerization

Organic Chromophores Based on a Fused Bis-Thiazole Core and Their Application in Dye-Sensitized Solar Cells

Organic Chromophores Based on a Fused Bis-Thiazole Core and Their Application in Dye-Sensitized Solar Cells

Organic dyes with intense light absorption especially suitable for application in thin-layer dye-sensitized solar cells

Photoinduced excitation and charge transfer processes of organic dyes with siloxane anchoring groups: a combined spectroscopic and computational study.

Photoisomerization acceleration in retinal protonated Schiff-base models

Prediction of hydrogen-bonding networks around tyrosyl radical inP. eryngiiversatile peroxidase W164Y variants: a QM/MM MD study

Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level.

Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch

Recent applications of a QM/MM scheme at the CASPT2//CASSCF/AMBER (or CHARMM) level of theory in photochemistry and photobiology

Redox-Active Sites in Auricularia auricula-judae Dye-Decolorizing Peroxidase and Several Directed Variants: A Multifrequency EPR Study

Spectroscopic and computational characterization of laccases and their substrate radical intermediates

Structural studies in solution and in the solid state on the zinc chelate of 2-hydroxy-(4-methylthio)butanoic acid, an effective mineral supplement in animal feeding

Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins

Synthesis and Characterization of New Organic Dyes Containing the Indigo Core

The critical issue of using lead for sustainable massive production of perovskite solar cells: a review of relevant literature

The nature of tryptophan radicals involved in the long-range electron transfer of lignin peroxidase and lignin peroxidase-like systems: Insights from quantum mechanical/molecular mechanics simulations

Thecis/trans isomerization of Cu(II)–bis-(glycinato) complex in solution: a computer aided multifrequency EPR and DFT/PCM calculation study

Thiazolo[5,4-d]thiazole-based organic sensitizers with strong visible light absorption for transparent, efficient and stable dye-sensitized solar cells

Toward a computational photobiology

Toward accurate computations in photobiology

Two New Dyes with Carboxypyridinium Regioisomers as Anchoring Groups for Dye-Sensitized Solar Cells

Tyrosine or Tryptophan? Modifying a Metalloradical Catalytic Site by Removal of the Cys-Tyr Cross-Link in the Galactose 6-Oxidase Homologue GlxA.