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1

Copolymerisation of 5,6-dihydroxyindole and 5,6-dihydroxyindole-2-carboxylic acid in melanogenesis: Isolation of a cross-coupling product

Alessandra Napolitano, Orlando Crescenzi, Giuseppe Prota

Journal:

Tetrahedron Letters

Year:

1993

Language:

english

File:

PDF, 250 KB

english, 1993

2

Solution structure of the Alzheimer amyloid β-peptide (1–42) in an apolar microenvironment : Similarity with a virus fusion domain

Orlando Crescenzi, Simona Tomaselli, Remo Guerrini, Severo Salvadori, Anna M. D'Ursi, Piero Andrea Temussi, Delia Picone

Journal:

Year:

2002

Language:

english

File:

PDF, 256 KB

english, 2002

3

Solvent Effects on the UV (n → π*) and NMR (17O) Spectra of Acetone in Aqueous Solution: Development and Validation of a Modified AMBERForce Field for an Integrated MD/DFT/PCM Approach

Michele Pavone, Orlando Crescenzi, Giovanni Morelli, Nadia Rega, Vincenzo Barone

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2006

Language:

english

File:

PDF, 268 KB

english, 2006

4

Phylogenetic Divergence of Fish and Mammalian Metallothionein: Relationships with Structural Diversification and Organismal Temperature

Clemente Capasso, Vincenzo Carginale, Rosaria Scudiero, Orlando Crescenzi, Roberta Spadaccini, Piero Andrea Temussi, Elio Parisi

Journal:

Journal of Molecular Evolution

Year:

2003

Language:

english

File:

PDF, 166 KB

english, 2003

5

Short-Lived Quinonoid Species from 5,6-Dihydroxyindole Dimers en Route to Eumelanin Polymers: Integrated Chemical, Pulse Radiolytic, and Quantum Mechanical Investigation

Pezzella, Alessandro, Panzella, Lucia, Crescenzi, Orlando, Napolitano, Alessandra, Navaratman, Suppiah, Edge, Ruth, Land, Edward J., Barone, Vincenzo, d'Ischia, Marco

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 188 KB

english, 2006

6

The Δ2,2′-Bi(2H-1,4-benzothiazine) Structural Motif of Red Hair Pigments Revisited: Photochromism and Acidichromism in a Unique Four-State System

Loredana Leone, Orlando Crescenzi, Alessandra Napolitano, Vincenzo Barone, Marco d'Ischia

Journal:

European Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 447 KB

english, 2012

7

Red-Hair-Inspired Chromogenic System Based on a Proton-Switched Dehydrogenative Free-Radical Coupling

Leone, Loredana, Crescenzi, Orlando, Amorati, Riccardo, Valgimigli, Luca, Napolitano, Alessandra, Barone, Vincenzo, d’Ischia, Marco

Journal:

Organic Letters

Year:

2013

Language:

english

File:

PDF, 2.10 MB

english, 2013

8

Trichocyanines: a Red-Hair-Inspired Modular Platform for Dye-Based One-Time-Pad Molecular Cryptography

Leone, Loredana, Pezzella, Alessandro, Crescenzi, Orlando, Napolitano, Alessandra, Barone, Vincenzo, d'Ischia, Marco

Journal:

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

9

Solution structure of nocistatin, a new peptide analgesic

Orlando Crescenzi, Remo Guerrini, Delia Picone, Severo Salvadori, Teodorico Tancredi, Piero Andrea Temussi

Journal:

Year:

2000

Language:

english

File:

PDF, 139 KB

english, 2000

10

Solution structure of dynorphin A (1–17): a NMR study in a cryoprotective solvent mixture at 278 K

Roberta Spadaccini, Orlando Crescenzi, Delia Picone, Teodorico Tancredi, Piero Andrea Temussi

Journal:

Journal of Peptide Science

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

11

Solution structure of human β-endorphin in helicogenic solvents: an NMR study

Gabriella Saviano, Orlando Crescenzi, Delia Picone, Pierandrea Temussi, Teodorico Tancredi

Journal:

Journal of Peptide Science

Year:

1999

Language:

english

File:

PDF, 270 KB

english, 1999

12

Computation of Spectroscopic Parameters in vacuo and in Condensed Phases by Methods based on the Density Functional Theory

Vincenzo Barone, Orlando Crescenzi, Roberto Improta

Journal:

Molecular Informatics

Year:

2002

Language:

english

File:

PDF, 171 KB

english, 2002

13

Biphenyltetrols and Dibenzofuranones from Oxidative Coupling of Resorcinols with 4-Alkylpyrocatechols: New Ciues to the Mechanism of Insect Cuticle Sclerotization

Merle Miessner, Orlando Crescenzi, Alessandra Napolitano, Giuseppe Prota, Svend Olav Andersen, Martin G. Peter

Journal:

Helvetica Chimica Acta

Year:

1991

Language:

english

File:

PDF, 585 KB

english, 1991

14

Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model

Emma Langella, Nadia Rega, Roberto Improta, Orlando Crescenzi, Vincenzo Barone

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 173 KB

english, 2002

15

Synthesis of Dopamines Labelled with 13C in the α- or β-Side Chain Position and Their Application to Structural Studies on Melanins by Solid-State NMR Spectroscopy

Orlando Crescenzi, Christoph Kroesche, Wilfried Hoffbauer, Martin Jansen, Alessandra Napolitano, Giuseppe Prota, Martin G. Peter

Journal:

European Journal of Organic Chemistry

Year:

1994

Language:

english

File:

PDF, 530 KB

english, 1994

16

Reliable NMR chemical shifts for molecules in solution by methods rooted in density functional theory

Caterina Benzi, Orlando Crescenzi, Michele Pavone, Vincenzo Barone

Journal:

Magnetic Resonance in Chemistry

Year:

2004

Language:

english

File:

PDF, 257 KB

english, 2004

17

The catecholic antioxidant piceatannol is an effective nitrosation inhibitor via an unusual double bond nitration

Maria De Lucia, Lucia Panzella, Orlando Crescenzi, Alessandra Napolitano, Vincenzo Barone, Marco d’Ischia

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2006

Language:

english

File:

PDF, 191 KB

english, 2006

18

Phototransformation of the drug trazodone in aqueous solution

Marina DellaGreca, Maria Rosaria Iesce, Lucio Previtera, Maria Rubino, Vincenzo Barone, Orlando Crescenzi

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2008

Language:

english

File:

PDF, 330 KB

english, 2008

19

Ab initio computation of spectroscopic parameters as a tool for the structural elucidation of organic systems

Vincenzo Barone, Paola Cimino, Orlando Crescenzi, Michele Pavone

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 432 KB

english, 2007

20

Oxidative coupling of dopa with resorcinol and phloroglucinol: Isolation of adducts with an unusual tetrahydromethanobenzofuro[2,3-d]azocine skeleton

Orlando Crescenzi, Alessandra Napolitano, Giuseppe Prota, Martin G. Peter

Journal:

Year:

1991

Language:

english

File:

PDF, 520 KB

english, 1991

21

The acid-promoted reaction of ethyl linoleate with nitrite. New insights from 15N-labelling and peculiar reactivity of a model skipped diene

Alessandra Napolitano, Orlando Crescenzi, Emanuela Camera, Italo Giudicianni, Mauro Picardo, Marco d'Ischia

Journal:

Year:

2002

Language:

english

File:

PDF, 170 KB

english, 2002

22

Characterisation of 1,4-benzothiazine intermediates in the oxidative conversion of 5-S-cysteinyldopa to pheomelanins

Alessandra Napolitano, Claudio Costantini, Orlando Crescenzi, Giuseppe Prota

Journal:

Tetrahedron Letters

Year:

1994

Language:

english

File:

PDF, 262 KB

english, 1994

23

Photochemical ring contraction of dihydro-1,4-benzothiazines

Claudio Costantini, Gennaro Testa, Orlando Crescenzi, Marco d'Ischia

Journal:

Tetrahedron Letters

Year:

1994

Language:

english

File:

PDF, 144 KB

english, 1994

24

Role of the hinge peptide and the intersubunit interface in the swapping of N-termini in dimeric bovine seminal RNase

Carmine Ercole, Francesca Avitabile, Pompea Del Vecchio, Orlando Crescenzi, Teodorico Tancredi, Delia Picone

Journal:

Year:

2003

Language:

english

File:

PDF, 342 KB

english, 2003

25

Bacterial expression and conformational analysis of a chemosensory protein from Schistocerca gregaria

Delia Picone, Orlando Crescenzi, Sergio Angeli, Silvana Marchese, Anna Brandazza, Lino Ferrara, Paolo Pelosi, Andrea Scaloni

Journal:

Year:

2001

Language:

english

File:

PDF, 705 KB

english, 2001

26

Assessing the acid–base and conformational properties of histidine residues in human prion protein (125–228) by means of pKa calculations and molecular dynamics simulations

Emma Langella, Roberto Improta, Orlando Crescenzi, Vincenzo Barone

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 490 KB

english, 2006

27

Peptide T revisited: conformational mimicry of epitopes of anti-HIV proteins

Delia Picone, Angela Rivieccio, Orlando Crescenzi, Giuseppe Caliendo, Vincenzo Santagada, Elisa Perissutti, Susanna Spisani, Serena Traniello, Piero Andrea Temussi

Journal:

Journal of Peptide Science

Year:

2001

Language:

english

File:

PDF, 186 KB

english, 2001

28

310-Helices, Helix Screw Sense and Screw Sense Reversal in the Dehydro-peptide Boc-Val-ΔPhe-Gly-ΔPhe-Val-OMe

Angela Tuzi, M. Rosaria Ciajolo, Delia Picone, Orlando Crescenzi, Pier Andrea Temussi, Adriano Fissi, Osvaldo Pieroni

Journal:

Journal of Peptide Science

Year:

1996

Language:

english

File:

PDF, 910 KB

english, 1996

29

δ-Selective Opioid Peptides Containing a Single Aromatic Residue in the Message Domain: An NMR Conformational Analysis

Orlando Crescenzi, Pietro Amodeo, Giorgio Cavicchioni, Remo Guerrini, Delia Picone, Severo Salvadori, Teodorico Tancredi, Prof. Piero A. Temussi

Journal:

Journal of Peptide Science

Year:

1996

Language:

english

File:

PDF, 1.56 MB

english, 1996

30

Oxidation chemistry of 5,6-dihydroxy-2-methylindole

Alessandra Napolitano, Orlando Crescenzi, Kostantino Tsiakas, Giuseppe Prota

Journal:

Year:

1993

Language:

english

File:

PDF, 549 KB

english, 1993

31

The role of electrostatic interactions in the antitumor activity of dimeric RNases

Eugenio Notomista, José Miguel Mancheño, Orlando Crescenzi, Alberto Di Donato, José Gavilanes, Giuseppe D'Alessio

Journal:

Year:

2006

Language:

english

File:

PDF, 871 KB

english, 2006

32

Structural Effects on the Electronic Absorption Properties of 5,6-Dihydroxyindole Oligomers: The Potential of an Integrated Experimental and DFT Approach to Model Eumelanin Optical Properties

Marco D’Ischia, Orlando Crescenzi, Alessandro Pezzella, Marianna Arzillo, Lucia Panzella, Alessandra Napolitano, Vincenzo Barone

Journal:

Photochemistry and Photobiology

Year:

2008

Language:

english

File:

PDF, 385 KB

english, 2008

33

Letter to the Editor: 1H and 15N sequential assignment and secondary structure of the monomeric N67D mutant of bovine seminal ribonuclease

Orlando Crescenzi, Alfonso Carotenuto, Anna M. D'Ursi, Teodorico Tancredi, Giuseppe D'Alessio, Francesca Avitabile, Delia Picone

Journal:

Journal of Biomolecular NMR

Year:

2001

Language:

english

File:

PDF, 472 KB

english, 2001

34

Probing the surface of a sweet protein: NMR study of MNEI with a paramagnetic probe

Neri Niccolai, Roberta Spadaccini, Maria Scarselli, Andrea Bernini, Orlando Crescenzi, Ottavia Spiga, Arianna Ciutti, Daniela Di Maro, Luisa Bracci, Claudio Dalvit, Piero A. Temussi

Journal:

Protein Science

Year:

2001

Language:

english

File:

PDF, 813 KB

english, 2001

35

Effects of molecular dynamics and solvation on the electronic structure of molecular probes

Pasquale Caruso, Mauro Causà, Paola Cimino, Orlando Crescenzi, Maddalena D’Amore, Roberto Improta, Michele Pavone, Nadia Rega

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 588 KB

english, 2012

36

Solution Structure of MT_nc, a Novel Metallothionein from the Antarctic Fish Notothenia coriiceps

Clemente Capasso, Vincenzo Carginale, Orlando Crescenzi, Daniela Di Maro, Elio Parisi, Roberta Spadaccini, Piero Andrea Temussi

Journal:

Year:

2003

Language:

english

File:

PDF, 433 KB

english, 2003

37

The three-dimensional structure of Ca2+-bound calcyclin: implications for Ca2+-signal transduction by S100 proteins

Mallika Sastry, Randal R Ketchem, Orlando Crescenzi, Christoph Weber, Michael J Lubienski, Hiroyoshi Hidaka, Walter J Chazin

Journal:

Year:

1998

Language:

english

File:

PDF, 1.31 MB

english, 1998

38

Design and Solution Structure of a Partially Rigid Opioid Antagonist Lacking the Basic Center — Models of Antagonism

Orlando Crescenzi, Franca Fraternali, Delia Picone, Teodorico Tancredi, Gianfranco Balboni, Remo Guerrini, Lawrence H. Lazarus, Severe Salvadori, Piero A. Temussi

Journal:

Year:

1997

Language:

english

File:

PDF, 978 KB

english, 1997

39

Solution structure of a sweet protein: NMR study of MNEI, a single chain monellin

Roberta Spadaccini, Orlando Crescenzi, Teodorico Tancredi, Natashia De Casamassimi, Gabriella Saviano, Roberta Scognamiglio, Alberto Di Donato, Piero A. Temussi

Journal:

Journal of Molecular Biology

Year:

2001

Language:

english

File:

PDF, 2.21 MB

english, 2001

40

Oxidative chemistry of 2-nitro and 4-nitroestradiol: Dichotomous behavior of radical intermediates and novel potential routes for oxyfunctionalization and B-ring fission of steroidal scaffolds

Alessandro Pezzella, Paola Manini, Alessandra Napolitano, Orlando Crescenzi, Vincenzo Barone, Marco d’Ischia

Journal:

Year:

2005

Language:

english

File:

PDF, 262 KB

english, 2005

41

NMR studies of flexible peptides in cavities mimicking the synaptic cleft

Luca Pavone, Orlando Crescenzi, Teodorico Tancredi, Piero Andrea Temussi

Journal:

Year:

2002

Language:

english

File:

PDF, 117 KB

english, 2002

42

The Mechanism of Interaction of Sweet Proteins with the T1R2-T1R3 Receptor: Evidence from the Solution Structure of G16A-MNEI

Roberta Spadaccini, Franca Trabucco, Gabriella Saviano, Delia Picone, Orlando Crescenzi, Teodorico Tancredi, Piero A. Temussi

Journal:

Journal of Molecular Biology

Year:

2003

Language:

english

File:

PDF, 1.21 MB

english, 2003

43

Solvent effects on17O nuclear magnetic shielding:N-methylformamide in polar and apolar solutions

Maurizio Cossi, Orlando Crescenzi

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2004

Language:

english

File:

PDF, 317 KB

english, 2004

44

Pulse ENDOR and density functional theory on the peridinin triplet state involved in the photo-protective mechanism in the peridinin–chlorophyll a–protein from Amphidinium carterae

Marilena Di Valentin, Stefano Ceola, Giancarlo Agostini, Giorgio Mario Giacometti, Alexander Angerhofer, Orlando Crescenzi, Vincenzo Barone, Donatella Carbonera

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2008

Language:

english

File:

PDF, 974 KB

english, 2008

45

Lack of Visible Chromophore Development in the Pulse Radiolysis Oxidation of 5,6-Dihydroxyindole-2-carboxylic Acid Oligomers: DFT Investigation and Implications for Eumelanin Absorption Properties

Pezzella, Alessandro, Panzella, Lucia, Crescenzi, Orlando, Napolitano, Alessandra, Navaratnam, Suppiah, Edge, Ruth, Land, Edward J., Barone, Vincenzo, d’Ischia, Marco

Journal:

Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 691 KB

english, 2009

46

Solvent Effects on the UV ( n → π*) and NMR ( 13 C and 17 O) Spectra of Acetone in Aqueous Solution. An Integrated Car−Parrinello and DFT/PCM Approach

Crescenzi, Orlando, Pavone, Michele, De Angelis, Filippo, Barone, Vincenzo

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 201 KB

english, 2005

47

Oxidative Polymerization of the Pheomelanin Precursor 5-Hydroxy-1,4-benzothiazinylalanine: A New Hint to the Pigment Structure

Napolitano, Alessandra, Memoli, Sofia, Crescenzi, Orlando, Prota, Giuseppe

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 349 KB

english, 1996

48

Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 2. A Quantum Mechanical/Molecular Mechanical Study of (Proline-Proline-Glycine) n Polypeptides

Improta, Roberto, Mele, Franca, Crescenzi, Orlando, Benzi, Caterina, Barone, Vincenzo

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 176 KB

english, 2002

49

Chemical, Pulse Radiolysis and Density Functional Studies of a New, Labile 5,6-Indolequinone and Its Semiquinone

Pezzella, Alessandro, Crescenzi, Orlando, Natangelo, Anna, Panzella, Lucia, Napolitano, Alessandra, Navaratnam, Suppiah, Edge, Ruth, Land, Edward J., Barone, Vincenzo, d'Ischia, Marco

Journal:

Journal of Organic Chemistry

Year:

2007

Language:

english

File:

PDF, 287 KB

english, 2007

50

Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case

Bloino, Julien, Biczysko, Malgorzata, Crescenzi, Orlando, Barone, Vincenzo

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 962 KB

english, 2008