Andrea Bottoni : rechercher sur Z-Library

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1

Computational evidence for the catalytic mechanism of glutaminyl cyclase. A DFT investigation

Matteo Calvaresi, Marco Garavelli, Andrea Bottoni

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2008

Langue:

english

Fichier:

PDF, 405 KB

english, 2008

2

A methodology for verification of digital items in fair exchange protocols with active trustee

Andrea Bottoni, Gianluca Dini, Tage Stabell-Kulø

Journal:

Electronic Commerce Research

Année:

2007

Langue:

english

Fichier:

PDF, 813 KB

english, 2007

3

Metal Carbene or Carbenoid Complexes? A Theoretical Study of the Active Form of Transition Metal Catalysts in Cyclopropanation and Olefin Metathesis Reactions

Bernardi, Fernando, Bottoni, Andrea, Miscione, Gian Pietro

Journal:

Organometallics

Année:

2000

Langue:

english

Fichier:

PDF, 137 KB

english, 2000

4

An MC-SCF study of the thermal cycloaddition of two ethylenes

Bernardi, Fernando, Bottoni, Andrea, Robb, Michael A., Schlegel, H. Bernhard, Tonachini, Glauco

Journal:

Journal of the American Chemical Society

Année:

1985

Langue:

english

Fichier:

PDF, 564 KB

english, 1985

5

A DFT Study of the Simmons−Smith Cyclopropanation Reaction

Bernardi, Fernando, Bottoni, Andrea, Miscione, Gian Pietro

Journal:

Journal of the American Chemical Society

Année:

1997

Langue:

english

Fichier:

PDF, 161 KB

english, 1997

6

Graphene Can Wreak Havoc with Cell Membranes

Dallavalle, Marco, Calvaresi, Matteo, Bottoni, Andrea, Melle-Franco, Manuel, Zerbetto, Francesco

Journal:

ACS Applied Materials & Interfaces

Année:

2015

Langue:

english

Fichier:

PDF, 1.84 MB

english, 2015

7

Nutritional and microbiological quality of commercial and homemade blenderized whole food enteral diets for home-based enteral nutritional therapy in adults

Vieira, Maricy Machado Cavalca, Santos, Valdirene Francisca Neves, Bottoni, Andrea, Morais, Tania Beninga

Journal:

Clinical Nutrition

Année:

2016

Langue:

english

Fichier:

PDF, 616 KB

english, 2016

8

Nutrition therapy: a new criterion for treatment of patients in diverse clinical and metabolic situations.

GARNES, Sérgio dos Anjos, BOTTONI, Adriana, LASAKOSVITSCH, Fernanda, BOTTONI, Andrea

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 809 KB

english, 2018

9

Proteins as Supramolecular Hosts for C60: A True Solution of C60 in Water

Di Giosia, Matteo, Bomans, Paul, Bottoni, Andrea, Cantelli, Andrea, Falini, Giuseppe, Franchi, Paola, Guarracino, Giuseppe, Friedrich, Heiner, Lucarini, Marco, Paolucci, Francesco, Rapino, Stefania, S

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2018

10

Benefits of fasting abbreviation for surgical patients

Figliolino, Luis F.O., Giacometti, Thiago F., Fernandes, Ulisses R., Piza, Kelly, Bottoni, Andrea, Garnes, Sergio D.A.

Journal:

Clinical Nutrition ESPEN

Année:

2018

Langue:

english

Fichier:

PDF, 52 KB

english, 2018

11

An ab initio study of the dioxygen binding site of hemocyanin: A comparison between CASSCF, CASPT2, and DFT approaches

Fernando Bernardi, Andrea Bottoni, Rita Casadio, Piero Fariselli, Adelio Rigo

Journal:

International Journal of Quantum Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 931 KB

english, 1996

12

Exploring Organic Chemistry with DFT: Radical, Organo-metallic, and Bio-organic Applications

Fernando Bernardi, Andrea Bottoni, Marco Garavelli

Journal:

Molecular Informatics

Année:

2002

Langue:

english

Fichier:

PDF, 478 KB

english, 2002

13

The Cycloaddition Reaction Between α-Bromo Vinylketenes and Imines: A Combined Experimental and Theoretical Study

Fides Benfatti, Andrea Bottoni, Giuliana Cardillo, Serena Fabbroni, Luca Gentilucci, Marco Stenta, Alessandra Tolomelli

Journal:

Advanced Synthesis & Catalysis

Année:

2008

Langue:

english

Fichier:

PDF, 500 KB

english, 2008

14

Quantitative PMO Analysis of a Free Radical Reaction Pathway

Fernando Bernardi, Andrea Bottoni, Jaques Fossey

Journal:

Bulletin des Sociétés Chimiques Belges

Année:

1982

Langue:

english

Fichier:

PDF, 40 KB

english, 1982

15

A Combined Theoretical and Experimental Investigation on the Enantioselective Oxidation of Aryl Benzyl Sulfides in the Presence of a Chiral Titanium Catalyst

Francesco Naso, Maria Annunziata M. Capozzi, Andrea Bottoni, Matteo Calvaresi, Valerio Bertolasi, Francesco Capitelli, Cosimo Cardellicchio

Journal:

Chemistry - A European Journal

Année:

2009

Langue:

english

Fichier:

PDF, 608 KB

english, 2009

16

Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation

Dr. Marco Bandini, Prof. Andrea Bottoni, Dr. Astrid Eichholzer, Dr. Gian Pietro Miscione, Dr. Marco Stenta

Journal:

Chemistry - A European Journal

Année:

2010

Langue:

english

Fichier:

PDF, 628 KB

english, 2010

17

Exploring Organic Chemistry with DFT: Radical, Organometallic, and Bioorganic Applications

Fernando Bernardi, Andrea Bottoni, Marco Garavelli

Journal:

Année:

2003

Fichier:

PDF, 53 KB

2003

18

Bis(oxazoline)titanium Complexes as Chiral Catalysts for Enantioselective Hydrosilylation of Ketones — A Combined Experimental and Theoretical Investigation.

Marco Bandini, Fernando Bernardi, Andrea Bottoni, Pier Giorgio Cozzi, Gian Pietro Miscione, Achille Umani-Ronchi

Journal:

Année:

2003

Fichier:

PDF, 157 KB

2003

19

Diastereoselective Synthesis of Thieno[3′,2′:4,5]cyclopenta[1,2-d][1,3]oxazolines — New Ligands for the Copper-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Enones.

Bianca Flavia Bonini, Elena Capito, Mauro Comes-Franchini, Alfredo Ricci, Andrea Bottoni, Fernando Bernardi, Gian Pietro Miscione, Laurent Giordano, Andrew R. Cowley

Journal:

Année:

2005

Fichier:

PDF, 19 KB

2005

20

The N3+ Reactivity in Ionized Gases Containing Sulfur, Nitrogen, and Carbon Oxides

Giulia de Petris, Antonella Cartoni, Giancarlo Angelini, Ornella Ursini, Andrea Bottoni, Matteo Calvaresi

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 194 KB

english, 2006

21

Bis(oxazoline)titanium Complexes as Chiral Catalysts for Enantioselective Hydrosilylation of Ketones − A Combined Experimental and Theoretical Investigation

Marco Bandini, Fernando Bernardi, Andrea Bottoni, Pier Giorgio Cozzi, Gian Pietro Miscione, Achille Umani-Ronchi

Journal:

European Journal of Organic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2003

22

Diastereoselective Synthesis of Thieno[3′,2′:4,5]cyclopenta[1,2-d][1,3]oxazolines − New Ligands for the Copper-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Enones

Bianca Flavia Bonini, Elena Capitò, Mauro Comes-Franchini, Alfredo Ricci, Andrea Bottoni, Fernando Bernardi, Gian Pietro Miscione, Laurent Giordano, Andrew R. Cowley

Journal:

European Journal of Organic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 222 KB

english, 2004

23

Chiral C2-Boron-Bis(oxazolines) in Asymmetric Catalysis – A Theoretical Study of the Catalyzed Enantioselective Reduction of Ketones Promoted by Catecholborane

Marco Bandini, Andrea Bottoni, Pier Giorgio Cozzi, Gian Pietro Miscione, Magda Monari, Rossana Pierciaccante, Achille Umani-Ronchi

Journal:

European Journal of Organic Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 430 KB

english, 2006

24

Synthesis of Ethyl 5-Hydroxyisoxazolidine-4-carboxylates via Michael Addition/Intramolecular Hemiketalisation

Fides Benfatti, Andrea Bottoni, Giuliana Cardillo, Luca Gentilucci, Magda Monari, Elisa Mosconi, Marco Stenta, Alessandra Tolomelli

Journal:

European Journal of Organic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 525 KB

english, 2008

25

miR-15a and miR-16-1 down-regulation in pituitary adenomas

Arianna Bottoni, Daniela Piccin, Federico Tagliati, Andrea Luchin, Maria Chiara Zatelli, Ettore C. Degli Uberti

Journal:

Journal of Cellular Physiology

Année:

2005

Langue:

english

Fichier:

PDF, 214 KB

english, 2005

26

Proteasomes and RARS modulate AIMP1/EMAP II secretion in human cancer cell lines

Arianna Bottoni, Cristina Vignali, Daniela Piccin, Federico Tagliati, Andrea Luchin, Maria Chiara Zatelli, Ettore C. degli Uberti

Journal:

Journal of Cellular Physiology

Année:

2007

Langue:

english

Fichier:

PDF, 209 KB

english, 2007

27

The structure of the singlet tetramethylene diradical intermediate

Fernando Bernardi, Andrea Bottoni, Glauco Tonachini, Michael A. Robb, H.Bernhard Schlegel

Journal:

Chemical Physics Letters

Année:

1984

Langue:

english

Fichier:

PDF, 201 KB

english, 1984

28

Oemo analysis of ab inttio scf—mo computations. conformational preferences and asymmetries in methyl derivatives

Fernando Bernardi, Andrea Bottoni

Journal:

Journal of Molecular Structure

Année:

1981

Langue:

english

Fichier:

PDF, 1.11 MB

english, 1981

29

Theoretical study of substituent-effect on the stability of enolate ions

Fernando Bernardi, Andrea Bottoni, Ivan Rossi, Michael A. Robb

Journal:

Journal of Molecular Structure

Année:

1993

Langue:

english

Fichier:

PDF, 1021 KB

english, 1993

30

Mechanism of the gas phase reactions of the C5H5Ni+ and C5H5Co+ ions with substituted pyridines. A combined experimental and theoretical study

Gian Pietro Miscione, Sandro Torroni, Giuseppe Innorta, Andrea Bottoni

Journal:

Inorganica Chimica Acta

Année:

2007

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2007

31

Improving authentication of remote card transactions with mobile personal trusted devices

Andrea Bottoni, Gianluca Dini

Journal:

Computer Communications

Année:

2007

Langue:

english

Fichier:

PDF, 587 KB

english, 2007

32

The mechanism of transition metal catalyzed carbonylation of allyl halides: A theoretical investigation

Andrea Bottoni, Gian Pietro Miscione, M. Angels Carvajal, Juan J. Novoa

Journal:

Journal of Organometallic Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 295 KB

english, 2006

33

Stereoselective synthesis and conformational analysis of pseudo-heptapeptides: Part 5

Daniele Balducci, Andrea Bottoni, Matteo Calvaresi, Gianni Porzi, Sergio Sandri

Journal:

Tetrahedron: Asymmetry

Année:

2007

Langue:

english

Fichier:

PDF, 673 KB

english, 2007

34

Selenocysteine derivatives I. Sidechain conformational potential energy surface of N-acetyl-l-selenocysteine-N-methylamide (MeCO-l-Sec-NH-Me) in its βl backbone conformation

Imre L. Hegedűs, Michelle A. Sahai, Máté Labádi, Milán Szőri, Gábor Paragi, Bela Viskolcz, Andrea Bottoni

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 687 KB

english, 2005

35

A hypothetical mechanism for HIV-1 integrase catalytic action: DFT modelling of a bio-mimetic environment

Fernando Bernardi, Andrea Bottoni, Marco De Vivo, Marco Garavelli, György Keserü, Gábor Náray-Szabó

Journal:

Chemical Physics Letters

Année:

2002

Langue:

english

Fichier:

PDF, 207 KB

english, 2002

36

Fragment interaction analysis in the framework of ab-initio UHF-MO computations : Part IV. The second row effect in β-substituted ethyl radicals

Fernando Bernardi, Andréa Bottoni, Jacques Fossey, Jeanine Sorba

Journal:

Année:

1986

Langue:

english

Fichier:

PDF, 744 KB

english, 1986

37

A theoretical DFT investigation of the lysozyme mechanism: Computational evidence for a covalent intermediate pathway

Andrea Bottoni, Gian Pietro Miscione, Marco De Vivo

Journal:

Proteins: Structure, Function, and Bioinformatics

Année:

2005

Langue:

english

Fichier:

PDF, 808 KB

english, 2005

38

On the fragmentation modes in PMO analyses

Fernando Bernardi, Andrea Bottoni, Nicolaos D. Epiotis

Journal:

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

Année:

1979

Langue:

english

Fichier:

PDF, 462 KB

english, 1979

39

Fragment interaction analysis in the framework ofab initioUHF MO computations. I. Conformational preference in the ethyl radical

Fernando Bernardi, Andrea Bottoni, Jaques Fossey

Journal:

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

Année:

1982

Langue:

english

Fichier:

PDF, 560 KB

english, 1982

40

Anab initioinvestigation into the SN2 reaction: Frontside attack versus backside attack in the reaction of F−with CH3F

H. Bernhard Schlegel, Kurt Mislow, Fernando Bernardi, Andrea Bottoni

Journal:

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

Année:

1977

Langue:

english

Fichier:

PDF, 565 KB

english, 1977

41

Some applications of differential interference contrast microscopy in the study of polymers

Fernando Bernardi, Andrea Bottoni

Journal:

Journal of Materials Science

Année:

1984

Langue:

english

Fichier:

PDF, 549 KB

english, 1984

42

Conformational preferences in methylsilane and disilane. A quantitative non-empirical analysis of the importance of the hyperconjugative interactions

Fernando Bernardi, Andrea Bottoni, Glauco Tonachini

Journal:

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

Année:

1979

Langue:

english

Fichier:

PDF, 343 KB

english, 1979

43

Fragment interaction analysis of structural problems in the framework ofAb initioSCF-MO computations

Fernando Bernardi, Andrea Bottoni

Journal:

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

Année:

1981

Langue:

english

Fichier:

PDF, 549 KB

english, 1981

44

A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction

Piero Altoè, Marco Stenta, Andrea Bottoni, Marco Garavelli

Journal:

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

Année:

2007

Langue:

english

Fichier:

PDF, 1.53 MB

english, 2007

45

New computational evidence for the catalytic mechanism of carbonic anhydrase

Gian Pietro Miscione, Marco Stenta, Domenico Spinelli, Ernst Anders, Andrea Bottoni

Journal:

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

Année:

2007

Langue:

english

Fichier:

PDF, 770 KB

english, 2007

46

e-Document management in situated interactivity: the WIL approach

Paolo Bottoni, Fernando Ferri, Patrizia Grifoni, Andrea Marcante, Piero Mussio, Marco Padula, Amanda Reggiori

Journal:

Universal Access in the Information Society

Année:

2009

Langue:

english

Fichier:

PDF, 769 KB

english, 2009

47

The existence and stability of singlet tetramethylene biradicals: an ab initio MCSCF/MP2 study

Fernando Bernardi, Andrea Bottoni, Paolo Celani, Massimo Olivucci, Michael A. Robb, Alessandro Venturini

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 618 KB

english, 1992

48

Isotope Exchange in Disulfur Monoxide-Water Charged Complexes: A Mass Spectrometric and Computational Study

Giulia de Petris, Anna Troiani, Giancarlo Angelini, Ornella Ursini, Andrea Bottoni, Matteo Calvaresi

Journal:

Journal of the American Society for Mass Spectrometry

Année:

2007

Langue:

english

Fichier:

PDF, 723 KB

english, 2007

49

Synthesis and conformational preferences of unnatural tetrapeptides containing l-valine units

Daniele Balducci, Andrea Bottoni, Matteo Calvaresi, Gianni Porzi, Sergio Sandri

Journal:

Tetrahedron: Asymmetry

Année:

2006

Langue:

english

Fichier:

PDF, 554 KB

english, 2006

50

Stereoselective synthesis and conformational analysis of unnatural tetrapeptides. Part 2

Giosuè M. Almiento, Daniele Balducci, Andrea Bottoni, Matteo Calvaresi, Gianni Porzi

Journal:

Tetrahedron: Asymmetry

Année:

2007

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2007