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Coarse-grained molecular dynamics and continuum models for the transport of protein molecules / / Marco Bacci
| Coarse-grained molecular dynamics and continuum models for the transport of protein molecules / / Marco Bacci |
| Autore | Bacci Marco <1954-> |
| Pubbl/distr/stampa | Firenze, Italy : , : Firenze University Press, , [2014] |
| Descrizione fisica | 1 online resource (134 pages) |
| Disciplina | 547 |
| Collana | Premio Tesi di dottorato |
| Soggetto topico | Chemistry, Organic |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Abstract -- Acknowledgements -- Chapter 1. Introduction -- 1. Preamble -- 2. Translocation in biology -- 2.1. Protein molecules -- 2. Voltage-driven experiments and nanopore technology -- 4. Outline of the thesis -- Chapter 2. State of the Art -- 1. Preamble -- 2. Experimental work: a selected example from the literature -- 3. Additional past work outline -- 4. Analytical models and simulations of protein translocation -- 4.1. Overview -- 4.2. Coarse-grained molecular dynamics reference studies -- Chapter 3. Molecular Dynamics Translocation Simulations -- 1. Preamble -- 2. Three-dimensional models for MBP simulations -- 2.1. MBP numerical model: The Go-like approach ¯ -- 2.2. Pore and pulling models -- 2.3. Langevin dynamics for the material points of the MBP -- 3. Methods for translocation and stretching simulations -- 3.1. Translocation simulations -- 3.2. Stretching simulations -- 4. Translocation and stretching numerical results -- 4.1. Denaturation characterization -- 4.2. Translocation dynamics -- 4.3. Residence time statistics -- 4.4. Stretching vs. translocation -- 5. Discussion -- 6. Remarks -- Chapter 4. 1-Dimensional Continuum Models -- 1. Preamble -- 2. Overview -- 2.1. The general framework -- 3. Models and methods -- 4. Results -- 5. Remarks -- Chapter 5. 1-Dimensional Continuum Models -- 1. Preamble -- 2. Introduction -- 3. Models and methods -- 3.1. Discrete scheme -- 3.2. Continuum model -- 3.3. Stretching simulations: methods -- 3.4. Translocation simulations: methods -- 4. Results -- 4.1. Toy simulations and related remarks -- 4.2. Three-dimensional atomic clusters -- 4.3. Additional remarks -- 4.4. Protein descriptor in MBP stretching simulations -- 4.5. MBP morphological descriptor translocation results -- 5. Additional continuum formulations -- 5.1. Varying the meaning of v -- 5.2. zs model 3 and 3* -- 5.3. Remarks -- References. |
| Record Nr. | UNINA-9910572188203321 |
Bacci Marco <1954->
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| Firenze, Italy : , : Firenze University Press, , [2014] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compendium der organischen Chemie . Teil 2 : Compendium der anorganischen und organischen Chemie / / Fritz Lehmann
| Compendium der organischen Chemie . Teil 2 : Compendium der anorganischen und organischen Chemie / / Fritz Lehmann |
| Autore | Lehmann Fritz |
| Pubbl/distr/stampa | Basel : , : S. Karger AG, , 1898 |
| Descrizione fisica | 1 online resource (viii, 114 pages) |
| Disciplina | 547 |
| Soggetto topico | Chemistry, Organic |
| ISBN | 3-318-04439-3 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | ger |
| Record Nr. | UNINA-9910150443203321 |
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Lehmann Fritz
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| Basel : , : S. Karger AG, , 1898 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compendium of organic synthetic methods . Volume 12 [[electronic resource] /] / Michael B. Smith
| Compendium of organic synthetic methods . Volume 12 [[electronic resource] /] / Michael B. Smith |
| Autore | Smith Michael B |
| Pubbl/distr/stampa | New York, : J. Wiley, 2009 |
| Descrizione fisica | 1 online resource (596 p.) |
| Disciplina |
547.2
547/.2 |
| Collana | Compendium of organic synthetic methods |
| Soggetto topico |
Organic compounds - Synthesis
Chemistry, Organic |
| ISBN |
1-282-27998-X
9786612279980 0-470-50397-1 0-470-50385-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Compendium of Organic Synthetic Methods; CONTENTS; Preface; Abbreviations; Index, Monofunctional Compounds; Index, Difunctional Compounds; Introduction; 1 Preparation of Alkynes; 2 Preparation of Acid Derivatives; 3 Preparation of Alcohols; 4 Preparation of Aldehydes; 5 Preparation of Alkyls, Methylenes, and Aryls; 6 Preparation of Amides; 7 Preparation of Amines; 8 Preparation of Esters; 9 Preparation of Ethers, Epoxides, and Thioethers; 10 Preparation of Halides and Sulfonates; 11 Preparation of Hydrides; 12 Preparation of Ketones; 13 Preparation of Nitriles; 14 Preparation of Alkenes
15 Preparation of Oxides16 Preparation of Difunctional Compounds; Author Index |
| Record Nr. | UNINA-9910139752603321 |
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Smith Michael B
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| New York, : J. Wiley, 2009 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compendium of organic synthetic methods . Volume 12 [[electronic resource] /] / Michael B. Smith
| Compendium of organic synthetic methods . Volume 12 [[electronic resource] /] / Michael B. Smith |
| Autore | Smith Michael B |
| Pubbl/distr/stampa | New York, : J. Wiley, 2009 |
| Descrizione fisica | 1 online resource (596 p.) |
| Disciplina |
547.2
547/.2 |
| Collana | Compendium of organic synthetic methods |
| Soggetto topico |
Organic compounds - Synthesis
Chemistry, Organic |
| ISBN |
1-282-27998-X
9786612279980 0-470-50397-1 0-470-50385-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Compendium of Organic Synthetic Methods; CONTENTS; Preface; Abbreviations; Index, Monofunctional Compounds; Index, Difunctional Compounds; Introduction; 1 Preparation of Alkynes; 2 Preparation of Acid Derivatives; 3 Preparation of Alcohols; 4 Preparation of Aldehydes; 5 Preparation of Alkyls, Methylenes, and Aryls; 6 Preparation of Amides; 7 Preparation of Amines; 8 Preparation of Esters; 9 Preparation of Ethers, Epoxides, and Thioethers; 10 Preparation of Halides and Sulfonates; 11 Preparation of Hydrides; 12 Preparation of Ketones; 13 Preparation of Nitriles; 14 Preparation of Alkenes
15 Preparation of Oxides16 Preparation of Difunctional Compounds; Author Index |
| Record Nr. | UNINA-9910830393503321 |
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Smith Michael B
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| New York, : J. Wiley, 2009 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compendium of organic synthetic methods . Volume 12 [[electronic resource] /] / Michael B. Smith
| Compendium of organic synthetic methods . Volume 12 [[electronic resource] /] / Michael B. Smith |
| Autore | Smith Michael B |
| Pubbl/distr/stampa | New York, : J. Wiley, 2009 |
| Descrizione fisica | 1 online resource (596 p.) |
| Disciplina |
547.2
547/.2 |
| Collana | Compendium of organic synthetic methods |
| Soggetto topico |
Organic compounds - Synthesis
Chemistry, Organic |
| ISBN |
1-282-27998-X
9786612279980 0-470-50397-1 0-470-50385-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Compendium of Organic Synthetic Methods; CONTENTS; Preface; Abbreviations; Index, Monofunctional Compounds; Index, Difunctional Compounds; Introduction; 1 Preparation of Alkynes; 2 Preparation of Acid Derivatives; 3 Preparation of Alcohols; 4 Preparation of Aldehydes; 5 Preparation of Alkyls, Methylenes, and Aryls; 6 Preparation of Amides; 7 Preparation of Amines; 8 Preparation of Esters; 9 Preparation of Ethers, Epoxides, and Thioethers; 10 Preparation of Halides and Sulfonates; 11 Preparation of Hydrides; 12 Preparation of Ketones; 13 Preparation of Nitriles; 14 Preparation of Alkenes
15 Preparation of Oxides16 Preparation of Difunctional Compounds; Author Index |
| Record Nr. | UNINA-9910841734203321 |
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Smith Michael B
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| New York, : J. Wiley, 2009 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compendium of organic synthetic methods . Volume 11 [[electronic resource] /] / Michael B. Smith
| Compendium of organic synthetic methods . Volume 11 [[electronic resource] /] / Michael B. Smith |
| Autore | Smith Michael <1946 October 17-> |
| Pubbl/distr/stampa | Hoboken, NJ, : Wiley, c2003 |
| Descrizione fisica | 1 online resource (820 p.) |
| Disciplina |
547.2
547/.2 |
| Collana | Compendium of organic synthetic methods |
| Soggetto topico |
Organic compounds - Synthesis
Chemistry, Organic |
| ISBN |
1-281-45066-9
0-471-47667-6 0-471-47666-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Compendium of Organic Synthetic Methods; CONTENTS; PREFACE; ABBREVIATIONS; INDEX, MONOFUNCTIONAL COMPOUNDS; INDEX, DIFUNCTIONAL COMPOUNDS; INTRODUCTION; 1 PREPARATION OF ALKYNES; 2 PREPARATION OF ACID DERIVATIVES AND ANHYDRIDES; 3 PREPARATION OF ALCOHOLS; 4 PREPARATION OF ALDEHYDES; 5 PREPARATION OF ALKYLS, METHYLENES AND ARYLS; 6 PREPARATION OF AMIDES; 7 PREPARATION OF AMINES; 8 PREPARATION OF ESTERS; 9 PREPARATION OF ETHERS, EPOXIDES AND THIOETHERS; 10 PREPARATION OF HALIDES AND SULFONATES; 11 PREPARATION OF HYDRIDES; 12 PREPARATION OF KETONES; 13 PREPARATION OF NITRILES
14 PREPARATION OF ALKENES15 PREPARATION OF OXIDES; 16 PREPARATION OF DIFUNCTIONAL COMPOUNDS; AUTHOR INDEX |
| Record Nr. | UNINA-9910146252703321 |
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Smith Michael <1946 October 17->
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| Hoboken, NJ, : Wiley, c2003 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compendium of organic synthetic methods . Volume 11 [[electronic resource] /] / Michael B. Smith
| Compendium of organic synthetic methods . Volume 11 [[electronic resource] /] / Michael B. Smith |
| Autore | Smith Michael <1946 October 17-> |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Hoboken, NJ, : Wiley, c2003 |
| Descrizione fisica | 1 online resource (820 p.) |
| Disciplina |
547.2
547/.2 |
| Collana | Compendium of organic synthetic methods |
| Soggetto topico |
Organic compounds - Synthesis
Chemistry, Organic |
| ISBN |
1-281-45066-9
0-471-47667-6 0-471-47666-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Compendium of Organic Synthetic Methods; CONTENTS; PREFACE; ABBREVIATIONS; INDEX, MONOFUNCTIONAL COMPOUNDS; INDEX, DIFUNCTIONAL COMPOUNDS; INTRODUCTION; 1 PREPARATION OF ALKYNES; 2 PREPARATION OF ACID DERIVATIVES AND ANHYDRIDES; 3 PREPARATION OF ALCOHOLS; 4 PREPARATION OF ALDEHYDES; 5 PREPARATION OF ALKYLS, METHYLENES AND ARYLS; 6 PREPARATION OF AMIDES; 7 PREPARATION OF AMINES; 8 PREPARATION OF ESTERS; 9 PREPARATION OF ETHERS, EPOXIDES AND THIOETHERS; 10 PREPARATION OF HALIDES AND SULFONATES; 11 PREPARATION OF HYDRIDES; 12 PREPARATION OF KETONES; 13 PREPARATION OF NITRILES
14 PREPARATION OF ALKENES15 PREPARATION OF OXIDES; 16 PREPARATION OF DIFUNCTIONAL COMPOUNDS; AUTHOR INDEX |
| Record Nr. | UNINA-9910824539203321 |
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Smith Michael <1946 October 17->
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| Hoboken, NJ, : Wiley, c2003 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Comprehensive enantioselective organocatalysis [[electronic resource] ] : catalysts, reactions, and applications / / edited by Peter I. Dalko ; [with a foreword by Benjamin List]
| Comprehensive enantioselective organocatalysis [[electronic resource] ] : catalysts, reactions, and applications / / edited by Peter I. Dalko ; [with a foreword by Benjamin List] |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag GmbH & Co. KGaA, 2013 |
| Descrizione fisica | 1 online resource (1548 p.) |
| Disciplina | 541.395 |
| Altri autori (Persone) | DalkoPeter I |
| Soggetto topico |
Catalysis
Chemistry, Organic |
| ISBN |
3-527-65888-2
3-527-65886-6 3-527-65889-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | v. 1. Privileged catalysts -- v. 2. Activations -- v. 3. Reactions and applications. |
| Record Nr. | UNINA-9910139026703321 |
| Weinheim, : Wiley-VCH Verlag GmbH & Co. KGaA, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Comprehensive enantioselective organocatalysis [[electronic resource] ] : catalysts, reactions, and applications / / edited by Peter I. Dalko ; [with a foreword by Benjamin List]
| Comprehensive enantioselective organocatalysis [[electronic resource] ] : catalysts, reactions, and applications / / edited by Peter I. Dalko ; [with a foreword by Benjamin List] |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag GmbH & Co. KGaA, 2013 |
| Descrizione fisica | 1 online resource (1548 p.) |
| Disciplina | 541.395 |
| Altri autori (Persone) | DalkoPeter I |
| Soggetto topico |
Catalysis
Chemistry, Organic |
| ISBN |
3-527-65888-2
3-527-65886-6 3-527-65889-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | v. 1. Privileged catalysts -- v. 2. Activations -- v. 3. Reactions and applications. |
| Record Nr. | UNINA-9910826063903321 |
| Weinheim, : Wiley-VCH Verlag GmbH & Co. KGaA, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Comprehensive organic reactions in aqueous media [[electronic resource] /] / Chao-Jun Li, Tak-Hang Chan
| Comprehensive organic reactions in aqueous media [[electronic resource] /] / Chao-Jun Li, Tak-Hang Chan |
| Autore | Li Chao-Jun <1963-> |
| Edizione | [2nd ed.] |
| Pubbl/distr/stampa | Hoboken, N.J., : Wiley-Interscience, c2007 |
| Descrizione fisica | 1 online resource (435 p.) |
| Disciplina |
547.13422
547.2 547/.13422 |
| Altri autori (Persone) |
ChanTak-Hang <1941->
LiChao-Jun <1963-> |
| Soggetto topico |
Chemistry, Organic
Solution (Chemistry) Chemical reactions |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-90024-5
9786610900244 0-470-13144-6 0-470-13143-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Introduction. The structure and forms of water ; Properties of water ; Solvation ; Hydrophobic effect ; Salt effect Water under extreme conditions -- Alkanes. Oxygenation of alkanes ; Halogenation of alkanes ; Formation of carbon-carbon bonds ; D/H exchange of alkanes in water --Alkenes. Reduction ; Electrophilic additions ; Radical reactions of alkenes ; Carbene reactions ; Alkene isomerization ; Transition-metal catalyzed C-C formation reactions ; Olefin metathesis ; Reaction of allylic C-H bond -- Alkynes. Reaction of terminal alkynes ; Additions of C [triple bar] C bonds ; Transition-metal catalyzed cycloadditions ; Other reactions --
Alcohols, Phenols, Ethers, Thiols, and Thioethers. Oxidation of alcohols ; Substitutions/elimination ; Addition of alcohols, phenols, and thiols to alkene and alkyne bonds ; Addition of alcohols to C=O bonds: esterification and acetal formations ; Reaction of ethers and cyclic ethers ; Other reactions -- Organic halides. General ; Reduction ; Elimination reactions ; Nucleophilic substitutions ; Reductive coupling ; Carbonylation of organic halides ; Transition-metal catalyzed coupling reactions -- Aromatic compounds. General ; Substitution reactions ; Oxidation reactions ; Reductions -- Aldehdye and ketones. Reduction ; Oxidation ; Nucleophilic addition: C-C bond formation ; Pinacol coupling ; Other reactions (Halogenation and oxidation of [alpha]-H) -- Carboxylic acids and derivatives. General ; Carboxylic acids ; Carboxylic acid derivatives -- Conjugated carbonyl compounds. Reduction ; Epoxidation, dihydroxylation, hydroxyamination ; Conjugate addition: heteroatom ; C-C bond formation ; Other reactions -- Conjugated carbonyl compounds. Reduction ; Epoxidation, dihydroxylation, hydroxyamination ; Conjugate addition: heteroatom ; C-C bond formation ; Other reactions -- Nitrogen compounds. Amines ; Imines ; Diazo compounds ; Azides ; Nitro compounds -- Pericyclic reactions. Introduction ; Diels-Alder reactions ; Sigmatropic rearrangements ; Photochemical cycloaddition reactions. |
| Record Nr. | UNINA-9910143408403321 |
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Li Chao-Jun <1963->
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| Hoboken, N.J., : Wiley-Interscience, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Soggetto topico
-
Chemistry, Organic
(670)
- Chemistry (97)
- Organic compounds - Synthesis (73)
- Organic reaction mechanisms (69)
- Chemical reactions (35)