Macrocyclic chemistry :: new research developments /
Gespeichert in:
| Weitere Verfasser: | , |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Hauppauge, N.Y. :
Nova Science Publishers,
©2010.
|
| Schriftenreihe: | Chemistry research and applications series.
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | 1 online resource |
| Bibliographie: | Includes bibliographical references and index. |
| ISBN: | 9781612092553 1612092551 |
Internformat
MARC
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| 245 | 0 | 0 | |a Macrocyclic chemistry : |b new research developments / |c Dániel W. Fitzpatrick and Henry J. Ulrich, editors. |
| 264 | 1 | |a Hauppauge, N.Y. : |b Nova Science Publishers, |c ©2010. | |
| 300 | |a 1 online resource | ||
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| 490 | 1 | |a Chemistry research and applications | |
| 504 | |a Includes bibliographical references and index. | ||
| 588 | 0 | |a Print version record. | |
| 546 | |a English. | ||
| 505 | 0 | |a MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; CONTENTS ; PREFACE ; TETRAAZACYCLOTETRADECANE SPECIES AS MODELS OF THE POLYAZACROWN MACROCYCLES: MOLECULAR STRUCTURE AND REORGANIZATIONS IN AQUEOUS MEDIA (PH 0-14) AS PROBED BY NMR SPECTROSCOPY AND COMPUTATIONAL METHODS -- PROBLEMS AND SOLUTIONS; ABSTRACT ; 1. INTRODUCTION -- AZACROWNS AS MULTIPURPOSE LIGANDS OR RECEPTORS (STRUCTURAL ASPECTS) ; 2. NMR SPECTROSCOPY OF TETRAAZACYCLOTETRADECANES AND STRUCTURALLY SIMILAR POLYAZA MACRORINGS. | |
| 505 | 8 | |a 2.1. NMR Measurements for Polyamines in Aqueous Solutions (General Remarks) 2.2. Determining Protonation Mechanisms Through NMR pH-Titration Spectroscopy ; 2.2.1. Amino protonation-induced changes in eXs ; 2.2.2. Use of empirical 'shielding constants' ; 2.2.3. Use of empirical 'amine shift parameters' ; 2.2.4. Similarity of pH-titration profiles (1H and 13C NMR spectra) ; 2.2.5. 13C NMR line-broadening effects; 2.3. pH-Driven Internal Dynamics in Azacrowns as Probed by the 13C T1 Rates [83] | |
| 505 | 8 | |a 2.4. Polyamine 3 in the Strongly Acidic Medium: a Rejection of the Working Proposal of an Active Participation of the Nitrate Anion [85] 3. COMPUTATIONAL METHODS FOR AZACROWN MACROCYCLES AND RELATED POLYPROTONATED SPECIES ; 3.1. MMX vs. OPLS-AA Force Field (Creation of Initial Molecular Models) ; 3.2. Overall Conformations of the Macrocycles Forced by Their Dynamics ; 3.3. Empirically Corrected (Linearly Scaled) DFT GIAO-based Predictions of eXs for Aqueous Solutions; 3.4. Behind a 'Free-Molecule' Approach ; 4. POLYAZA AND OTHER MACROCYCLES -- SOME CURRENT ACHIEVEMENTS ; 5. CONCLUSION. | |
| 505 | 8 | |a ABSTRACT 1. INTRODUCTION ; 2. AN APPROXIMATE EVALUATION OF POSSIBLE INFLUENCE FACTORS ON THE INTERMOLECULAR INTERACTIONS BETWEEN CDS AND GUESTS; 3. A CAREFUL COMPARISON OF THE INCLUSION INTERACTIONS BETWEEN CDS AND A SERIES OF ANALOGUES ; 4. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL D ; 5. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL C ; 6. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL B ; 7. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL A; 8. THE DISCRIMINATION BEHAVIOR OF THE SAME GUEST TO A GROUP CDS ; 9. SEVERAL EXAMPLES OF CD INCLUSION COMPLEXES WITH STOICHIOMETRIES OTHER THAN 1:1. | |
| 650 | 0 | |a Macrocyclic compounds. |0 http://id.loc.gov/authorities/subjects/sh92002788 | |
| 650 | 6 | |a Composés macrocycliques. | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Organic. |2 bisacsh | |
| 650 | 7 | |a Macrocyclic compounds |2 fast | |
| 700 | 1 | |a Fitzpatrick, Dániel W., |e editor. | |
| 700 | 1 | |a Ulrich, Henry J., |e editor. | |
| 758 | |i has work: |a Macrocyclic chemistry (Text) |1 https://id.oclc.org/worldcat/entity/E39PD3YdFWRkBcFydJGB3xY8bq |4 https://id.oclc.org/worldcat/ontology/hasWork | ||
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Datensatz im Suchindex
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| author2 | Fitzpatrick, Dániel W. Ulrich, Henry J. |
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| author_facet | Fitzpatrick, Dániel W. Ulrich, Henry J. |
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| contents | MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; CONTENTS ; PREFACE ; TETRAAZACYCLOTETRADECANE SPECIES AS MODELS OF THE POLYAZACROWN MACROCYCLES: MOLECULAR STRUCTURE AND REORGANIZATIONS IN AQUEOUS MEDIA (PH 0-14) AS PROBED BY NMR SPECTROSCOPY AND COMPUTATIONAL METHODS -- PROBLEMS AND SOLUTIONS; ABSTRACT ; 1. INTRODUCTION -- AZACROWNS AS MULTIPURPOSE LIGANDS OR RECEPTORS (STRUCTURAL ASPECTS) ; 2. NMR SPECTROSCOPY OF TETRAAZACYCLOTETRADECANES AND STRUCTURALLY SIMILAR POLYAZA MACRORINGS. 2.1. NMR Measurements for Polyamines in Aqueous Solutions (General Remarks) 2.2. Determining Protonation Mechanisms Through NMR pH-Titration Spectroscopy ; 2.2.1. Amino protonation-induced changes in eXs ; 2.2.2. Use of empirical 'shielding constants' ; 2.2.3. Use of empirical 'amine shift parameters' ; 2.2.4. Similarity of pH-titration profiles (1H and 13C NMR spectra) ; 2.2.5. 13C NMR line-broadening effects; 2.3. pH-Driven Internal Dynamics in Azacrowns as Probed by the 13C T1 Rates [83] 2.4. Polyamine 3 in the Strongly Acidic Medium: a Rejection of the Working Proposal of an Active Participation of the Nitrate Anion [85] 3. COMPUTATIONAL METHODS FOR AZACROWN MACROCYCLES AND RELATED POLYPROTONATED SPECIES ; 3.1. MMX vs. OPLS-AA Force Field (Creation of Initial Molecular Models) ; 3.2. Overall Conformations of the Macrocycles Forced by Their Dynamics ; 3.3. Empirically Corrected (Linearly Scaled) DFT GIAO-based Predictions of eXs for Aqueous Solutions; 3.4. Behind a 'Free-Molecule' Approach ; 4. POLYAZA AND OTHER MACROCYCLES -- SOME CURRENT ACHIEVEMENTS ; 5. CONCLUSION. ABSTRACT 1. INTRODUCTION ; 2. AN APPROXIMATE EVALUATION OF POSSIBLE INFLUENCE FACTORS ON THE INTERMOLECULAR INTERACTIONS BETWEEN CDS AND GUESTS; 3. A CAREFUL COMPARISON OF THE INCLUSION INTERACTIONS BETWEEN CDS AND A SERIES OF ANALOGUES ; 4. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL D ; 5. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL C ; 6. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL B ; 7. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL A; 8. THE DISCRIMINATION BEHAVIOR OF THE SAME GUEST TO A GROUP CDS ; 9. SEVERAL EXAMPLES OF CD INCLUSION COMPLEXES WITH STOICHIOMETRIES OTHER THAN 1:1. |
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| discipline | Chemie / Pharmazie |
| format | Electronic eBook |
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| illustrated | Not Illustrated |
| indexdate | 2024-10-25T15:50:47Z |
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| language | English |
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| series2 | Chemistry research and applications |
| spelling | Macrocyclic chemistry : new research developments / Dániel W. Fitzpatrick and Henry J. Ulrich, editors. Hauppauge, N.Y. : Nova Science Publishers, ©2010. 1 online resource text txt rdacontent computer c rdamedia online resource cr rdacarrier Chemistry research and applications Includes bibliographical references and index. Print version record. English. MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; CONTENTS ; PREFACE ; TETRAAZACYCLOTETRADECANE SPECIES AS MODELS OF THE POLYAZACROWN MACROCYCLES: MOLECULAR STRUCTURE AND REORGANIZATIONS IN AQUEOUS MEDIA (PH 0-14) AS PROBED BY NMR SPECTROSCOPY AND COMPUTATIONAL METHODS -- PROBLEMS AND SOLUTIONS; ABSTRACT ; 1. INTRODUCTION -- AZACROWNS AS MULTIPURPOSE LIGANDS OR RECEPTORS (STRUCTURAL ASPECTS) ; 2. NMR SPECTROSCOPY OF TETRAAZACYCLOTETRADECANES AND STRUCTURALLY SIMILAR POLYAZA MACRORINGS. 2.1. NMR Measurements for Polyamines in Aqueous Solutions (General Remarks) 2.2. Determining Protonation Mechanisms Through NMR pH-Titration Spectroscopy ; 2.2.1. Amino protonation-induced changes in eXs ; 2.2.2. Use of empirical 'shielding constants' ; 2.2.3. Use of empirical 'amine shift parameters' ; 2.2.4. Similarity of pH-titration profiles (1H and 13C NMR spectra) ; 2.2.5. 13C NMR line-broadening effects; 2.3. pH-Driven Internal Dynamics in Azacrowns as Probed by the 13C T1 Rates [83] 2.4. Polyamine 3 in the Strongly Acidic Medium: a Rejection of the Working Proposal of an Active Participation of the Nitrate Anion [85] 3. COMPUTATIONAL METHODS FOR AZACROWN MACROCYCLES AND RELATED POLYPROTONATED SPECIES ; 3.1. MMX vs. OPLS-AA Force Field (Creation of Initial Molecular Models) ; 3.2. Overall Conformations of the Macrocycles Forced by Their Dynamics ; 3.3. Empirically Corrected (Linearly Scaled) DFT GIAO-based Predictions of eXs for Aqueous Solutions; 3.4. Behind a 'Free-Molecule' Approach ; 4. POLYAZA AND OTHER MACROCYCLES -- SOME CURRENT ACHIEVEMENTS ; 5. CONCLUSION. ABSTRACT 1. INTRODUCTION ; 2. AN APPROXIMATE EVALUATION OF POSSIBLE INFLUENCE FACTORS ON THE INTERMOLECULAR INTERACTIONS BETWEEN CDS AND GUESTS; 3. A CAREFUL COMPARISON OF THE INCLUSION INTERACTIONS BETWEEN CDS AND A SERIES OF ANALOGUES ; 4. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL D ; 5. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL C ; 6. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL B ; 7. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL A; 8. THE DISCRIMINATION BEHAVIOR OF THE SAME GUEST TO A GROUP CDS ; 9. SEVERAL EXAMPLES OF CD INCLUSION COMPLEXES WITH STOICHIOMETRIES OTHER THAN 1:1. Macrocyclic compounds. http://id.loc.gov/authorities/subjects/sh92002788 Composés macrocycliques. SCIENCE Chemistry Organic. bisacsh Macrocyclic compounds fast Fitzpatrick, Dániel W., editor. Ulrich, Henry J., editor. has work: Macrocyclic chemistry (Text) https://id.oclc.org/worldcat/entity/E39PD3YdFWRkBcFydJGB3xY8bq https://id.oclc.org/worldcat/ontology/hasWork Print version: Macrocyclic chemistry. Hauppauge, N.Y. : Nova Science Publishers, ©2010 9781608768967 (DLC) 2009052736 Chemistry research and applications series. http://id.loc.gov/authorities/names/no2010013392 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=346061 Volltext CBO01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=346061 Volltext |
| spellingShingle | Macrocyclic chemistry : new research developments / Chemistry research and applications series. MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; CONTENTS ; PREFACE ; TETRAAZACYCLOTETRADECANE SPECIES AS MODELS OF THE POLYAZACROWN MACROCYCLES: MOLECULAR STRUCTURE AND REORGANIZATIONS IN AQUEOUS MEDIA (PH 0-14) AS PROBED BY NMR SPECTROSCOPY AND COMPUTATIONAL METHODS -- PROBLEMS AND SOLUTIONS; ABSTRACT ; 1. INTRODUCTION -- AZACROWNS AS MULTIPURPOSE LIGANDS OR RECEPTORS (STRUCTURAL ASPECTS) ; 2. NMR SPECTROSCOPY OF TETRAAZACYCLOTETRADECANES AND STRUCTURALLY SIMILAR POLYAZA MACRORINGS. 2.1. NMR Measurements for Polyamines in Aqueous Solutions (General Remarks) 2.2. Determining Protonation Mechanisms Through NMR pH-Titration Spectroscopy ; 2.2.1. Amino protonation-induced changes in eXs ; 2.2.2. Use of empirical 'shielding constants' ; 2.2.3. Use of empirical 'amine shift parameters' ; 2.2.4. Similarity of pH-titration profiles (1H and 13C NMR spectra) ; 2.2.5. 13C NMR line-broadening effects; 2.3. pH-Driven Internal Dynamics in Azacrowns as Probed by the 13C T1 Rates [83] 2.4. Polyamine 3 in the Strongly Acidic Medium: a Rejection of the Working Proposal of an Active Participation of the Nitrate Anion [85] 3. COMPUTATIONAL METHODS FOR AZACROWN MACROCYCLES AND RELATED POLYPROTONATED SPECIES ; 3.1. MMX vs. OPLS-AA Force Field (Creation of Initial Molecular Models) ; 3.2. Overall Conformations of the Macrocycles Forced by Their Dynamics ; 3.3. Empirically Corrected (Linearly Scaled) DFT GIAO-based Predictions of eXs for Aqueous Solutions; 3.4. Behind a 'Free-Molecule' Approach ; 4. POLYAZA AND OTHER MACROCYCLES -- SOME CURRENT ACHIEVEMENTS ; 5. CONCLUSION. ABSTRACT 1. INTRODUCTION ; 2. AN APPROXIMATE EVALUATION OF POSSIBLE INFLUENCE FACTORS ON THE INTERMOLECULAR INTERACTIONS BETWEEN CDS AND GUESTS; 3. A CAREFUL COMPARISON OF THE INCLUSION INTERACTIONS BETWEEN CDS AND A SERIES OF ANALOGUES ; 4. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL D ; 5. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL C ; 6. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL B ; 7. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL A; 8. THE DISCRIMINATION BEHAVIOR OF THE SAME GUEST TO A GROUP CDS ; 9. SEVERAL EXAMPLES OF CD INCLUSION COMPLEXES WITH STOICHIOMETRIES OTHER THAN 1:1. Macrocyclic compounds. http://id.loc.gov/authorities/subjects/sh92002788 Composés macrocycliques. SCIENCE Chemistry Organic. bisacsh Macrocyclic compounds fast |
| subject_GND | http://id.loc.gov/authorities/subjects/sh92002788 |
| title | Macrocyclic chemistry : new research developments / |
| title_auth | Macrocyclic chemistry : new research developments / |
| title_exact_search | Macrocyclic chemistry : new research developments / |
| title_full | Macrocyclic chemistry : new research developments / Dániel W. Fitzpatrick and Henry J. Ulrich, editors. |
| title_fullStr | Macrocyclic chemistry : new research developments / Dániel W. Fitzpatrick and Henry J. Ulrich, editors. |
| title_full_unstemmed | Macrocyclic chemistry : new research developments / Dániel W. Fitzpatrick and Henry J. Ulrich, editors. |
| title_short | Macrocyclic chemistry : |
| title_sort | macrocyclic chemistry new research developments |
| title_sub | new research developments / |
| topic | Macrocyclic compounds. http://id.loc.gov/authorities/subjects/sh92002788 Composés macrocycliques. SCIENCE Chemistry Organic. bisacsh Macrocyclic compounds fast |
| topic_facet | Macrocyclic compounds. Composés macrocycliques. SCIENCE Chemistry Organic. Macrocyclic compounds |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=346061 |
| work_keys_str_mv | AT fitzpatrickdanielw macrocyclicchemistrynewresearchdevelopments AT ulrichhenryj macrocyclicchemistrynewresearchdevelopments |