Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
München
Verl. Dr. Hut
2010
|
| Ausgabe: | 1. Aufl. |
| Schriftenreihe: | Analytische Chemie
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | 242 S. Ill., graph. Darst. 210 mm x 148 mm, 380 gr. |
| ISBN: | 9783868534795 |
Internformat
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| 100 | 1 | |a Kummerlöwe, Grit |d 1981- |e Verfasser |0 (DE-588)141568267 |4 aut | |
| 245 | 1 | 0 | |a Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules |c Grit Kummerlöwe |
| 250 | |a 1. Aufl. | ||
| 264 | 1 | |a München |b Verl. Dr. Hut |c 2010 | |
| 300 | |a 242 S. |b Ill., graph. Darst. |c 210 mm x 148 mm, 380 gr. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
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| 490 | 0 | |a Analytische Chemie | |
| 502 | |a Zugl.: München, Techn. Univ., Diss., 2010 | ||
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Datensatz im Suchindex
| _version_ | 1804143189052882944 |
|---|---|
| adam_text | 1 TABLE OF CONTENTS 1 INTRODUCTION 5 2 THEORY 7 2.1 ANISOTROPIE
PARAMETERS 7 2.1.1 DIPOLAR COUPLINGS 7 2.1.2 OTHER ANISOTROPIE EFFECTS 9
2.2 FROM ANISOTROPIE TO RESIDUAL ANISOTROPIE PARAMETERS 10 2.2.1 CONCEPT
OF THE ALIGNMENT TENSOR 11 2.2.2 FLEXIBLE MOLECULES 15 2.3 ALIGNMENT
MEDIA 17 2.3.1 GENERAL TYPES OF ALIGNMENT 17 2.3.2 OVERVIEW OVER
EXISTING ALIGNMENT MEDIA 18 2.3.3 CONSIDERATIONS FOR CHOOSING THE RIGHT
ALIGNMENT MEDIUM 21 2.4 SCALING OF THE ALIGNMENT STRENGTH 27 2.4.1
ADJUSTING THE ALIGNMENT MEDIUM 28 2.4.2 VARIABLE ANGLE NMR 31 2.4.3 GEL
STRETCHING APPARATUS 33 2.5 MEASUREMENT OF RESIDUAL ANISOTROPIE EFFECTS
35 2.5.1 MEASUREMENT OF RCSA 35 2.5.2 MEASUREMENT OF RQCS 36 2.5.3
MEASUREMENT OF RDCS 37 2.6 ANALYSIS OF ANISOTROPIE PARAMETERS 44 2.6.1
GENERAL CONSIDERATIONS 44 2.6.2 USING RDCS FOR VERIFICATION OF A
STRUCTURAL MODEL 45 2.6.3 USING RDCS FOR STRUCTURE REFINEMENT 51 2.6.4
DISCRIMINATION OF ENANTIOMERS AND ABSOLUTE CONFIGURATION 52 2.6.5
ANALYSIS UNDER PRESUMPTION OF THE MOLECULE S ORIENTATION 53 3
DEVELOPMENT OF NEW ALIGNMENT MEDIA 55 3.1 POLYIACRYLONITRILE) 55 3.1.1
INTRODUCTION AND MOTIVATION 55 3.1.2 CROSS-LINKING OF PAN 55 3.1.3
SWELLING AND EQUILIBRATION OF PAN/DMSO GELS 58 3.1.4 NMR-SIGNALS AND
IMPURITIES OF PAN/DMSO GELS 60 BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/100375077X DIGITALISIERT DURCH TABLE OF COATENTE 3.1.5
TUNING THE ALIGNMENT STRENGTH 62 3.1.6 ORIENTATIONAL PROPERTIES 63 3.1.7
CONCLUSION 65 3.2 DEUTERATED POLYSTYRENE 66 3.2.1 INTRODUCTION AND
MOTIVATION 66 3.2.2 PREPARATION OF DPS GELS 66 3.2.3 SPECTRAL QUALITY OF
ID PROTON SPECTRA 67 3.2.4 DEUTERIUM SPECTRUM OF A DPS GEL 68 3.2.5
SPECTRAL QUALITY OF 2D HETERONUCLEAR PROTON-CARBON SPECTRA. 69 3.2.6
SPECTRAL QUALITY OF 2D HOMONUCLEAR PROTON SPECTRA 70 3.2.7 CONCLUSION 73
3.3 DEUTERATED POLYIACIYLONITRILE) 74 3.3.1 INTRODUCTION AND MOTIVATION
74 3.3.2 PREPARATION OF DPAN GELS 74 3.3.3 SPECTRAL QUALITY OF ID PROTON
SPECTRA 75 3.3.4 SPECTRAL QUALITY OF 2D HETERONUCLEAR PROTON-CARBON
SPECTRA. 75 3.3.5 CONCLUSION 76 3.4 COVALENTLY CROSS-LINKED GELATIN 78
3.4.1 INTRODUCTION AND MOTIVATION 78 3.4.2 PREPARATION OF COVALENTLY
CROSS-LINKED GELATIN 79 3.4.3 SWELLING BEHAVIOR OF COVALENTLY
CROSS-LINKED GELATIN 80 3.4.4 STABILITY OF E -GELATM/WATER GELS TOWARDS
TEMPERATURE 81 3.4.5 ENANTIOMERIC DISCRIMINATION IN E~-GELATIN/WATER
GELS 83 3.4.6 INFLUENCE OF CROSS-LINKING ON THE ALIGNMENT PROPERTIES OF
GELATIN 86 3.4.7 PROCHIRAL DISCRIMINATION IN E~-GELATIN/DMSO GELS 87
3.4.8 CONCLUSION 88 3.5 POLYETHYLENE OXIDE) 89 3.5.1 INTRODUCTION AND
MOTIVATION 89 3.52 CROSS-LINKING OF PEO BY IRRADIATION 89 3.5.3
SOLVENT-RANGE OF CROSS-LINKED PEO 93 3.5. TABLE OF CONTENTS 4 NEW WAYS
OF SCALING THE ALIGNMENT 98 4.1 STRETCHING DEVICE FOR POLAR SOLVENTS 98
4.1.1 INTRODUCTION AND MOTIVATION 98 4.1.2 DESIGN OF THE STRETCHING
APPARATUS 99 4.1.3 PRINCIPLE OF GEL-STRETCHING WITHIN THE STRETCHING
APPARATUS 100 4.1.4 APPLICABILITY AND LIMITATIONS OF THE STRETCHING
APPARATUS 102 4.1.5 LINEAR SCALING OF ANISOTROPIE PARAMETERS 104 4.1.6
IMPROVING THE PRECISION OF RDC-MEASUREMENTS 106 4.1.7 CONCLUSION 107 4.2
STRETCHING DEVICE FOR ALL SOLVENTS 109 4.2.1 INTRODUCTION AND MOTIVATION
109 4.2.2 DESIGN OF THE STRETCHING APPARATUS 109 4.2.3 SPECTRAL QUALITY
ILL 4.2.4 APPLICABLE SOLVENT RANGE 112 4.2.5 CONCLUSION 117 5 STRUCTURE
DETERMINATION OF SMALL MOLECULES 118 5.1 CONFIGURATIONAL ANALYSIS OFA
DEGRADATION PRODUCT OF BEER 118 5.1.1 INTRODUCTION AND MOTIVATION 118
5.1.2 POSSIBLE STRUCTURAL MODELS OF TRICYCLOCOHUMOL 121 5.1.3 RDCS AND
J-COUPLINGS MEASURED ON TRICYCLOCOHUMOL 122 5.1.4 CONFIGURATIONAL
ANALYSIS OF TRICYCLOCOHUMOL 123 5.1.5 FITTING RESULTS 124 5.1.6
CONCLUSION 128 5.2 CONFIGURATIONAL AND CONFORMATIONAL ANALYSIS OF
STAUROSPORINE 129 5.2.1 INTRODUCTION AND MOTIVATION 129 5.2.2 POSSIBLE
CONFORMATIONS AND CONFIGURATIONS OF STAUROSPORINE 130 5.2.3 RDCS
MEASURED ON STAUROSPORINE 130 5.2.4 FITTING RESULTS 131 5.2.5 CONCLUSION
133 5.3 SOLVING THE CONSTITUTION OF AN UNKNOWN REACTION PRODUCT 134 5.3.
TABLE OF CONTENTS 5.3.4 RDCS MEASURED FOR THE UNKNOWN COMPOUND 138 5.3.5
STRUCTURAL MODELS USED FOR RDC ANALYSIS 138 5.3.6 FITTING RESULTS 140
5.3.7 DISCUSSION OF PREVIOUS DATA AND VERIFICATION OF THE CONSTITUTIONAL
5.3.8 CONCLUSION 143 5.4 CROSS-FITTING OF RDCS 144 5.4.1 INTRODUCTION
AND MOTIVATION 144 5.4.2 THE GENERAL IDEA OF CROSS-FITTING RDCS 144
5.4.3 TWO STEROIDS AS MODEL COMPOUNDS 145 5.4.4 RDC MEASUREMENTS 147
5.4.5 CALCULATION AND COMPARISON OF ALIGNMENT TENSORS 148 5.4.6
CROSS-FITTING RDCS VIA THE ALIGNMENT TENSOR 149 5.4.7 DIFFERENTIATION OF
DIASTEREOMERS BY CROSS-FITTING RDCS 150 5.4.8 DIFFERENTIATION OF
DIASTEREOMERS WITH REDUCED RDC DATA 152 5.4.9 COMPARISON WITH OTHER
METHODS 155 5.4.10 DIRECT CROSS-FITTING OF RDCS IN FLEXIBLE PARTS 156
5.4.11 LIMITATIONS AND POTENTIALS 157 5.4.12 CONCLUSION 158 6 SUMMARY
159 7 APPENDIX 164 7.1 LIST OF ABBREVIATIONS AND SYMBOLS 164 7.2
SUPPLEMENTAL MATERIAL FOR CHAPTER 3.1 168 7.3 SUPPLEMENTAL MATERIAL FOR
CHAPTER 3.2 174 7.4 SUPPLEMENTAL MATERIAL FOR CHAPTER 3.3 175 7.5
SUPPLEMENTAL MATERIAL FOR CHAPTER 3.4 178 7.6 SUPPLEMENTAL MATERIAL FOR
CHAPTER 3.5 183 7.7 SUPPLEMENTAL MATERIAL FOR CHAPTER 4.1 184 7.8
SUPPLEMENTAL MATERIAL FOR CHAPTER 4.2 188 7.9 SUPPLEMENTAL MATERIAL FOR
CHAPTER 5.1 194 7.10 SUPPLEMENTAL MATERIAL FOR CHAPTER 5.2 195 7.1
|
| any_adam_object | 1 |
| author | Kummerlöwe, Grit 1981- |
| author_GND | (DE-588)141568267 |
| author_facet | Kummerlöwe, Grit 1981- |
| author_role | aut |
| author_sort | Kummerlöwe, Grit 1981- |
| author_variant | g k gk |
| building | Verbundindex |
| bvnumber | BV036590329 |
| classification_tum | CHE 615d CHE 713d CHE 244d |
| ctrlnum | (OCoLC)658326242 (DE-599)DNB100375077X |
| dewey-full | 541.22 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.22 |
| dewey-search | 541.22 |
| dewey-sort | 3541.22 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik Chemie |
| edition | 1. Aufl. |
| format | Thesis Book |
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| indexdate | 2024-07-09T22:43:36Z |
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| isbn | 9783868534795 |
| language | English |
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| physical | 242 S. Ill., graph. Darst. 210 mm x 148 mm, 380 gr. |
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| publishDateSearch | 2010 |
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| publisher | Verl. Dr. Hut |
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| series2 | Analytische Chemie |
| spelling | Kummerlöwe, Grit 1981- Verfasser (DE-588)141568267 aut Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules Grit Kummerlöwe 1. Aufl. München Verl. Dr. Hut 2010 242 S. Ill., graph. Darst. 210 mm x 148 mm, 380 gr. txt rdacontent n rdamedia nc rdacarrier Analytische Chemie Zugl.: München, Techn. Univ., Diss., 2010 Kleines Molekül (DE-588)4164124-3 gnd rswk-swf NMR-Spektroskopie (DE-588)4075421-2 gnd rswk-swf Gel (DE-588)4019868-6 gnd rswk-swf Strukturaufklärung (DE-588)4183788-5 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Kleines Molekül (DE-588)4164124-3 s Strukturaufklärung (DE-588)4183788-5 s NMR-Spektroskopie (DE-588)4075421-2 s Gel (DE-588)4019868-6 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020511053&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Kummerlöwe, Grit 1981- Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules Kleines Molekül (DE-588)4164124-3 gnd NMR-Spektroskopie (DE-588)4075421-2 gnd Gel (DE-588)4019868-6 gnd Strukturaufklärung (DE-588)4183788-5 gnd |
| subject_GND | (DE-588)4164124-3 (DE-588)4075421-2 (DE-588)4019868-6 (DE-588)4183788-5 (DE-588)4113937-9 |
| title | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules |
| title_auth | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules |
| title_exact_search | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules |
| title_full | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules Grit Kummerlöwe |
| title_fullStr | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules Grit Kummerlöwe |
| title_full_unstemmed | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules Grit Kummerlöwe |
| title_short | Measurement and application of anisotropic NMR parameters in stretched polymer gels: structure determination of small molecules |
| title_sort | measurement and application of anisotropic nmr parameters in stretched polymer gels structure determination of small molecules |
| topic | Kleines Molekül (DE-588)4164124-3 gnd NMR-Spektroskopie (DE-588)4075421-2 gnd Gel (DE-588)4019868-6 gnd Strukturaufklärung (DE-588)4183788-5 gnd |
| topic_facet | Kleines Molekül NMR-Spektroskopie Gel Strukturaufklärung Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020511053&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT kummerlowegrit measurementandapplicationofanisotropicnmrparametersinstretchedpolymergelsstructuredeterminationofsmallmolecules |