Availability: Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments

Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments: = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen

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Bibliographic Details
Main Author:	Benkert, Andreas ca. 21. Jh (Author)
Format:	Thesis/Dissertation Book
Language:	English
Published:	Würzburg 2017
Subjects:	XES Methanol Röntgenspektroskopie Peptide Hochschulschrift
Links:	https://nbn-resolving.org/urn:nbn:de:bvb:20-opus-147111 http://d-nb.info/1132730449/04 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029766059&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Physical Description:	vi, 158 Seiten Illustrationen, Diagramme 30 cm

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MARC


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Record in the Search Index

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adam_text	SOFT X-RAY SPECTROSCOPIC STUDY OF METHANOL AND GLYCINE PEPTIDES IN DIFFERENT PHYSICAL ENVIRONMENTS DISSERTATION ZUR ERLANGUNG DES NATURWISSENSCHAFTLICHEN DOKTORGRADES DER JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG VORGELEGT VON ANDREAS BENKERT AUS SCHWEINFURT WUERZBURG 2017 T A B L E OF C O N T E N T S PAGE 1 INTRODUCTION 1 2 METHODOLOGY 5 2.1 SOFT X-RAY SPECTROSCOPY............................................................................. 5 2.1.1 X-RAY ABSORPTION AND EMISSION SPECTROSCOPY .............................. 6 2.1.2 RESONANT INELASTIC SOFT X-RAY SCATTERING ...................................... 8 2.2 DENSITY FUNCTIONAL THEORY ....................................................................... 10 2.2.1 THE KOHN-SHAM EQUATIONS.......................................................... 11 2.2.2 THEORETICAL MODELING OF X-RAY SPECTRA ......................................... 13 2.3 EXPERIMENTAL SETUP.................................................................................. 15 2.3.1 SETUP FOR GASEOUS SAMPLES .......................................................... 17 2.3.2 SETUP FOR SOLID-STATE MEASUREMENTS ............................................ 19 2.3.3 SETUP FOR INVESTIGATING AQUEOUS SOLUTIONS ................................. 20 3 NUCLEAR DYNAMICS AND ISOTOPE EFFECTS IN THE RIXS MAPS OF GAS-PHASE METHANOL 23 3.1 REVIEW: INTERPRETATION OF SOFT X-RAY SPECTRA OF AN ISOLATED METHANOL MOLECULE................................................................. 24 3.2 IMPACT OF NUCLEAR DYNAMICS ON THE ELECTRONIC STRUCTURE AT THE O K EDGE OF GAS-PHASE METHANOL ............................................................................. 27 3.3 THE C K RIXS MAP OF GAS-PHASE M ETHANOL............................................ 35 3.4 SUMMARY AND DISCUSSION.......................................................................... 39 4 GLYCINE AND ITS SMALLEST PEPTIDES IN THE SOLID PHASE 43 4.1 THE X-RAY EMISSION SPECTRUM OF GLYCINE .................................................. 45 4.2 THE ELECTRONIC STRUCTURE OF GLYCINE S SMALLEST PEPTIDES......................... 50 4.2.1 THE N K X-RAY SPECTRA OF GLYCINE AND ITS DIM ER......................... 51 4.2.2 O K EMISSION AND ABSORPTION OF GLYCINE AND DIGLYCINE .............. 62 4.3 SUMMARY AND DISCUSSION ........................................ 69 ABSTRACT 5 X-RAY SPECTROSCOPY OF GLYCINE AND DIGLYCINE IN AQUEOUS SOLUTION 71 5.1 PURE AQUEOUS SOLUTIONS OF GLYCINE AND DIGLYCINE.................................... 72 5.1.1 THE N K ED G E.................................................................................. 73 5.1.2 THE OK ED G E.................................................................................. 78 5.2 THE INFLUENCE OF PH ON THE ELECTRONIC STRUCTURE OF GLYCINE AND DIGLYCINE 81 5.2.1 MANIPULATION OF GLYCINE S FUNCTIONAL GROUPS WITH PH ................. 83 5.2.2 DIGLYCINE IN AQUEOUS SOLUTIONS OF DIFFERENT PH .............................. 89 5.3 ION-SPECIFIC EFFECTS ON THE ELECTRONIC STRUCTURE OF DIGLYCINE ................... 96 5.3.1 IONS INTERACTING WITH THE OXYGEN SITES OF DIGLYCINE ................... 97 5.3.2 IONS INTERACTING WITH THE NITROGEN SITES OF DIGLYCINE .................... 106 5.4 SUMMARY..................................................................................................... 116 6 CONCLUSION AND OUTLOOK 119 A APPENDIX 123 BIBLIOGRAPHY 131 OWN PUBLICATIONS 153 DANKSAGUNG 155
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spellingShingle	Benkert, Andreas ca. 21. Jh Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen XES (DE-588)10304200-3 gnd Methanol (DE-588)4128696-0 gnd Röntgenspektroskopie (DE-588)4050331-8 gnd Peptide (DE-588)4045125-2 gnd
subject_GND	(DE-588)10304200-3 (DE-588)4128696-0 (DE-588)4050331-8 (DE-588)4045125-2 (DE-588)4113937-9
title	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen
title_alt	Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen
title_auth	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen
title_exact_search	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen
title_full	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen vorgelegt von Andreas Benkert aus Schweinfurt
title_fullStr	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen vorgelegt von Andreas Benkert aus Schweinfurt
title_full_unstemmed	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments = Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen vorgelegt von Andreas Benkert aus Schweinfurt
title_short	Soft x-ray spectroscopic study of methanol and glycine peptides in different physical environments
title_sort	soft x ray spectroscopic study of methanol and glycine peptides in different physical environments weichrontgenspektroskopische untersuchung von methanol und glycin peptiden in unterschiedlichen physischen umgebungen
title_sub	= Weichröntgenspektroskopische Untersuchung von Methanol und Glycin Peptiden in unterschiedlichen physischen Umgebungen
topic	XES (DE-588)10304200-3 gnd Methanol (DE-588)4128696-0 gnd Röntgenspektroskopie (DE-588)4050331-8 gnd Peptide (DE-588)4045125-2 gnd
topic_facet	XES Methanol Röntgenspektroskopie Peptide Hochschulschrift
url	https://nbn-resolving.org/urn:nbn:de:bvb:20-opus-147111 http://d-nb.info/1132730449/04 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=029766059&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
work_keys_str_mv	AT benkertandreas softxrayspectroscopicstudyofmethanolandglycinepeptidesindifferentphysicalenvironmentsweichrontgenspektroskopischeuntersuchungvonmethanolundglycinpeptideninunterschiedlichenphysischenumgebungen AT benkertandreas weichrontgenspektroskopischeuntersuchungvonmethanolundglycinpeptideninunterschiedlichenphysischenumgebungen

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