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1

Zhang, Xiaoning. "STRUCTURES AND REACTIONS OF BIOMOLECULES AT INTERFACES." UKnowledge, 2013. http://uknowledge.uky.edu/chemistry_etds/16.

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This dissertation serves to study a protein's conformation-function relationship since immobilized proteins often behave differently from their solution-state counterparts. Therefore, this study is important to the application of protein-based biodevices. Another aim of this dissertation is to explore a new approach to realize low voltage electrowetting without the help of oil bath. Utilizing this approach, a protein micro-separation was realized. Additionally, the interfacial properties of ionic liquid (IL) solid-like layer, which played a key role in electrowetting, was studied for further d
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2

Domanova, Olga [Verfasser]. "Automated quantitative analysis methods for translocation of biomolecules in relation to membrane structures / Olga Domanova." Aachen : Hochschulbibliothek der Rheinisch-Westfälischen Technischen Hochschule Aachen, 2013. http://d-nb.info/1046979191/34.

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3

Marushchak, Denys. "Fluorescence studies of complex systems : organisation of biomolecules." Doctoral thesis, Umeå : Department of Chemistry, Umeå University, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-979.

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4

Melarkode, Vattekatte Akhila. "3D structures of camelid antibodies : in-silico analyses, prediction and their dynamics." Thesis, La Réunion, 2019. http://www.theses.fr/2019LARE0020.

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Les anticorps sont les nouveaux blockbusters au niveau des médicaments. Les anticorps de camélidés, à savoir les domaines VHH, constituent la prochaine génération de traitements et de diagnostics basés sur les anticorps. Pour améliorer nos connaissances sur ces VHH, il est essentiel d'avoir une meilleure vision de la relation séquence, structure et dynamique de ces protéines, et ceci afin d'améliorer leur affinité et leur stabilité. Dans une première étape, une analyse en profondeur des séquences et de la structure des VHHs est effectuée à l'aide d'approches classiques, mais également d'un alp
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5

Souza, Jairo Cavalcante de. "\"Implementação da técnica de correlações angulares perturbadas no laboratório Pelletron para estudo de estruturas e interações de biomoléculas\"." Universidade de São Paulo, 2007. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-24042007-154751/.

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Este trabalho de mestrado trata da implementação de um espectrômetro de correlações angulares perturbadas no Laboratório do Acelerador Pelletron do Instituto de Física da Universidade de São Paulo. O espectrômetro é formado por seis detectores cintiladores com cristais de \'BaF IND.2\', de 3 polegadas de diâmetro por 6 de comprimento, com um sistema eletrônico e de aquisição de dados multiparamétrico padrão CAMAC. Diferentemente do usual, os espectros de energia dos raios gama dos núcleos de prova são adquiridos para cada detector, o que permite manter um controle maior sobre todo o experiment
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6

Nigen, Michaël. "Interactions et assemblages entre l'alpha lactalbumine et le lysozyme: mécanismes, structures et stabilité." Phd thesis, Agrocampus - Ecole nationale supérieure d'agronomie de rennes, 2008. http://tel.archives-ouvertes.fr/tel-00438402.

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L'assemblage des protéines est une problématique fondamentale d'intérêt pour différents secteurs (alimentaire, médical, pharmaceutique, etc.). La compréhension des mécanismes à l'origine des interactions initiales et des assemblages protéiques offre la possibilité de contrôler et d'orienter le processus de formation ainsi que la nature et les propriétés fonctionnelles des structures supramoléculaires résultantes. L'objectif de la thèse était d'acquérir de nouvelles connaissances à différentes échelles d'étude sur les mécanismes d'assemblages protéiques et les structures supramoléculaires dans
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7

De, Brevern Alexandre. "Nouvelles stratégies d'analyses et de prédiction des structures tridimensionnelles des protéines." Phd thesis, Université Paris-Diderot - Paris VII, 2001. http://tel.archives-ouvertes.fr/tel-00133819.

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Caractériser la structure tridimensionnelle des protéines avec les structures secondaires classiques est assez pauvre structurellement. Nous avons donc développé une nouvelle méthodologie pour concevoir des séries de petits prototypes moyens nommés Blocs Protéiques (BPs) qui permettent une bonne approximation des structures protéiques. L'analyse de la spécificité des blocs protéiques a montré leur stabilité et leur spécificité sur le plan structural. Le choix final du nombre de BPs est associé a une prédiction locale correcte.<br />Cette prédiction se base avec une méthode bayésienne qui perme
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8

Chabadel, Anne. "STRUCTURES, STABILITÉ ET FONCTIONS DU CYTOSQUELETTE D'ACTINE DANS LES OSTÉOCLASTES MÂTURES." Phd thesis, Ecole normale supérieure de lyon - ENS LYON, 2007. http://tel.archives-ouvertes.fr/tel-00165656.

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L'ostéoclaste est une cellule spécialisée dans la résorption de la matrice osseuse. Elle présente une organisation différente de l'actine selon les substrats sur lesquels elle est ensemencée. Sur verre ou plastique, l'actine est sous forme de "podosomes", alors que sur un substrat résorbable, elle se ré-organise en une ceinture conttinue, la zone de scellement (SZ). L'étude de cellules déficientes en WIP nous a permis de démontrer qu'un ostéoclaste sur verre forme 2 domaines d'actine distincts: les coeurs de podosomes et le nuage. Ces 2 domaines sont induits par différents récepteurs, CD44 et
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9

HECKER, Arnaud. "Production, fonction et localisation d'Orchestine: calciprotéine spécifique de la matrice organique des structures minéralisées élaborées par le crustacé terrestre Orchestia cavimana." Phd thesis, Université de Bourgogne, 2002. http://tel.archives-ouvertes.fr/tel-00003662.

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Comme la plupart des Crustacés, Orchestia cavimana possède un exosquelette minéralisé qu'il renouvelle cycliquement. Du fait des mœurs terrestres de cet animal, ces cycles de mue sont associés à des processus de stockage et de résorption de calcium. Le stockage a lieu sous forme de concrétions calcaires au niveau de diverticules de l'intestin moyen appelés cæcums postérieurs. Les concrétions calcaires sont essentiellement constituées de carbonate de calcium amorphe précipité au sein d'une matrice organique comprenant une fraction protéique soluble et une autre insoluble dans un tampon contenan
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10

Gallé, Matthias. "Searching for Compact Hierarchical Structures in DNA by means of the Smallest Grammar Problem." Phd thesis, Université Rennes 1, 2011. http://tel.archives-ouvertes.fr/tel-00595494.

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Motivé par la découverte automatique de la structure hiérarchique de séquences d'ADN, nous nous intéressons au probléme classique de la recherche de la plus petite grammaire algébrique générant exactement une séquence donnée. Ce probléme NP-dur a été largement étudié pour des applications comme la compression de données, la découverte de structure et la théorie algorithmique de l'information. Nous proposons de décomposer ce probléme en deux problémes d'optimisation complémentaires. Le premier consiste á choisir les chaînes de la séquence qui seront les constituants de la grammaire finale alors
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11

Bane, Danielle Nichole. "A Resonant Capacitive Test Structure for Biomolecule Sensing." University of Dayton / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=dayton1437658452.

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12

Vincensini, Laetitia. "Analyse protéomique et fonctionnelle des structures de Maurer, un compartiment sécrétoire de Plasmodium falciparum impliqué dans son développement érythrocytaire." Phd thesis, Université Pierre et Marie Curie - Paris VI, 2005. http://tel.archives-ouvertes.fr/tel-00009549.

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Le développement érythrocytaire de Plasmodium falciparum, l'agent du paludisme, est responsable de tous les symptômes liés à la maladie. Les formes sanguines du parasite possèdent plusieurs organites qui se sont révélés essentiels au développement intra-érythrocytaire. Parmi ceux-ci, nous nous sommes intéressés à un compartiment tout à fait original connu sous le nom de structures de Maurer. Ce compartiment, qui présente des caractéristiques de Golgi, est localisé dans le cytoplasme de la cellule hôte et assure le transfert de protéines parasitaires à la membrane érythrocytaire. Les structures
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13

Conrad, Andrew Ryan. "Rotational Spectroscopy of Biomolecules." Kent State University / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=kent1309478136.

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14

Cerutti, David. "Models for solvated biomolecular structures." Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2007. http://wwwlib.umi.com/cr/ucsd/fullcit?p3259620.

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Thesis (Ph. D.)--University of California, San Diego, 2007.<br>Title from first page of PDF file (viewed June 21, 2007). Available via ProQuest Digital Dissertations. Vita. Includes bibliographical references (p. 142-157).
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15

Mark, Pekka. "Molecular dynamics studies of water and biomolecules /." Stockholm, 2002. http://diss.kib.ki.se/2002/91-7349-251-5.

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16

Rodger, Alison. "Molecular aspects of biomolecule structure and function." University of Sydney. Chemistry, 2002. http://hdl.handle.net/2123/516.

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All biological processes are fundamentally inter-molecular interactions. In order to understand, and hence control, biomolecular structure and function, methods are required that probe biological systems at the molecular level, ideally with those molecules being in their native environment. The research summarized herein has at its core the development and application of ultra violet (UV)-visible spectrophotometric techniquies for this prupose, in particular circular dichrosim (CD) and linear dichrosim (LD) but also absorbance, fluorescence and resonance light scattering. The spectroscopy is
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17

Vicens, Quentin. "Structures cristallographiques de complexes entre des fragments d'acides ribonucléiques comportant le site A ribosomique et des antibiotiques de la famille des aminoglycosides." Phd thesis, Université Louis Pasteur - Strasbourg I, 2002. http://tel.archives-ouvertes.fr/tel-00003572.

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Les aminoglycosides, des dérivés aminés de saccharides, interfèrent avec le mécanisme de synthèse des protéines chez les bactéries en se fixant au site de décodage de l'ARN de transfert aminoacylé (site A) situé en 3' de l'ARN ribosomique 16S. Au cours de ce travail de thèse, les structures de trois complexes entre des fragments d'ARN incorporant le site A et les aminoglycosides paromomycine, tobramycine et généticine, ont été résolues par cristallographie aux rayons X à 2,40-2,54 Å. L'analyse des structures montre que la reconnaissance et la fixation spécifiques des aminoglycosides au site A
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18

Louie, Elizabeth April. "Solid-State NMR : investigations of biomolecular structure /." Thesis, Connect to this title online; UW restricted, 2005. http://hdl.handle.net/1773/8488.

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19

Karki, Santosh. "Laser Electrospray Mass Spectrometry for Structural Analysis of Biomolecules." Diss., Temple University Libraries, 2017. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/434619.

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Chemistry<br>Ph.D.<br>This dissertation elucidates a greater understanding of protein folding and unfolding processes during the lifetimes of electrospray and nano-spray droplets in laser electrospray mass spectrometry (LEMS) and nano-laser electrospray mass spectrometry (nano-LEMS) measurements, respectively. The similarity in mass spectral features obtained from conventional electrospray measurements for supercharged proteins with those of LEMS measurements suggested that supercharging phenomena occurs in the electrospray droplets during the droplet desolvation process. It was observed that
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20

Asami, Sam [Verfasser], Bernd [Akademischer Betreuer] Reif, Andreas [Akademischer Betreuer] Möglich, and Hartmut [Akademischer Betreuer] Oschkinat. "Method development for biomolecular solid-state NMR spectroscopy : accessing structure and dynamics of biomolecules in the solid-state / Sam Asami. Gutachter: Bernd Reif ; Andreas Möglich ; Hartmut Oschkinat." Berlin : Humboldt Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://d-nb.info/1060425262/34.

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Asami, Sam [Verfasser], Bernd Akademischer Betreuer] Reif, Andreas [Akademischer Betreuer] Möglich, and Hartmut [Akademischer Betreuer] [Oschkinat. "Method development for biomolecular solid-state NMR spectroscopy : accessing structure and dynamics of biomolecules in the solid-state / Sam Asami. Gutachter: Bernd Reif ; Andreas Möglich ; Hartmut Oschkinat." Berlin : Humboldt Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2014. http://nbn-resolving.de/urn:nbn:de:kobv:11-100220957.

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22

Molano-Arévalo, Juan Camilo. "Conformational Dynamics of Biomolecules by Trapped Ion Mobility Spectrometry Dynamics." FIU Digital Commons, 2018. https://digitalcommons.fiu.edu/etd/3647.

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One of the main goals in structural biology is to understand the folding mechanisms and three-dimensional structure of biomolecules. Many biomolecular systems adopt multiple structures as a function of their microenvironment, which makes them difficult to be characterized by traditional structural biology tools (e.g., NMR, X-ray crystallography). As an alternative, complementary tools that can capture and sample multiple conformations needed to be developed. In the present work, we pioneered the application of a new variant of ion mobility spectrometry, trapped ion mobility spectrometry (TIMS)
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23

Machat, Mohamed. "Computational geometry for the determination of biomolecular structures." Thesis, Paris 6, 2017. http://www.theses.fr/2017PA066359/document.

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En bioinformatique structurale, une partie des méthodes computationnelles qui calculent les structures de protéines à l'aide de données expérimentales, effectuent une optimisation de la position des atomes sous les contraintes expérimentales mesurées sur le système étudié, ainsi que sous des contraintes provenant de la connaissance générique de la stéréochimie organique. Ces méthodes d'optimisation présentent l'inconvénient de ne pas garantir la détermination de la meilleure solution. De plus, la validation de l'optimisation se fait en comparant les résultats obtenus pour des calculs répétés,
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Janosi, Lorant. "Multiscale modeling of biomolecular systems." Diss., Columbia, Mo. : University of Missouri-Columbia, 2007. http://hdl.handle.net/10355/4801.

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Thesis (Ph. D.)--University of Missouri-Columbia, 2007.<br>The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file. Title from title screen of research.pdf file (viewed on February 14, 2008) Vita. Includes bibliographical references.
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Massad, Tariq. "Structural Studies of Flexible Biomolecules and a DNA-binding Protein." Doctoral thesis, Stockholms universitet, Institutionen för biokemi och biofysik, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-42009.

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The knowledge of the three-dimensional structures of proteins and polypeptides is essential to understand their functions. The work shown in this thesis has two objectives. The first one is to develop a new analytical method based on maximum entropy (ME) theory to analyze NMR experimental data such as NOEs and J-couplings in order to reconstitute φ,ψ Ramachandran plots of flexible biomolecules. Two model systems have been used, the flexible polypeptide motilin and the disaccharide α-D-Mannosep-(1-2)-α-D-Mannosep-O-Me (M2M). The experimental data was defined as constraints that were combined wi
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Delmotte, Antoine Pierre Valere. "All-scale structural analysis of biomolecules through dynamical graph partitioning." Thesis, Imperial College London, 2014. http://hdl.handle.net/10044/1/29861.

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From femtosecond bond vibrations to millisecond domain motions, the dynamics of biomolecules spans a wide range of time and length scales. This hierarchy of overlapping scales links the molecular and biophysical details to key aspects of their functionality. However, the span of scales combined with their intricate coupling rapidly drives atomic simulation methods to their limits, thereby often resulting in the need for coarse-graining techniques which cannot take full account of the biochemical details. To overcome this tradeoff, a graph-theoretical framework inspired by multiscale community
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Mareš, Jiří. "Structure, folding and interactions of membrane-associated biomolecules studied by NMR /." [S.l.] : [s.n.], 2009. http://opac.nebis.ch/cgi-bin/showAbstract.pl?sys=000286575.

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Myung, Sunnie. "Developing ion mobility methods for studying structure and assembly of biomolecules." [Bloomington, Ind.] : Indiana University, 2006. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3238509.

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Thesis (Ph. D.)--Indiana University, Dept. of Chemistry, 2006.<br>"Title from dissertation home page (viewed July 16, 2007)." Source: Dissertation Abstracts International, Volume: 67-10, Section: B, page: 5718. Adviser: David E. Clemmer.
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Chen, Chang-Nan. "Structure, characterization and kinetics of nickel complexes and reactions with biomolecules." Scholarly Commons, 2003. https://scholarlycommons.pacific.edu/uop_etds/2615.

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The macrocyclic square planar nickel complex, [Ni II CR] 2+ , has been shown to be a useful DNA or RNA structure probe due to its highly site- and conformation specific ability to induce cleavage on exposed guanine residues via the formation of a direct guanine N7-Ni III bond. Since the postulated intermediate [Ni III CR] 3+ is unstable, the detailed mechanism is unknown. In this study, the nature of the interaction of NiCR 2+ and its oxidized products with biomolecules was investigated. A study of the conversion of [Ni II CR] 2+ between a diamagnetic square planar structure and a paramagnetic
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Bahceci, Suleyman. "The electron-conformational method of molecular modeling in drug design and structure-activity relationships /." Digital version accessible at:, 1999. http://wwwlib.umi.com/cr/utexas/main.

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31

Sahakyan, Aleksandr B. "Extending the boundaries of the usage of NMR chemical shifts in deciphering biomolecular structure and dynamics." Thesis, University of Cambridge, 2012. https://www.repository.cam.ac.uk/handle/1810/243642.

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NMR chemical shifts have an extremely high information content on the behaviour of macromolecules, owing to their non-trivial dependence on myriads of structural and environmental factors. Although such complex dependence creates an initial barrier for their use for the characterisation of the structures of protein and nucleic acids, recent developments in prediction methodologies and their successful implementation in resolving the structures of these molecules have clearly demonstrated that such barrier can be crossed. Furthermore, the significance of chemical shifts as useful observables in
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Yang, Yinhua. "Application of biomolecular NMR spectroscopy for protein structure determination." Click to view the E-thesis via HKUTO, 2009. http://sunzi.lib.hku.hk/hkuto/record/B42182013.

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33

Wolak, Matthaeus Anton. "The Electronic Structure of Biomolecular Self-Assembled Monolayers." Scholar Commons, 2012. http://scholarcommons.usf.edu/etd/4258.

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The studies presented here address the characterization of the electronic structure of various self-assembled monolayers (SAMs) of peptide nucleic acid (PNA) and tetraphenylporphyrin (TPP) SAMs and arrays, formed on gold substrates. PNA is a promising alternative to DNA for bio-sensing applications, as well as for strategies for self-assembly based on nucleic acid hybridization. In recent years charge transfer through PNA molecules was a focus of research due to possible applications in self-assembled molecular circuits and molecular tools. In light of this research it is interesting to invest
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Legrand, Baptiste. "Analyse d'interactions moléculaires par RMN : Étude de la DHFR en présence d'osmolytes et structures de pseudopeptides antimicrobiens en environnement." Phd thesis, Rennes 1, 2009. https://tel.archives-ouvertes.fr/tel-00453405.

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Les osmolytes sont des solutés accumulés dans les cellules de nombreux organismes lors d'une contrainte hyperosmotique pour maintenir le volume cellulaire. Ils peuvent néanmoins induire une inhibition des enzymes dont les bases moléculaires sont au centre de nombreuses études. Nous avons étudié la DHFR, en présence de divers solutés. Les osmolytes ne modifient pas la structure globale de la DHFR et inhibent son activité tout en stabilisant sa structure. Cette inhibition est liée à la diminution du k[indice :]off du produit en présence d'osmolytes. L'étude de la dynamique interne de la DHFR app
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Papadopoulos, Evangelos. "Structural and functional studies of biomolecules with NMR and CD spectroscopy." Doctoral thesis, Stockholm University, Department of Biochemistry and Biophysics, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-7270.

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<p>Experimentally derived biomolecular structures were determined by Nuclear Magnetic Resonance (NMR). The properties of selected peptides and proteins in solution and in membrane mimicking micelles were observed by circular Dichroism (CD), mass spectrometry (MS), and other spectroscopic techniques.</p><p>The mDpl(1-30) peptide (30 residues) of the mouse Doppel protein was found to be positioned as an α-helix in a DHPC micelle. The same peptide can disrupt and cause leakage in small unilamellar vesicles.</p><p>Single D-amino acid isomers of Trp-cage (20 residues), the smallest peptide with a p
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Fuller, Daniel Raymond. "Probing Structure and Stability of Biomolecules with Ion Mobility-mass Spectrometry Techniques." Thesis, Indiana University, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10844168.

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<p> Ion mobility spectrometry &ndash; mass spectrometry (IMS-MS) based techniques have significantly advanced the study of both the structure and stability of biomolecules. Solution phase, biologically relevant peptide/protein conformations have been analyzed utilizing electrospray ionization (ESI) coupled to IMS-MS. The work presented here focuses on the development and application of IMS-MS for the study of the structure and stability of peptides and proteins. Structures originating in solution can be related to the biological activity of the system. Specifically, we examine the influence of
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Hassanali, Ali. "WATER AT MOLECULAR INTERFACES: STRUCTURE AND DYNAMICS NEAR BIOMOLECULES AND AMORPHOUS SILICA." The Ohio State University, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=osu1275314943.

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38

Yang, Yinhua, and 楊銀花. "Application of biomolecular NMR spectroscopy for protein structure determination." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2009. http://hub.hku.hk/bib/B42182013.

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Riplinger, Christoph [Verfasser]. "Insights into Biomolecular Structure from Theoretical Spectroscopy / Christoph Riplinger." Bonn : Universitäts- und Landesbibliothek Bonn, 2011. http://d-nb.info/104497169X/34.

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Prévot, Martine. "Biomolecular simulations: structure, thermodynamics and dynamics of biological systems." Doctoral thesis, Universite Libre de Bruxelles, 2002. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/211440.

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41

Kupser, Peter [Verfasser]. "Infrared spectroscopic characterization of secondary structure elements of gas-phase biomolecules / Peter Kupser." Berlin : Freie Universität Berlin, 2011. http://d-nb.info/1025305574/34.

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Landström, Jens. "Structure, dynamics and interactions of biomolecules : investigations by NMR spectroscopy and computational methods /." Stockholm : Department of Organic Chemistry, Stockholm University, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-30120.

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Diss. (sammanfattning) Stockholm : Stockholms universitet, 2009.<br>At the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 3: Submitted. Paper 4: Submitted. Paper 5: In progress. Paper 6: In progress. Paper 7: Manuscript. Härtill 7 uppsatser.
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Conroy, Daniel William. "Structural Studies of Biomolecules by Dynamic Nuclear Polarization Solid-State NMR Spectroscopy." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1555428362333615.

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Winger, Theodore Medard. "Synthetic phospholipid-peptide conjugates : biomolecular building blocks for receptor activating structures." Thesis, Georgia Institute of Technology, 1994. http://hdl.handle.net/1853/9505.

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Maccallum, Peter Hugh. "Hydrogen bonding and the stability of the polypeptide backbone." Thesis, University of Glasgow, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.360133.

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46

Addison, Christopher James. "Investigating biomolecular structure using fiber-optic UV resonance Raman spectroscopy." Thesis, University of British Columbia, 2011. http://hdl.handle.net/2429/37016.

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The observation of biomolecular structure is critical for the fundamental understanding of biological function. In this work, Fiber-optic UV Resonance Raman Spectroscopy (FO-UVRRS) was employed to study a number of structure-function relationships. A suite of metal-containing dioxygenase enzymes were studied in order to determine the substrate protonation state in the enzyme-substrate complex. Two enzymes with a high degree of sequence identity were studied, where one naturally incorporates a Fe²⁺ metal and the other uses Mn²⁺. Both enzymes react with the same substrate to form an equivale
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47

Rienstra, Chad M. "Solid state nuclear magnetic resonance methodology for biomolecular structure determination." Thesis, Massachusetts Institute of Technology, 1999. http://hdl.handle.net/1721.1/9524.

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Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1999.<br>Includes bibliographical references.<br>Several developments in solid state nuclear magnetic resonance (SSNMR) spectroscopy methods are presented. All studies are performed with magic angle spinning (MAS) and high-power proton decoupling, for optimal sensitivity and resolution. Chemical shift are assigned by multi-dimensional correlation spectroscopy in isotopically enriched molecules ...<br>by Chad Michael Rienstra.<br>Ph.D.
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48

Herrmann, Kristin Ann. "Hydrogen / Deuterium Exchange and Fragmentation of Biomolecules to Probe Gas Phase Structure and Energetics." Diss., Tucson, Arizona : University of Arizona, 2005. http://etd.library.arizona.edu/etd/GetFileServlet?file=file:///data1/pdf/etd/azu%5Fetd%5F1397%5F1%5Fm.pdf&type=application/pdf.

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49

Smith, Zachary Michael. "Computational Investigations of the Structure and Spectroscopy of Small Biomolecules in the Gas Phase." W&M ScholarWorks, 2018. https://scholarworks.wm.edu/etd/1550153898.

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Small biomolecule systems were interrogated using infrared multiple photon dissociation (IRMPD) action spectroscopy and corresponding quantum chemical calculations with a particular focus on peptide fragmentation and protonation site preference. b2+ and b3+ fragment ions with a terminal lysine homolog residue were investigated using IRMPD in the fingerprint region (1000 cm-1 – 2000 cm-1) and a variety of computational methods. We present the first spectroscopic confirmation of b-ion formation with a lactam structure. Infrared spectra for b2+ fragment system indicate the presence of a mixture o
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50

Zhao, Weilong. "Molecular Simulation Investigation on the Structure-Activity Relationships at Inorganic-Biomolecule Interfaces." University of Akron / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=akron1469627574.

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