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1

Moncrieff, D. "Application of the configuration interaction wavefunction on the study of ionisation effects." Thesis, University of Manchester, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376583.

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2

Kjellsson, Lindblom Tor. "Relativistic light-matter interaction." Doctoral thesis, Stockholms universitet, Fysikum, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-147749.

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During the past decades, the development of laser technology has produced pulses with increasingly higher peak intensities. These can now be made such that their strength rivals, and even exceeds, the atomic potential at the typical distance of an electron from the nucleus. To understand the induced dynamics, one can not rely on perturbative methods and must instead try to get as close to the full machinery of quantum mechanics as practically possible. With increasing field strength, many exotic interactions such as magnetic, relativistic and higher order electric effects may start to play a s
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3

Funk, Richard H. W., and Thomas K. Monsees. "Effects of Electromagnetic Fields on Cells: Physiological and Therapeutical Approaches and Molecular Mechanisms of Interaction." Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-136228.

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This review concentrates on findings described in the recent literature on the response of cells and tissues to electromagnetic fields (EMF). Models of the causal interaction between different forms of EMF and ions or biomolecules of the cell will be presented together with our own results in cell surface recognition. Naturally occurring electric fields are not only important for cell-surface interactions but are also pivotal for the normal development of the organism and its physiological functions. A further goal of this review is to bridge the gap between recent cell biological studies (whi
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4

Funk, Richard H. W., and Thomas K. Monsees. "Effects of Electromagnetic Fields on Cells: Physiological and Therapeutical Approaches and Molecular Mechanisms of Interaction." Karger, 2006. https://tud.qucosa.de/id/qucosa%3A27702.

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This review concentrates on findings described in the recent literature on the response of cells and tissues to electromagnetic fields (EMF). Models of the causal interaction between different forms of EMF and ions or biomolecules of the cell will be presented together with our own results in cell surface recognition. Naturally occurring electric fields are not only important for cell-surface interactions but are also pivotal for the normal development of the organism and its physiological functions. A further goal of this review is to bridge the gap between recent cell biological studies (whi
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5

Fassnacht, Ryan. "Molecular Mechanisms Involved Involved in the Interaction Effects of HCV and Ethanol on Liver Cirrhosis." VCU Scholars Compass, 2010. http://scholarscompass.vcu.edu/etd/2246.

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The leading causes of liver disease are Hepatitis C virus infection and chronic alcohol abuse. Alcohol accelerates liver disease in HCV but the mechanisms are poorly understood. The identification of molecular gene expression profiles on human liver tissue was performed using microarrays. Samples were obtained from alcoholic-cirrhotic, HCV-cirrhotic, HCV/alcohol-cirrhotic and control non-cirrhotic liver tissue. Probe set expression summaries were calculated using RMA. Probe set level linear models were fit where probe set expression was modeled by HCV status, alcohol status, and the interactio
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6

Liao, Meng. "Modeling of fluid flows and heat transfer with interface effects, from molecular interaction to porous media." Thesis, Paris Est, 2018. http://www.theses.fr/2018PESC1054/document.

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Les objectifs de la thèse sont d'étudier le transport de fluide et le transfert de chaleur dans les pores micro et nanométriques. Les expériences et les simulations ont révélé des preuves de l'augmentation du flux provoquée par la vitesse de glissement à la paroi solide. D'autre part, la résistance thermique finie à l'interface fluide-solide est responsable de la différence de température des deux phases. Ces deux phénomènes d'interface peuvent avoir un impact considérable sur la perméabilité et la diffusivité thermique des milieux poreux constitués de micro et nanopores. La contribution se co
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7

Cerqueira, Andreia Filipa Lages. "Effects of phosphite in Pinus radiata-Fusarium circinatum interaction." Master's thesis, Universidade de Aveiro, 2016. http://hdl.handle.net/10773/17015.

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Mestrado em Biologia Molecular e Celular<br>O cancro resinoso, provocado pelo fungo Fusarium circinatum, é uma doença que afeta Pinus spp. e Pseudotsuga menziesii em todo o mundo e está sujeita a medidas de quarentena. Caracteriza-se pela formação de grandes cancros resinosos que rodeiam rebentos, ramos e troncos e levam à morte do hospedeiro. Até à data não existem meios para o controlo da doença e, com a crescente necessidade de reduzir o uso de fungicidas, outras abordagens devem ser estudadas. Um método para o controlo de doenças fitopatogénicas passa pela indução da resistência do
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8

Estarellas, Martín Carolina. "Theoretical and Experimental Study of Cooperativity Effects in Noncovalent Interactions." Doctoral thesis, Universitat de les Illes Balears, 2012. http://hdl.handle.net/10803/97288.

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L’any 2002 tres grups de recerca, entre ells el nostre grup, van demostrar teòricament que la interacció entre anions i anells aromàtics electrodeficients, anomenada interacció anió–, era favorable. Des de llavors s’ha dut a terme un intens estudi de la seva naturalesa física fins la total comprensió. Aquesta tesi es basa amb l’estudi de la interacció anió– des de tres punts de vista. Primerament, la investigació es basa en el disseny teòric de motius estructurals per donar lloc a un receptor on la interacció anió– siga molt favorable, per posteriorment avaluar la força de la interacció exp
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9

Berggren, Peter. "Elastic and inelastic scattering effects in conductance measurements at the nanoscale : A theoretical treatise." Doctoral thesis, Uppsala universitet, Institutionen för fysik och astronomi, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-261609.

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Elastic and inelastic interactions are studied in tunnel junctions of a superconducting nanoelectromechanical setup and in response to resent experimental superconducting scanning tunneling microscope findings on a paramagnetic molecule. In addition, the electron density of molecular graphene is modeled by a scattering theory approach in very good agreement with experiment. All studies where conducted through the use of model Hamiltonians and a Green function formalism. The nanoelectromechanical system comprise two fixed superconducting leads in-between which a cantilever suspended superconduc
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10

Chartier, Matthieu. "Développement et applications d’un outil bio-informatique pour la détection de similarités de champs d’interaction moléculaire." Thèse, Université de Sherbrooke, 2016. http://hdl.handle.net/11143/8893.

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Résumé : Les méthodes de détection de similarités de sites de liaison servent entre autres à la prédiction de fonction et à la prédiction de cibles croisées. Ces méthodes peuvent aider à prévenir les effets secondaires, suggérer le repositionnement de médicament existants, identifier des cibles polypharmacologiques et des remplacements bio-isostériques. La plupart des méthodes utilisent des représentations basées sur les atomes, même si les champs d’interaction moléculaire (MIFs) représentent plus directement ce qui cherche à être identifié. Nous avons développé une méthode bio-informatique,
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11

Trasobares, Sánchez Jorge. "High frequency electronics on nanodot molecular junctions : interaction between molecules, ions and waves." Thesis, Lille 1, 2015. http://www.theses.fr/2015LIL10168/document.

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Une combinaison entre l’assemblage de monocouches au sommet de nano-cristaux d’or et la microscopie à sonde locale permet d’explorer l’interaction entre les molécules actives et son milieu, mais aussi démontrer expérimentalement une diode moléculaire peut travailler à haute fréquence. La fabrication des nanocristaux d’or par lithographie électronique rapide nous a permis leur caractérisation par des techniques nécessitant des surfaces millimétrique, mais également par des techniques en champ proche. La détection electrochimique d’un petit nombre de molécules par nanocrystal prévoit d’intéressa
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12

Muchowska, Kamila Barbara. "Molecular balances." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/17880.

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Predicting and quantifying solvent effects on non-covalent interactions is often very challenging, as they are influenced and modulated by multiple factors. In this thesis, a series of molecular torsion balances is used as a tool to tackle the complexities of noncovalent interactions in solution. Chapter 1 presents an up-to-date literature review on solvent effects on non-covalent interactions, with a particular focus on solvent effects on conformational equilibria and molecular torsion balances. Chapter 2 demonstrates the use of molecular torsion balances and a simple explicit solvation compu
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13

Adam, Catherine. "Molecular balances for measuring non-covalent interactions in solution." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/16466.

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Non-covalent interactions in solution are subject to modulation by surrounding solvent molecules. This thesis presents two experimental molecular balances that have been used to quantify solvent effects on non-covalent interactions, including electrostatic and dispersion interactions. The first chapter introduces literature where non-covalent interactions have been studied in a range of solvents, particularly those where the effects of aqueous or fluorous solvents have been investigated. These solvents are of particular interest as they both invoke solvophobic effects on organic molecules, but
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14

Brown, Alexander. "The effects of phase in laser-molecule interactions." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0015/NQ28478.pdf.

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15

David, Laurent. "Modelisation des interactions electrostatiques des biomolecules en solution." Université Joseph Fourier (Grenoble), 1996. http://www.theses.fr/1996GRE10159.

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Les interactions electrostatiques jouent un role crucial dans la modelisation d'une macromolecule biologique, et particulierement dans la comprehension de l'effet du solvant sur le systeme considere. La resolution de l'equation lineaire de poisson-boltzmann (lpb) permet d'obtenir une representation de ces interactions. Plusieurs methodes resolvant cette equation (ou une approximation de cette equation) sont developpees dans le but d'etre utilisees en dynamique moleculaire. La premiere etude utilise la methode des differences finies pour discretiser le systeme et differents algorithmes mathemat
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16

Abouzar, Maryam Hadji. "Detection of molecular interactions using field-effect-based capacitive devices." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2011. http://dx.doi.org/10.18452/16383.

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Die markierungsfreie Detektion von molekularen Wechselwirkungen mittels Feldeffekt-basierter Sensoren ist eine vielversprechende Strategie zur Entwicklung einer neuen Generati-on von Biochips mit direkter elektrischer Auslesung und somit geeignet für schnelle, einfache und kostengünstige Analysen. In dieser Arbeit wurde als Transducer eine kapazitive Elektrolyt-Isolator-Silizium- (EIS) Struktur zur markierungsfreien elektrischen Detektion geladener Makromoleküle anhand ihrer intrinsischen Ladung verwendet. Als Modellsystem für die Untersuchung der im EIS-Sensor durch die Ausbildung „planarer
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17

Bodkin, Michael James. "The effect of environment on peptide stability." Thesis, Birkbeck (University of London), 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244049.

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18

Stewart, Ashley. "Molecular interactions among soybean aphids and aphid-resistant soybean." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1574777162373585.

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19

Love, Carolyn Jane. "Investigation of specific interaction effects in polymer blends and telechelic molecules." Thesis, Heriot-Watt University, 1997. http://hdl.handle.net/10399/645.

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20

LaMarr, William Albino 1969. "The effect of supercoiling on small molecule-DNA interactions." Thesis, Massachusetts Institute of Technology, 1998. http://hdl.handle.net/1721.1/50414.

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21

Premadasa, Uvinduni I. "Insights into the Role of Structural Modification on the Surface Molecular Interactions Probed Using Sum Frequency Generation Spectroscopy." Ohio University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1578394424376667.

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22

Majournat, Béatrice. "Interférences et prédissociation par interaction spin-orbite dans HgH." Grenoble 1, 1988. http://www.theses.fr/1988GRE10107.

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Pour les mesures d'intensites dans hgh, l'etalonnage du systeme optique de detection est effectue. Etude des interferences entre transitions de symetrie differente, et de la predissociation avec effet tunnel sur la gauche
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23

Yudiarsah, Efta. "Change transport through molecules structural and dynamical effects /." Ohio : Ohio University, 2008. http://www.ohiolink.edu/etd/view.cgi?ohiou1219343872.

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24

Asimakopoulos, George. "Effects of aprotinin on adhesion molecule expression and leucocyte-endolethial cell interaction." Thesis, Imperial College London, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.412900.

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25

Pan, Xinhua. "Optical Control and Spectroscopic Studies of Collisional Population Transfer in Molecular Electronic States." Diss., Temple University Libraries, 2017. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/440712.

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Physics<br>Ph.D.<br>The quantum interference effects, such as the Autler-Townes (AT) effect and electromagnetically induced transparency (EIT) applied to molecular systems are the focus of this Dissertation in the context of high resolution molecular spectroscopy. We demonstrate that the AT effect can be used to manipulate the spin character of a spin-orbit coupled pair of molecular energy levels serving as a \textit{gateway} between the singlet and triplet electronic states. We demonstrate that the singlet-triplet mixing characters of the \textit{gateway} levels can be controlled by manipulat
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Pavawongsak, Siriporn. "Effects of molecular architecture and specific (ion-dipole) interactions on the miscibility of polymer blends." Thesis, Imperial College London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.361212.

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Pouran, Hamid M. "Studying Molecular and Nanoscale Interactions at Metal Oxide Surfaces and Their Effects on Bacterial Adhesion." Thesis, University of Sheffield, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.521855.

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Collings, Jonathan C. "The effect of fluorine substituents on the physical and structural properties of conjugated molecular materials." Thesis, Durham University, 2002. http://etheses.dur.ac.uk/4175/.

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A series of selectively fluorinated tolans of the general formulae C(_6)F(_5)-C=C-C(_6)H(_4)X and C(_6)H(_5)-C=C-C(_6)F(_4)X (where X = I, Br, CI) have been synthesized via homogeneous palladium-catalysed Sonogashira cross-coupling and organolithium chemistry. Several of their crystal structures have been solved from X-ray diffraction data, and their molecular packing is described in terms of arene-perfluoroarene and halogen-halogen interactions. Diffraction-quality crystals of a number of binary arene-perfluoroarene complexes of hexafluorobenzene and octafluoronaphthalene with several mismatc
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Sjöqvist, Jonas. "Light interactions in flexible conjugated dyes." Doctoral thesis, Linköpings universitet, Beräkningsfysik, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-109011.

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In this thesis methodological developments have been made for the description of flexible conjugated dyes in room temperature spectrum calculations. The methods in question target increased accuracy and efficiency by combining classical molecular dynamics (MD) simulations with time-dependent response theory spectrum calculations. For absorption and fluorescence spectroscopies a form of conformational averaging is used, where the final spectrum is obtained as an average of spectra calculated for geometries extracted from ground and excited state MD simulations. For infrared and Raman spectrosco
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Morin, Bénédicte. "Systèmes modèles pour l'étude de la formation de pontages ADN-protéines induits par photosensibilisation." Université Joseph Fourier (Grenoble), 1995. http://www.theses.fr/1995GRE10099.

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Le materiel genetique peut-etre l'objet de nombreuses agressions chimiques, en particulier de type oxydatif lors de l'exposition a la lumiere solaire. Les modifications ainsi induites dans le materiel genetique appartiennent a quatre categories: modifications des bases, cassures simples et doubles de la chaine d'adn, sites abasiques et pontages avec des proteines. Nous nous sommes interesses aux mecanismes de formation et a la structure des pontages adn-proteines induits par la lumiere solaire. Differents systemes modeles ont ete synthetises pour simuler l'action de la chaine laterale, non eng
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Yudiarsah, Efta. "Charge Transport through Molecules: Structural and Dynamical Effects." Ohio University / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1219343872.

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Head, Ashley Lauren Rose. "Photoelectron Spectroscopy and Computational Studies of Molecules with Delocalized Electronic Structure and Extended Electronic Structure Interactions." Diss., The University of Arizona, 2011. http://hdl.handle.net/10150/203484.

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The localized model of a chemical bond has had a long and prominent role in chemistry, but situations of extended charge delocalization and dipole effects remain topics in need of greater understanding. Both orbital delocalization in isolated molecules and induced molecular dipoles in condensed phases serve to move electron density and influence the chemical and physical properties of a system. This dissertation studies these aspects of electronic structure for selected organic, inorganic, and organometallic systems by means of electronic structure calculations and photoelectron spectroscopy,
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Syamala, Vishnu Vijayakumar. "Molecular organization in solid-state using sigma-hole interactions : Exploring the effect of crystalline environment." Electronic Thesis or Diss., Université de Lorraine, 2022. https://docnum.univ-lorraine.fr/ulprive/DDOC_T_2022_0214_VIJAYAKUMAR_SYAMALA.pdf.

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Comprendre la formation et la stabilisation des interactions non-covalentes est de grande importance dans le domaine de l'ingénierie cristalline. Dans cette perspective, les travaux réalisés se focalisent sur l’étude d'une sous-classe d'interactions non-covalentes connues sous le nom d'interactions à trou-sigma. Ces interactions sont définies comme celles impliquant des sites électrophiles appelés trou-sigma, qui sont associés à un atome lié de manière covalente et appartenant soit au bloc p (groupes 13-18) soit au bloc d (groupes 8, 11 et 12) du tableau périodique, et des sites nucléophiles p
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Calabrese, Camilla <1987&gt. "Contribution of Non-Covalent Interactions and Electronic Effects on the Conformational Landscape and Tautomeric Equilibria of Molecules and Molecular Complexes: Structural and Dynamical Data from Rotational Spectroscopy." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2015. http://amsdottorato.unibo.it/6984/1/calabrese_camilla_tesi.pdf.

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This thesis concerns the study of complex conformational surfaces and tautomeric equilibria of molecules and molecular complexes by quantum chemical methods and rotational spectroscopy techniques. In particular, the focus of this research is on the effects of substitution and noncovalent interactions in determining the energies and geometries of different conformers, tautomers or molecular complexes. The Free-Jet Absorption Millimeter Wave spectroscopy and the Pulsed-Jet Fourier Transform Microwave spectroscopy have been applied to perform these studies and the obtained results showcase the su
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Calabrese, Camilla <1987&gt. "Contribution of Non-Covalent Interactions and Electronic Effects on the Conformational Landscape and Tautomeric Equilibria of Molecules and Molecular Complexes: Structural and Dynamical Data from Rotational Spectroscopy." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2015. http://amsdottorato.unibo.it/6984/.

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This thesis concerns the study of complex conformational surfaces and tautomeric equilibria of molecules and molecular complexes by quantum chemical methods and rotational spectroscopy techniques. In particular, the focus of this research is on the effects of substitution and noncovalent interactions in determining the energies and geometries of different conformers, tautomers or molecular complexes. The Free-Jet Absorption Millimeter Wave spectroscopy and the Pulsed-Jet Fourier Transform Microwave spectroscopy have been applied to perform these studies and the obtained results showcase the su
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Odunuga, Odutayo Odutola. "Molecular characterization of the tetratricopeptide repeat-mediated interactions of murine stress-inducible protein 1 with major heat shock proteins." Thesis, Rhodes University, 2003. http://hdl.handle.net/10962/d1007724.

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Murine stress-inducible protein 1 (mSTI1) is a co-chaperone that is homologous with the human heat shock protein 70 (Hsp70)/heat shock protein 90 (Hsp90)-organizing protein (Hop). The two proteins are homologues of the highly conserved stress-inducible protein 1 (STI1) family of co-chaperones. The STI1 proteins interact directly and simultaneously at some stage, with Hsp70 and Hsp90 in the formation of the hetero-multi-chaperone complexes that facilitate the folding of signal transducing kinases and functional maturation of steroid hormone receptors. The interactions of mSTI1 with both Hsp70 a
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Cavallo, Valentina. "Tailoring intermolecular interactions in methacrylate-based copolymers and nanocomposites : Effect on molecular dynamics and thermal properties." Electronic Thesis or Diss., Lyon, INSA, 2023. http://www.theses.fr/2023ISAL0103.

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Une corrélation entre l’intensité et la nature des interactions intermoléculaires et les propriétés physiques, comme la conductivité thermique, a été rapportée pour des polymères amorphes. En particulier, une augmentation de la conductivité thermique a été associée à l’ajout d’interactions plus fortes par rapport aux liaisons de Van der Walls faibles, c’est-à-dire des liaisons hydrogène et ioniques. Dans ce travail, une tentative d'adapter la conductivité thermique dans les polymères amorphes a été réalisée par ingénierie des interactions intermoléculaires. Le poly(méthylméthacrylate) PMMA a é
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Sawamura, Seishirou. "Elucidation of signal regulation by interacting molecules and proteins of Ca2+ influx channels." 京都大学 (Kyoto University), 2016. http://hdl.handle.net/2433/215579.

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Patrone, Julia Beth. "The effects of neisserial surface molecules and initial bacterial dose on interactions with human monocytes." College Park, Md. : University of Maryland, 2006. http://hdl.handle.net/1903/3862.

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Thesis (Ph. D.) -- University of Maryland, College Park, 2006.<br>Thesis research directed by: Cell Biology & Molecular Genetics. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.
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Picton, Luc. "Propriétés en solution aqueuse d'éthers cellulosiques associatifs. Influence des cosolutés et de la température : conséquences rhéologiques." Rouen, 1996. http://www.theses.fr/1996ROUES047.

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L'hydroxyéthylcellulose hydrophobiquement modifiée (HMHEC) est un polymère associatif industriel obtenu par greffage d'une très faible quantité de chaînes hexadécyle sur le polymère précurseur (HEC). En solution aqueuse, l'association des groupes hydrophobes confère au polymère modifié des propriétés qui diffèrent profondément de celles des précurseurs. En régime dilué, le caractère associatif conduit à la formation d'agrégats intermoléculaires et/ou d'interactions intramoléculaires. Au-delà d'une concentration critique, qui délimite le début du régime semi-dilué, les associations deviennent e
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Samsonov, Sergey. "Protein-protein interactions: impact of solvent and effects of fluorination." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2009. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-25194.

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Proteins have an indispensable role in the cell. They carry out a wide variety of structural, catalytic and signaling functions in all known biological systems. To perform their biological functions, proteins establish interactions with other bioorganic molecules including other proteins. Therefore, protein-protein interactions is one of the central topics in molecular biology. My thesis is devoted to three different topics in the field of protein-protein interactions. The first one focuses on solvent contribution to protein interfaces as it is an important component of protein complexes. The
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Myers, Shere Lynne. "Cellular Effects of Replicating a Polypurine-Polypyrimidine Sequence and the Interactions of DUE-B with Replication Proteins." Wright State University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=wright1292507800.

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43

Wu, Jing Qin. "Microarray studies of HIV-host interactions in relation to disease status and therapy effects." Thesis, The University of Sydney, 2008. https://hdl.handle.net/2123/28129.

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HIV-host interactions can be interrogated at the level of both protein (proteome) and RNA (transcriptome). At protein level, previous studies have shown that expression levels of cell surface antigens such as CD38 and HLA-DR are related to HIV disease status as well as the efficacy of highly active antiretroviral therapy (HAART). To date, the immunophenotyping of cell surface antigens relies on flow cytometry, allowing estimation of 3-6 markers at a time. The recently described DotScan antibody microarray technology enables the simultaneous analysis of a large number of cell surface ant
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Pilskog, Ingjald. "A theoretical study of the response in atomic and molecular systems to time-dependent external fields." Paris 6, 2011. http://www.theses.fr/2011PA066674.

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Cette thèse concerne l’étude théorique de la réponse des systèmes atomiques et moléculaires soumis à des champs externes dépendants du temps. Il aborde principalement deux sujets: l’étude (i) d’atomes de lithium dans des états de Rydberg soumis à des champs électriques et magnétiques dépendants du temps et (ii) des processus de capture de deux électrons dans les collisions ion-molécule. Ces deux sujets sont présentés dans deux chapitres distincts, précédés par un chapitre d’introduction commun qui définit les travaux de recherche présentés dans un contexte plus large, et suivis par quelques re
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Moses, Vuyani. "The investigation of type-specific features of the copper coordinating AA9 proteins and their effect on the interaction with crystalline cellulose using molecular dynamics studies." Thesis, Rhodes University, 2018. http://hdl.handle.net/10962/58327.

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AA9 proteins are metallo-enzymes which are crucial for the early stages of cellulose degradation. AA9 proteins have been suggested to cleave glycosidic bonds linking cellulose through the use of their Cu2+ coordinating active site. AA9 proteins possess different regioselectivities depending on the resulting cleavage they form and as result, are grouped accordingly. Type 1 AA9 proteins cleave the C1 carbon of cellulose while Type 2 AA9 proteins cleave the C4 carbon and Type 3 AA9 proteins cleave either C1 or C4 carbons. The steric congestion of the AA9 active site has been proposed to be a cont
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46

Cerchez, Vladimir. "Nano structures formed by molecular chlorine interaction with noble metal surfaces : scanning Tunneling Microscopy/Spectroscopy study." Thesis, Nancy 1, 2011. http://www.theses.fr/2011NAN10047/document.

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Ce travail de thèse porte sur une étude systématique des mécanismes d'adsorption et d'interaction du chlore avec les surfaces des métaux Au(111), Ag(111) et Cu(111). Pour cette étude nous avons mis en oeuvre une méthode d'élaboration par réaction gaz/surface en conditions ultra-vide. Les systèmes élaborés ont été étudiés d'un point de vue structural par diffraction d'électrons lents et par microscopie à effet tunnel basse température (5K). Les propriétés électroniques on fait l'objet de mesures de spectroscopie locale par effet tunnel. La première partie de ce travail est dédiée aux modificati
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47

Saavedra, García Paula. "FABP4: interactions with endothelial cell plasma membrane and effects on vascular smooth muscle cells." Doctoral thesis, Universitat Rovira i Virgili, 2016. http://hdl.handle.net/10803/348560.

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Fatty acid-binding protein 4 (FABP4) és una adipoquina secretada pel teixit adipós implicada en la regulació del metabolisme energètic i la inflamació. S'han detectat nivells elevats de FABP4 circulant en persones amb factors de risc cardiovascular i aterosclerosi, encara que no hi ha moltes dades sobre FABP4 i l'aterosclerosi en humans. Alguns estudis han demostrat que FABP4 té un efecte directe sobre els teixits perifèrics, concretament promovent la disfunció endotelial. La disfunció endotelial juga un paper clau en el desenvolupament de lesions ateroscleròtiques, així com la migració i prol
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48

Besson, Rémy. "Simulation à l'échelle atomique de quelques propriétés volumiques et interfaciales d'alliages ordonnés fer-aluminium." Grenoble INPG, 1997. http://www.theses.fr/1997INPG4201.

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Apres avoir elabore un potentiel semi-empirique adapte aux alliages fe - al de structures b2 et d0#3, nous avons etudie les defauts ponctuels et les joints de grains dans ces composes. A basse temperature, l'ecart a la stchiometrie b2 est accommode par des defauts d'antisite ; a plus haute temperature, des lacunes de fer apparaissent et les defauts tendent a former des complexes dont la structure est tres sensible a l'ecart a la stchiometrie. Nos calculs, reposant sur les energies de formation a temperature nulle, indiquent les types des defauts predominants, mais conduisent a des predictions
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49

Alberto, Diana. "Molecular mechanisms of plant-xenobiotic interactions : involvement of stress, development and hormone signaling regulations." Thesis, Rennes 1, 2017. http://www.theses.fr/2017REN1B055.

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Les herbicides sont des polluants suscitant de grandes inquiétudes en raison de leur ubiquité environnementale résultant de leur usage intensif dans l’agriculture moderne et de leur persistance dans les sols et les eaux. Les herbicides peuvent être dégradés par des microorganismes, des plantes ou d’autres processus naturels, produisant alors une vaste gamme de métabolites dont l’impact sur les écosystèmes reste méconnu. Dans un contexte d’évaluation des risques environnementaux, l’étude de la réponse des plantes à des mélanges complexes de xénobiotiques est importante pour estimer les effets d
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Mingotaud, Christophe. "Interactions ions-films de langmuir : effets de l'organisation moleculaire et de la nature du film." Paris 11, 1992. http://www.theses.fr/1992PA112034.

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L'etude de l'adsorption d'ions le long d'un film de langmuir a montre l'importance de la nature de l'ion et du lipide composant le film sur ce processus d'adsorption. De plus, la polarite d'une monocouche et la caracterisation de l'organisation du film ont fait l'objet de differents travaux. La reactivite de la chlorophylle a en monocouche (avec la mise en evidence d'une reaction particuliere aux films de langmuir) ainsi que le dosage en film de sondes sensibles au ph ont permis de montrer l'existence de fortes variations de ph le long du film epandu sur eau pure, et ceci y compris pour une mo
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