Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 24 for “"conformational transition"”.
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Using molecular dynamics to probe protein conformational transition mechanisms at the membrane surface
… been difficult to characterize the structural transitions needed to activate peripheral and integral membrane proteins. The work presented herein leverages molecular dynamics (MD) simulations as a method to explore and characterize the dynamics of both peripheral and integral membrane proteins …
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Phenylene Ethynylene Foldamers: Cooperative Conformational Transition, Twist Sense Bias, Molecular Recognition Properties, and Solid -State Organization
… both in solution and the solid-state. The conformational transition from a random coil to helical conformation was quantitatively characterized by fluorescence spectroscopy. From these measurements, it was determined that the stability of the helical conformation is linearly dependent on …
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Morphology and Conformation of Polythiophene Derivatives in Anisotropic Core-Shell Nanocomposites and Solution
… and rapid charge transfer. Additionally, the conformational transitions of side-chain functionalized polythiophenes are investigated in dilute solution through the use of ultraviolet-visible absorption spectrophotometry. A coil-to-rod conformational transition is identified, and is found to be …
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Surfactant Formulations for Water-Based Processing of a Polythiophene Derivative
… processes are two commonly cited advantages. Transitions in the backbone conformation of polythiophenes (PT) in organic solvents have been widely observed to influence thin-film morphology. However, conformational transitions of water-soluble PT derivatives, with respect to their …
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Conformational and Orientational Dynamics of Semi-Rigid Macromolecules in Shear Flow
"The third study involves the conformational and phase stability of aqueous Poly-L-Lysine solutions in shear flow. Poly-L-lysine exists as an $\alpha$-helix at high pH and a random coil at neutral pH. When the $\alpha$-helix is heated above 27$\sp\circ$C, the macromolecule undergoes a …
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Co-polymer microgels: contemporary physico-chemical, structural and analytical investigations
… is a thermosensitive polymer which undergoes a conformational transition at approximately 32°C in aqueous solution. NIPAM is a monomer commonly employed in microgel synthesis and the resultant particles are thermosensitive, a property which can be altered by modification of the system by …
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Characterization of the unfolding, refolding, and aggregation pathways of two protein implicated in cataractogenesis : human gamma D and human gamma S crystallin
… below 1.0 M GdnHCl, beyond the major conformational transition region. H[gamma]S-Crys, however, exhibited a two-state reversible unfolding and refolding with no evidence of aggregation. Atomic force microscopy of H[gamma]D-Crys samples under aggregating conditions revealed ordered …
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The development of novel smart wound dressings based on colloidal microgels and cotton fabric
… is a thermo sensitive polymer which undergoes a conformational transition close to the human skin temperature. Poly(NIPAM) was co-polymerized with hydrophobic butyl acrylate (BA) to provide a more favourable environment for drug molecules to partition into within the particle. A second …
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Synthetic analogues of protein-lipid complexes
… anhydride) (PSMA) is known to undergo conformational transition in response to environmental stimuli. The association of PSMA with lipid 2-dilauryl-sn-glycero-3-phosphocholine (DLPC) produces polymer-lipid complex analogues to lipoprotein assemblies found in lung surfactant. These …
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Computational study of graphene nanopore sensor for DNA sensing
… of such transverse electronic currents to detect conformational transition, arising due to forced extension, of the dsDNA molecule from helical to zipper form, and also detect ssDNA translocation at single base pair resolution.
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Nanoscale investigation of silk proteins using near-field optics
… my research focuses on the understanding of the conformational transitions of silk fibroin and recombinant spider silk, and the interaction between the protein and energy or other biomolecules at nanoscale using near-field optics. In particular, the complete conformational transition of the silk …
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Structural Basis of Bacterial Transmembrane Signaling
… structural model, GacS undergoes a significant conformational transition upon RetS binding. In this study, because the natural ligand is unknown, we designed and constructed the CitAGacS chimeric protein. Having an active chimeric CitAGacS allowed us to investigate GacS cross-membrane signaling. …
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Defining the Role of Secondary DNA Structures and Transcription Factors on the Transcriptional Control of the HIF-1alpha and VEGF Promoters
… structurally dynamic where they can undergo a conformational transition between B-DNA, single stranded DNA and atypical secondary DNA structures such as G-quadruplexes and i-motifs. We hypothesize that the i-motif and G-quadruplex structures can form within the pPu/pPy tracts of the HIF-1α and …
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Physical Mechanisms of Ca-ATPase Regulation in the Heart
… the amplitude of the Ca²⁺-dependent E2 to E1•Ca2 conformational change, both in the absence and presence of PLN. Treatment with HNO had no affect on the [Ca²⁺]-dependence of Ca-ATPase activity in the absence of PLN; however in the presence of PLN, the [Ca²⁺]-dependent activity was shifted to lower …
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Investigation into the structure and function of Hsp47
… in the pH of the environment triggers a conformational change in the serpin, which is vital for the function of Hsp47. It is this structural transition upon a change in pH that was exploited in the investigation into the regions of importance of for Hsp47-collagen binding. Most of the …
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Computational modeling and simulation of ligand-gated ion channels
… channel gate almost 50 Å apart, an allosteric conformational transition in these proteins has been proposed as the underlying mechanism of signal transduction. Members of the pLGIC superfamily, have intrigued researchers from multiple scientific disciplines for more than a century. The muscle …
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Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution
… process of Rho through a 0.1 millisecond-long conformational transition. Our results not only reveal in new detail the mechanism employed by ring-shaped ATPase motors, for example the use of loosely bound and tightly bound hydrolysis reactant and product states to coordinate motor action, but …
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Model membrane interactions with ions and peptides at the air/water interface
… The peptide aggregation involves the conformational transition from a random coil or alpha-helix to beta-sheets. Recently it was demonstrated that the membrane can play a crucial role for the peptide aggregation and even more the peptide can cause the change in the cell membranes that …
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Structure and Property of Polymers and Biopolymers from Molecular Dynamic Simulations
… field parameters for PVCL. The coil-to-globule conformational transition of PVCL has been successfully observed in MD simulation for the first time. The water dynamics analysis provides significant insights into the interaction between PVCL and water molecules. The novel statistical analysis of …
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Atomistic insights into the structure, dynamics, and regulation of integral membrane proteins
… energy calculations—were employed to investigate conformational dynamics, lipid modulation, and domain coupling mechanisms in membrane protein systems. In the first study, we present a complete structural model of the SARS-CoV-2 spike protein, which forms the basis for the high pathogenicity and …
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