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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 51 for “"structural transitions"”.
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Structural Transitions in Titanium-Diselenide
The superlattice formation in TiSe(,2) appears to be due to an interaction between electrons and holes via a soft zone-boundry phonon. When the holes are filled by electrons from excess Ti, or removed by uncrossing the bands with zirconium doping, the superlattice transition is suppressed. When the …
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Structural transitions in titanium diselenide
Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-20T18:42:35Z No. of bitstreams: 1 1980_gaby.pdf: 1524259 bytes, checksum: 5621cae638a1d764e0136238afc9b5ed (MD5)
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Determining Structural Transitions That Occur Upon Gating a Bacterial Mechanosensitive Channel
… predictions as well as give new insight into the structural transitions that occur upon gating. The second approach to define opening utilized functional differences between homologues that have relatively similar sequences. For instance, the E. coli and M. tuberculosis MscL proteins are similar …
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Molecular Dynamics Simulations of Structural Transitions in Crystalline and Amorphous Inorganic Compounds
… and (iv) used the knowledge gained concerning structural transitions in crystalline silica to explain the nature of polyamorphism in the non-crystalline counterparts of this material. I observed both reversible and irreversible polyamorphic transitions in silica glass, depending on the …
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Phase Behavior and Structural Transitions in The Mixtures of Cationic Surfactants and Hydrophobic Counterions
Anionic hydrophobic counterions with certain geometry adsorb onto the surface of cationic surfactant micelles and they minimize the repulsion between the headgroups, so the charge density on the surface is reduced. As a result of this, the micelle spontaneously changes its morphology due to a new …
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Application of All-Atom and Coarse-Grained Molecular Dynamics Simulations to Long Timescale Structural Transitions of Proteins
Experimental methods in biology are generally able to provide low-resolution data on specific functions of biomolecules, or high-resolution data on structures and other properties in states of questionable physiological relevance, but very rarely both at the same time. Molecular dynamics (MD) …
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Structural Transitions in Self-Assembled Lipid Systems Driven by Induced Curvature: From Cell -Penetrating Peptides to Programmable Vesicles
We also examined the interactions of other arginine rich cell-penetrating peptides, including Antp and oligoarginine, with model cell membranes, and find that the transduction activity correlates with induction of negative Gaussian curvature. The negative Gaussian membrane curvature is broadly …
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Structural transitions in self-assembled lipid systems driven by induced curvature: from cell-penetrating peptides to programmable vesicles
Arginine rich cell-penetrating peptides are short cationic peptides capable of traversing the plasma membranes of eukaryotic cells. While successful intracellular delivery of many biologically active macromolecules has been accomplished using these peptides, their mechanisms of cell entry are still …
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Biophysical mechanisms of intrinsic protein disorder: lessons from a protein backbone model
… short IDRs as well as the mechanisms underlying structural transitions. To investigate these phenomena, we use a protein backbone model (i.e. oligoglycine) that has been experimentally and computationally shown to exhibit IDR characteristics. Our results suggest that the chain length dependent …
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Myosin structural dynamics: mechanistic insights and therapeutic technology developments
… biophysics is to understand how protein structural isomerizations correspond to cellular and organismal physiology. The heart generates force to perfuse the body with oxygenated blood through contractile units in myocytes called sarcomeres. The primary force-generating protein in this …
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Charge Density Waves and Superconductivity in Rare Earth Compounds from First Principles
… coupling also leads to charge density waves and structural distortions which compete with superconductivity. To better understand this competition, I use first-principles simulations to study rare-earth tritellurides (RTe3) and doped rare-earth trihydrides (RH3), which host superconducting states …
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Nanomechanics and ultrastructural studies of cortical bone : fundamental insights regarding structure-function, mineral-organic force mechanics interactions, and heterogeneity
… on both nanomechanical properties and ultrastructural deformation mechanisms of bone, partial and complete demineralization was carried out to produce samples ranging from -0-58 wt.% mineral content. Nanoindentation experiments perpendicular to the osteonal axis found a 4-6x increase in …
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Studies in Magnetism and Superconductivity under Extreme Pressure
… the magnetic state of a material, and induce structural transitions. In Eu metal the strong local-moment magnetism in divalent Eu: 4f<super>7</super>) suppresses superconductivity. Under sufficiently high pressure, Eu is expected to become trivalent and nonmagnetic: 4f<super>6</super>). …
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Magnetic ordering and spin wave dynamics in transition metal arsenides
… measurements, we identify magnetically coupled structural transitions in tetragonal CuMnAs which result from exchange frustration between the Mn moments and finite Cu moments. Finally, using single crystal inelastic neutron scattering measurements, we determine exchange interactions in Fe2As …
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Structure-Based Mechano-Chemical Modeling of Microtubule Nucleation
… subunits during closure are analogous to the structural transitions of tubulins within the MT. These changes maintain a sheetlike structure during the nascent MT formation, which resists catastrophes and thereby promotes successful nucleation. This unified framework resolves many longstanding …
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Magnetism, Structure and their Interactions
In my work, magnetic and structural transitions of three categories of compounds are investigated by density functional calculations under local spin density approximation (LSDA). The first compound is Rh2MnGe with full Heusler structure at ambient condition. However, the structure is unstable at …
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Centromere Identity and the Nature of the Cenp-A-Containing Nucleosome
… DNA termini flexibility becomes enhanced. These structural transitions imparted by CENP-C have important functional consequences, as endogenous centromeres lacking CENP-C lose CENP-A and have increased mitotic defects. In the second part of the thesis, I discuss the role that DNA sequence plays …
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Molecular Mechanisms of DNA Protection by Tardigrade Damage Suppressor Protein (Dsup): Structural Adaptation and Functional Interactions
… Dsup’s DNA-protective function, focusing on its structural adaptability and interaction with nucleic acids. </p> <p>Using a combination of bioinformatics, biophysical techniques (circular dichroism, NMR, surface plasmon resonance), mass spectrometry, and computational modeling, we demonstrate …
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Responsive polymers for dynamic modulation of bio-macromolecular transport properties
… of a polymer solution because it enables structural transitions to be induced under isothermal conditions without the addition of other chemical species to the solution, and is externally reversible and hence amenable to device design and automation. Amphiphilic copolymers with azobenzene …
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Structural and Magnetic Phases in Pressure-Tuned Quantum Materials
… It shows that Ni and MnPS3 undergo similar structural transitions under pressure to those previous observed in FePS3, the highest pressure of which is linked to an insulator-to-metal transition in that system. Through record high-pressure neutron diffraction measurements, the evolution of …
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