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 28 for “"Two Dimensional Infrared"”.
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Coherent two-dimensional infrared spectroscopy : a study of coupled vibrations
… introduction to experimental techniques used in two-dimensional (2D) infrared (IR) spectroscopy, outlines how third-order nonlinear response of a multi-level vibrational system is calculated, and provides a detailed methodology of line shape analysis in 2D spectroscopy. Specific emphasis is given …
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Multi-mode two-dimensional infrared spectroscopy of peptides and proteins
… stability of proteins through multi-mode two-dimensional infrared (2D IR) spectroscopy is developed. The experimental framework for generation of broadband infrared lasers and robust new approaches to 2D IR spectroscopy are demonstrated. Long-term phase stability is achieved through the …
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Probing Solvation Shell Dynamics of Organometallic Complexes via Two-Dimensional Infrared Spectroscopy
… examines the application of Fourier transform infrared spectroscopy (FTIR) and two dimensional infrared spectroscopy (2D-IR) to organometallic complexes in various solvents. FTIR spectroscopy shows the fundamental vibrational modes of a complex, yielding a spectrum that acts as a molecular …
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The Effects Of Noncovalent Interactions Studied By Ultrafast Two-Dimensional Infrared Spectroscopy
… the impact of noncovalent interactions on two different types of reactive systems: fluxional metal carbonyl complexes and biological cofactors. Through varying the local environment, by changing solvents or encapsulation cages, I focus on characterizing the effects of noncovalent …
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Computational and Theoretical Modeling of Two Dimensional Infrared Spectra of Peptides and Proteins
Two-dimensional infrared (2D-IR) spectroscopy evolved out of the theoretical underpinnings of nonlinear methods to provide a means of investigating detailed molecular structure on ultrafast timescales. This opens up new possibilities for the study of protein folding and molecule-solvent …
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The molecular dynamics of hydrogen-bonding explored with broadband two dimensional infrared spectroscopy
… systems is lacking. Over the last two decades, ultrafast multidimensional infrared spectroscopy has emerged as powerful technique for studying molecular dynamics in the condensed phase. By taking advantage of the complex relationship between a molecular oscillator's frequency and …
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A tale of coupled vibrations in solution told by coherent two-dimensional infrared spectroscopy
Coherent two-dimensional infrared (2D IR) spectroscopy is used as a tool for investigating the molecular structure and dynamics of coupled vibrations in solution on a picosecond timescale. The strongly coupled asymmetric and symmetric carbonyl stretches of Rh(CO)₂C₅H₇0₂ (RDC) dissolved in hexane …
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Two-dimensional infrared spectroscopy of nucleic acids : application to tautomerism and DNA aptamer unfolding dynamics
… the work in this thesis was to develop and apply two-dimensional infrared spectroscopy (2D IR) as a new experimental tool to investigate nucleic acid dynamics. Infrared spectroscopy is sensitive to structural changes of nucleic acids and 2D IR offers sub-picosecond time resolution. 2D IR …
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Insight into the Local Solvent Environment of Biologically Relevant Iron-nitroysl Systems through Two-Dimensional Infrared Spectroscopy
… of nitric oxide binding heme proteins. Using two-dimensional infrared spectroscopy (2D IR) to obtain dephasing dynamics of the nitrosyl stretch (NO) in a series of solvents we are able to better understand the local environment of the more complicated metalloproteins. Rigorous line shape …
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Hydrogen bonding and solvation dynamics of n-methylacetamide in denatured water (D₂O) or denatured chloroform (CDCl₃) from nonlinear spectroscopy
… solvents (D₂O or CDCl₃) was studied by using two-dimensional infrared spectroscopy to probe the frequency fluctuations of the amide I mode of the solvated NMA. An iterative fitting approach was used to extract a correlation function from the experimental data. The correlation function for …
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Developing Novel Non-Natural Amino Acids as Spectroscopic Reporters of Structure for Peptide Systems
… fold in solution using vibrational probes, two types of infrared spectroscopy (Fourier Transform Infrared and two-dimensional infrared), and molecular dynamics simulations. With these three techniques, the angle, distance, and coupling constant between vibrational probes can be determined. …
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Temperature, pressure, and infrared image survey of an axisymmetric heated exhaust plume
… of this research is to numerically predict an infrared image of a jet engine exhaust plume, given field variables such as temperature, pressure, and exhaust plume constituents as a function of spatial position within the plume, and to compare this predicted image directly with measured data. …
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Thermal unfolding dynamics of proteins probed by nonlinear infrared spectroscopy
… of proteins. The spectroscopic tool is nonlinear infrared (IR) spectroscopy of the protein amide I band. Among various nonlinear IR techniques, two-dimensional infrared (2D IR) spectroscopy, which is an IR analogue of 2D NMR, is the most informative. A 2D IR spectrum is obtained from a double …
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Multidimensional Spectra from Classical trajectories
Multidimensional spectroscopy plays an important role in determining the dynamical and structural properties of chemical and biological systems. Exact quantum dynamical calculations for large complex systems are difficult. That opens the window for approximations to quantum dynamics to incorporate …
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Hydrogen bond rearrangements and the motion of charge defects in water viewed using multidimensional ultrafast infrared spectroscopy
… nearest neighbors, resulting in a tetrahedral network of molecules. However, this network is highly dynamic, exhibiting fluctuations and rearrangements that take place on femtosecond to picosecond time scales. The transport of excess protons and proton holes in water makes exclusive use of …
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Synchrotron Based Infrared Microspectroscopy of Carbonaceous Chondrites.
… and carbonate bands in all meteorites. Two dimensional infrared maps for NWA 852 and Orgueil show that carbonates are spatially separated from water+organic combination, silicates, OH, and CH distributions. Overlapping of the latter three in NWA 852 and Tagish Lake suggests a possible …
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Ultrafast infrared spectroscopy investigation of DNA-ligand interactions
Two-dimensional infrared spectroscopy (2D-IR) is a label-free analysis method that can provide structural insight into biological processes by uncovering the coupling between the intrinsic, vibrational modes of a molecule. Technological advancements in the last decade have drastically reduced …
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Observing the unfolding transition of [beta]-hairpin peptides with nonlinear infrared spectroscopy
… is in large measure determined by its three-dimensional structure. To date, however, the transition of the protein between the native and non-native conformations is not well-understood. Part of the difficulty is the large conformational space available to a poly-peptide chain, and a general …
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Studies of biofluid analysis using 2D-IR spectroscopy
In this thesis, the application of two-dimensional infrared (2D-IR) spectroscopy is evaluated to provide a quantitative analysis of the protein content of blood serum. The foremost challenge is obtaining protein measurements in physiologically relevant solvents as the most informative infrared peak …
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Remaining Unperturbed by the Vibrational Response: Probing Vibrational Coupling, Relaxation, and Solvent Effects with 2D IR Spectroscopy
… systems in solution is through the use of Two-Dimensional Infrared (2D IR) spectroscopy. 2D IR is an ultrafast laser technique that is capable of probing the vibrational properties and dynamics down to the picosecond or even femtosecond timescales. This technique enables the analysis of …
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