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Showing 1 to 20 of 295 for “"Circular Dichroism"”.
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Theoretical Circular Dichroism Of Lysozyme, Myoglobin And Collagen And Experimental Circular Dichroism Of Myoglobin And Pea Lectin
… to these structures and their interactions. Circular dichroism (CD), which is one of these techniques, is a powerful structural biology technique used to study protein and nucleic acid structures and their dynamics. This technique is important because it identifies the secondary, tertiary and …
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Advanced Quantum Mechanical Simulations of Circular Dichroism Spectra
… to predict optical rotations and electronic circular dichroism for naturally occurring antiplasmodial and anticancer drug candidates. We find that by comparing the computational results directly with those obtained through experimental measurement, we can provide reliable absolute config- …
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Absorption flattening correction of circular dichroism spectra of particle suspensions
… for correction for absorption flattening of circular dichroism (CD) measurements on particle suspensions. However, they have not been directly tested experimentally and there remains doubt as to whether the corrections are actually accurate. The aim of this thesis was to test the correction …
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Spin polarization, circular dichroism, and robustness of topological surface states
Dreidimensionale topologische Isolatoren sind ein neues Materialsystem, welches dadurch charakterisiert ist, dass es in seinem Inneren isolierend an der Ober äche jedoch leitend ist. Ursächlich für die Leitfähigkeit an der Ober äche sind sogenannte topologische Ober- ächenzustände, welche das …
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Analysing Vibrational Circular Dichroism: Confidence Levels for Absolute Chirality Assignment
… of chiroptical methods such as vibrational circular dichroism (VCD) spectroscopy is valuable in the assignment of absolute chirality. Assignment of chirality traditionally involves visual comparison of calculated and experimental spectra which can be subjective and time consuming. …
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Photoelectron circular dichroism of anionic chiral metal complexes and deprotonated molecules
Photoelectron circular dichroism (PECD) emerges as an asymmetry in the spatial distribution (regarding the light direction) of electrons detached from chiral molecules with left or right circular polarized light. In the past two decades PECD spectroscopy has manifested as a potential method for …
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Development of methodology to assign absolute configurations using vibrational circular dichroism
De kennis van de 3D structuur van actieve bestanddelen van chirale medicijnen is zeer belangrijk, aangezien stereo-isomeren dikwijls een verschillende activiteit vertonen. Er zijn meerdere technieken beschikbaar om deze Absolute Configuratie te bepalen (eenkristal x-straal diffractie bijv.). Een …
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Infrared and circular dichroism studies of carbon-13 isotopically labeled peptide models.
Infrared and circular dichroism studies of carbon-13 isotopically labeled peptide models.
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Part I: Circular dichroism studies of optically active charge transfer complexes. Part II: vapor phase and solvent dependence circular dichroism studies of some terpenes, α-phenylethanol, and α-phenylethylamine
<p>The circular dichroism charge transfer (CT) spectra of the achiral acceptors TCNE, DDQ, and Vitamin K<sub>3</sub> with chiral donors such as terpenes, steroids and β-phenylethylamine derivatives in methylene chloride at 27° were investigated. A new transition not attributable to either component …
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A critical assessment of possible pitfalls in absolute configuration assignment using Vibrational Circular Dichroism
Vibrational Circular Dichroism (VCD) is no longuer a curious novelty in the field of molecular spectroscopy as VCD spectrometers are commercially available as well as the algorithms to calculate the spectra, which are implemented in various software packages. This makes VCD routinely applicable for …
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Multiple Kinetic Resolution of Tetrathia[7]helicenes. Towards the Study of Two Photon Circular Dichroism.
This doctoral thesis had as its aim the asymmetric synthesis of tetrathia[7]helicene derivatives using a newly developed multiple kinetic resolution (multi-KR) approach. The derivatives obtained (formyl- and diformylhelicene) should also be useful intermediates for the synthesis of chiral push-pull …
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Structure-Property Relationship of the Two-Photon Circular Dichroism of Compounds with Axial and Helical Chirality
… responses that enantiomers have to linear or circularly polarized light of both handedness. More specifically, Electronic Circular Dichroism (ECD) which measures the differences in linear absorption of left and right circularly polarized light has been the method par excellence for the …
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The Magneto Circular Dichroism of Octahedral Chromium(iii) in Ruby and of Tetrahedral Cobalt(ii) Halides
Made available in DSpace on 2014-12-09T17:36:26Z (GMT). No. of bitstreams: 1 7000989.pdf: 4318738 bytes, checksum: 9f9280fcca1ac59b6558f256076f598f (MD5) Previous issue date: 1969
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Investigation of the Structure and Kinetics of Heme-Containing Proteins Using Magnetic Circular Dichroism and Rapid-Scan, Stopped-Flow Spectroscopy
… properties of heme-containing proteins, magnetic circular dichroism (MCD) spectrophotometry was used to determine structural aspects of different heme-containing proteins. </p> <p> In part one of this dissertation, two projects highlight the kinetics of reacting thiolate-ligated heme proteins with …
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Finite-Difference and Analytic-Gradient Approaches for Simulating Vibrational Circular Dichroism Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction
Vibrational circular dichroism (VCD) is defined as the differential absorption of left- and right-circularly polarized light in the infrared region of the electromagnetic spectrum. Application of this spectroscopy is primarily directed towards the elucidation of molecular absolute configuration. As …
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Structural Investigations of Nematode Anhydrobiotic and Rab11-FIP Proteins by Far-UV Circular Dichroism and Mid-IR Fourier Transform Infra-Red Spectroscopy
Analysis of the secondary structures of the standard proteins myoglobin, hemoglobin, lysozyme and a-chymotrypsin by CD spectroscopy resulted in excellent agreement of estimated fractional composition with that observed by x-ray crystallography. CD spectroscopy was found to be very accurate for …
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