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Showing 1 to 20 of 30 for “"optical rotation"”.
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Ab initio Calculations of Optical Rotation
… little focus on the theoretical prediction of optical rotation. This property, also referred to as circular birefringence, is inherent to all chiral molecules and occurs because such samples exhibit different refractive indices for left- and right- circularly polarized light. This thesis …
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Theoretical Simulations of Optical Rotation and Raman Optical Activity of Molecules in Solution
<p>Chiroptical spectroscopic techniques such as optical rotation (OR), electronic circular dichroism (ECD), and Raman optical activity (ROA) provide the means to probe molecular dissymmetry, which is the arrangement of atoms that is not superimposable on its mirror image. However, the application …
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Expanding the Toolkit for Optical Rotation Calculations: Development of Interpretive Models and Extension to Solid State Systems
The measurement of optical rotation (OR) is a long standing approach forcharacterizing chiral systems. The ability to predict optical rotation theoretically without resorting to expensive \textit{ab initio} simulations would greatly aid in absolute configuration assignment of chiral species and …
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Structure and Stability Constants of Boron, Calcium, and Magnesium Gluconate Chelates From Optical Rotation and Computer Analysis
Made available in DSpace on 2014-12-09T17:36:23Z (GMT). No. of bitstreams: 1 6915392.pdf: 4748072 bytes, checksum: 50ce2e8bf06fe69c5486583c5613ecd1 (MD5) Previous issue date: 1969
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Accurate Prediction of Chiroptical Properties
Accurate theoretical predictions of optical rotation are of substantial utility to the chemical community enabling the determination of absolute configuration without the need for poten- tially lengthy total synthesis. The requirements for robust calculation of gas-phase optical rotation are well …
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Large-Scale Atomistic Simulations of Complex and Functional Properties of Ferroic Materials
… (LS3DF) method. I use these methods to explore optical rotation in FE vortices, electro-optic effects in FE vortices and skyrmions, and voltage amplification via negative capacitance in ferroelectric-paraelectric superlattices. We employ HEff in Monte Carlo and molecular dynamics schemes to …
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Towards an Improved Method for the Prediction of Linear Response Properties of Small Organic Molecules
… chemical methods to predict experimental chiroptical properties by solving the time-dependent Schrödinger equation are useful in the assignment of absolute configurations. Chiroptical properties, being very sensitive to the electronic structure of the system, require highly-accurate methods on …
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Experimental Study of Tricritical Phenomena in the Metamagnet Ferrous-Chloride
The magneto-optical rotation (theta)(,F) and heat capacity in constant applied field C(,H(,a)) have been simultaneously determined for the metamagnet FeCl(,2). Since (theta)(,F) is proportional to magnetization we are able, for the first time, to express both C(,H(,a)) and (theta)(,F) as functions …
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Local Correlation: Implementation and Application to Molecular Response Properties
… Properties such as polarizabilities and optical rotation are realized through linear response theory, where the Hamiltonian is subject to an external perturbation and the wave function is allowed to respond to the applied perturbation. Within the context of local correlation it is …
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Generation and application of squeezed light
… light and its effects in two different quantum optical systems is presented. Firstly a more technology-oriented application of squeezed states is discussed, namely a four-wave mixing optical rotation sensor. In an optical rotation sensor or “laser gyroscope” an external rotation is measured by …
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Explorations with optically active, cage-annulated crown ethers.
A variety of optically active macrocyclic crown ethers that serve as "host" systems that are capable of differentiating between enantiomeric "guest" molecules during host-guest complexation have been prepared via incorporation of chiral elements into the crown ring skeleton. The ability of these …
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Some non-cellulosic b-D-Glycans from plant sources
… of gas liquid chromatography mass spectrometry), optical rotation measurements, mass spectrometry and n.m.r. spectroscopy on the original polysaccharides and on degraded products obtained by methods such as acid- or enzyme-catalysed hydrolysis and Smith degradation.
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A fiber optic polarimeter for use in chemical analysis
… of the extent and direction that an optically active chemical species will rotate incident linearly polarized light. Although well developed for physical sensing, the technique of fiber optic polarimetry for chemical sensing remains in its infancy. This thesis is concerned with the …
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Synthesis of Protected Amino Alcohols and Amino Aldehydes.
… aldehydes were characterized by NMR, IR, TLC, optical rotation, and derivatization.A total synthesis of antipain was designed, based on the synthetic method developed above. Although the total synthesis of antipain was not completed, a tetrapeptide which contains all the requisite functionality …
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Searching for Anticancer Agents and Antimalarial Agents from Madagascar
… 1D and 2D NMR, UV and IR spectroscopic and optical rotation data. Other than structure elucidation, this dissertation also involve bioactivity evaluation of all the isolates, synthesis of two interesting alkaloids, as well as a proposal for the possible biosynthetic pathway of the new …
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Isolation and Structure Elucidation of Anticancer and Antimalarial Natural Products
… NMR spectroscopy, mass spectrometry, UV, IR, CD, optical rotation, and chemical modifications. Compounds 5.1 and 5.2 showed moderate antiproliferative activity against the A2780 human ovarian cancer cell line assay with IC50 values of 3 uM and 10 uM, respectively. Compound 3.1 showed potent …
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Isolation, Synthesis and Structure-Activity Relationship Study of Anticancer and Antimalarial Agents from Natural Products
… 1D and 2D NMR, UV and IR spectroscopic and optical rotation data. Other than structural elucidation, this work also involved bioactivity evaluations of all the isolates, as well as total synthesis of the two antiproliferative sesquiterpenoids, and a structure-activity relationship (SAR) …
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Studies on the stereo- and regiochemistry of [4+2] cycloaddition of nitroso compounds to chiral halobenzenediols. Total synthesis of lycoricidine
… 2, aminoconduritol A-1 3 and lycoricidine 4. The optical purity of bromocyclohexadienediol, was determined by its conversion to three different natural products ((+)-conduritol E 1, (-)-conduritol F 2, and (+)- aminoconduritol A-1 3), and compared with their optical rotation. Several dienophiles …
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Isolation of Natural Products from Casearia nigrescens
… was determined by comparison of the NMR, MS, optical rotation, UV, and IR data with the data found in the literature. The structure of casearlucin L was determined by NMR data and comparison with the NMR data for similar known compounds.
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Laser-based optical activity detector for high performance liquid chromatography
… been demonstrated is detection based on the rotation of polarized light by optically active molecules. One can make use of the presence or absence of optical activity, the sign of the optical rotation, as well as the wavelength dependence of the rotation, to aid in the identification of …
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