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Showing 1 to 20 of 199 for “"NMR SPECTRA *"”.
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The effects of sample rotation on the NMR spectra of solids.
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1979.
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Quantification of Molecular Structural Uncertainty Through Automated Computational Analysis of NMR Spectra
… information from the data. Manual methods of NMR analysis are incredibly labour intensive and prone to errors, whilst computational methods typically rely on DFT which is too computationally intensive for such high-through put use. In this work new ways of estimating the uncertainty in …
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Sonically induced narrowing of the NMR spectra of solids and other novel NMR techniques
A typical liquid state NMR spectrum is composed of a number of discrete absorptions which can be readily interpreted to yield detailed information about the chemical environment of the nuclei found within the sample. The same cannot be said about the spectra of solid samples. For these the …
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Simultaneous extraction of order parameters and orientational distribution fuctions from 31[superscript]P NMR spectra of magnetically partially oriented phospholipid bilayers
Order parameter profiles extracted from the NMR spectra of model membranes are a valuable source of information about their structure and molecular motions. To al1alyze powder spectra the de-Pake-ing (numerical deconvolution) ~echnique can be used, but it assumes a random (spherical) dist.ribution …
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Nuclear Magnetic Resonance Studies of Model and Biological Membranes
… MASS is shown to yield high resolution $\sp1$H NMR spectra from a smectic, nematic, and hexagonal-II phase liquid crystals. Isotropic chemical shifts, order parameters, and relaxation times can be determined from these spectra. Such experiments are possible because of the special form of the …
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Multinuclear Solid-State NMR Studies of Supported Transition Metal Carbonyls
… and oxygen-17 nuclear magnetic resonance (NMR) spectra have been obtained for a variety of transition metal carbonyl clusters, metal oxides, and oxide-supported metal carbonyl complexes. Magic-angle spinning (MAS) C-13 NMR spectra of polycrystalline metal carbonyl clusters yield both …
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Phosphorus-31 NMR Spectroscopy of Parasitic Protozoa
31P NMR spectra have been obtained of various parasitic protozoa including Trypanosoma cruzi, Leishmania major, Trypanosoma brucei, Plasmodium berghei, Toxoplasma gondii, and Cryptosporidium parvum. The unifying features of solution-state 31P NMR spectra of acid extracts of these parasites were …
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Halo-fosfatų 31P, 1H ir 35Cl kietojo kūno BMR tyrimas /
… study, solid state Nuclear Magnetic Resonance (NMR) was used to investigate samples, composed of calcium chlorapatite (Ca5(PO4)3Cl) [4] or goryainovite (Ca2(PO4)Cl) [5], with varying morphology. 31P, 1H, 35Cl MAS [14], and 35Cl wideline NMR [15] spectra were used to determine materials present …
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Evaluation of the sonically induced narrowing of nuclear magnetic resonance spectra of solids
The Nuclear Magnetic Resonance (NMR) spectra of liquids contain a wealth of quantitative information that may be derived, for instance, from chemical shifts and spin-spin couplings. The available information depends on the incoherent rapid molecular motion that causes complicating effects present …
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NMR STRUCTURAL INVESTIGATIONS OF AQUATIC HUMIC SUBSTANCES (PYRAZOLINE, 1,3-DIPOLAR ADDITION, NITROGEN-15).
… ¹³C-enriched reagents and looking at the ¹³C NMR of the resulting methyl esters and ethers. The methylation procedure entailed methylation with ¹³C-diazomethane followed by permethylation with ¹³C-methyl iodide/sodium hydride, DMF the solvent in both steps. The ¹³C NMR of diazomethylated …
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Development of first principles paramagnetic NMR methodologies to probe the complex local structural properties of Li-ion battery materials
NMR spectroscopy of paramagnetic solids provides detailed information about the local configuration and the chemical environment of the NMR observed center, as well as about the structural, magnetic and electronic properties of the coordianted paramagnetic centres. In the case of complex …
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A study of the isomers of the higher fullerenes and the synthesis and study of fullerene hydrides
… of the higher fullerenes were analyzed using 3He NMR spectroscopy. Structures have been assigned to isomers for C76, C78 and C84. Several fullerene hydrides, C60H n (n = 2, 4, 6, 8, 18, 36), have been synthesized using a novel hydrazine reduction. Other fullerene hydrides, C60Hn (n = 38, 40, 42, …
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The synthesis of peroxyesters
… and benzyl 3-chloroperoxybenzoate, and their 'H NMR spectra were recorded. The method did not yield simple primary peroxyesters. As well as the peroxyesters formed, other organic peroxides too were prepared or purified and analysed. This thesis also provides IR, and 'H and 13 C NMR spectra of …
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Axial Ligand Studies in Iron Triad Metalloporphyrins
… functional calculations to derive solid state NMR spectra.
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Fullerene hydrides and studies toward the syntheses of fulvalenes
… C60H38, C 60H40, C60H42 and C60H 44. 1H- and 13C-NMR spectra of HPLC purified fractions show that more highly hydrogenated fullerenes exhibit signals that are shifted upfield. The opposite trend was observed in 3He NMR spectra of the corresponding endohedral helium compounds. The trend in the 3He …
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Studi di metabonomica basata sull'NMR in medicina sulla sclerosi multipla negli adulti e sull'insufficienza renale neonatale
… of pathology in multiple sclerosis based on NMR spectra of cerobrospinal fluid. Second model proposes an NMR based classification of preterm newborn's urine in order to discriminate pathological states connected with kidney disaeses.
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Solvophobically-Driven Folding of Non-Biological Oligomers and the Solid Phase Synthesis of Phenylacetylene Oligomers
… Chain length dependence of UV/Vis and $\sp1$H NMR spectra provide strong evidence of the ordering of monomers and intramolecular aromatic stacking which is consistent with the formation of helical structures. Using UV/Vis absorption at 303 nm as an indication of helical structure, reversible …
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Stereochemistry and Mechanism of the Enzyme -Catalyzed Cyclizations of Farnesyl Diphosphate to the Sesquiterpenes Epi -Aristolochene, Epi-Eremophilene and Vetispiradiene
… 1]FPPs were incubated with TEAS, and the 3H NMR spectra showed that several tritiated compounds were present. The facial selectivity of the proton elimination at the cis terminal could not be determined because of low radiochemical purity.
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Isolation and Structural Elucidation of Compounds from Natural Products
… were done using mass spectrometry, 1D and 2D NMR spectroscopy techniques. A systematic study of the ethanol extract of the plant Neoharmsia baronii Drake from the Madagascar forest led to the isolation of seven compounds, characterized as isoflavones and pterocarpans. The structures of the …
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