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Relevant bibliographies by topics / Chemical kinetics. Nuclear magnetic resonance

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Academic literature on the topic 'Chemical kinetics. Nuclear magnetic resonance'

Author: Grafiati

Published: 4 June 2021

Last updated: 11 February 2022

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Journal articles on the topic "Chemical kinetics. Nuclear magnetic resonance"

1

Grzesiek, S., M. Allan, F. Cordier, et al. "Nuclear magnetic resonance as a quantitative tool to study interactions in biomacromolecules." Pure and Applied Chemistry 77, no. 8 (2005): 1409–24. http://dx.doi.org/10.1351/pac200577081409.

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High-resolution nuclear magnetic resonance (NMR) has emerged as one of the most versatile tools for the quantitative study of structure, kinetics, and thermodynamics of biomolecules and their interactions at atomic resolution. Traditionally, nuclear Overhauser enhancements (NOEs) and chemical shift perturbation methods are used to determine molecular geometries and to identify contact surfaces, but more recently, weak anisotropic orientation, anisotropic diffusion, and scalar couplings across hydrogen bonds provide additional information.Examples of such technologies are shown as applied to th

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Pagès, Guilhem, and Philip W. Kuchel. "Mathematical Modeling and Data Analysis of Nmr Experiments Using Hyperpolarized 13C Metabolites." Magnetic Resonance Insights 6 (January 2013): MRI.S11084. http://dx.doi.org/10.4137/mri.s11084.

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Rapid-dissolution dynamic nuclear polarization (DNP) has made significant impact in the characterization and understanding of metabolism that occurs on the sub-minute timescale in several diseases. While significant efforts have been made in developing applications, and in designing rapid-imaging radiofrequency (RF) and magnetic field gradient pulse sequences, very few groups have worked on implementing realistic mathematical/kinetic/relaxation models to fit the emergent data. The critical aspects to consider when modeling DNP experiments depend on both nuclear magnetic resonance (NMR) and (bi

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3

Van Den Thillart, G., and A. Van Waarde. "Nuclear magnetic resonance spectroscopy of living systems: applications in comparative physiology." Physiological Reviews 76, no. 3 (1996): 799–837. http://dx.doi.org/10.1152/physrev.1996.76.3.799.

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The most attractive feature of nuclear magnetic resonance spectroscopy (MRS) is the noninvasive and nondestructive measurement of chemical compounds in intact tissues. MRS already has many applications in comparative physiology, usually based on observation of 31P, since levels of phosphorus compounds indicate tissue energy status and are changed during exercise, fatigue, recovery, hypometabolism, anesthesia, hypoxia, hypercapnia, and osmotic and acid stress. Nuclei other than 31P may also be monitored, such as 1H, 13C, 15N, 19F, or 23Na, and applied in biological research. Particularly, 13C-M

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4

Whittier, Sean K., Alvan C. Hengge, and J. Patrick Loria. "Conformational Motions Regulate Phosphoryl Transfer in Related Protein Tyrosine Phosphatases." Science 341, no. 6148 (2013): 899–903. http://dx.doi.org/10.1126/science.1241735.

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Many studies have implicated a role for conformational motions during the catalytic cycle, acting to optimize the binding pocket or facilitate product release, but a more intimate role in the chemical reaction has not been described. We address this by monitoring active-site loop motion in two protein tyrosine phosphatases (PTPs) using nuclear magnetic resonance spectroscopy. The PTPs, YopH and PTP1B, have very different catalytic rates; however, we find in both that the active-site loop closes to its catalytically competent position at rates that mirror the phosphotyrosine cleavage kinetics.

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Fauconnier, Theresa, Alex D. Bain, Paul Hazendonk, R. A. Bell, and Colin JL Lock. "Structure and dynamics of azapropazone derivatives studied by crystallography and nuclear magnetic resonance." Canadian Journal of Chemistry 76, no. 4 (1998): 426–30. http://dx.doi.org/10.1139/v98-031.

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The X-ray crystal structure of a derivative of the nonsteroidal anti-inflammatory drug, azapropazone, has been determined using a data set obtained from a charge-coupled device (CCD) area detector. Azapropazone itself, 5-(dimethylamino)-9-methyl-2-propyl-1H-pyrazolo[1,2-a][1,2,4]benzotriazine- 1,3(2H)-dione, has previously been shown to be nonplanar, probably due to steric interactions between the pyrazolidine ring and the exocyclic dimethylamino group. The derivative studied in this work, 3-dimethylamino-7-methyl-1,2,4-benzotriazine, does not have the pyrazolidine ring and is shown here to be

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6

Catchen, Gary L. "Perturbed-Angular-Correlation Spectroscopy: Renaissance of a Nuclear Technique." MRS Bulletin 20, no. 7 (1995): 37–46. http://dx.doi.org/10.1557/s0883769400037167.

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During the past decade, perturbed-angular-correlation (PAC) spectroscopy has emerged as an important technique in several areas of materials science. PAC spectroscopy is used to measure the effects of local fields at well-defined lattice sites in a crystal. These measurements can provide unique information about the structures, kinetics, and energetics associated with point defects, the mechanisms of phase transitions, and the strengths and symmetries of chemical bonds of atoms on surfaces and at interfaces. In what follows, I describe the PAC technique in the context of several examples of th

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Combourieu, B., P. Besse, M. Sancelme, et al. "Morpholine Degradation Pathway of Mycobacterium aurumMO1: Direct Evidence of Intermediates by In Situ 1H Nuclear Magnetic Resonance." Applied and Environmental Microbiology 64, no. 1 (1998): 153–58. http://dx.doi.org/10.1128/aem.64.1.153-158.1998.

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ABSTRACT Resting Mycobacterium aurum MO1 cells were incubated with morpholine, a waste from the chemical industry. The kinetics of biodegradation was monitored by using in situ nuclear magnetic resonance (NMR). The incubation medium was directly analyzed by1H NMR. This technique allowed the unambiguous identification of two intermediates of the metabolic pathway involved in the biodegradation process, glycolate and 2-(2-aminoethoxy)acetate. The latter compound, which was not commercially available, was synthesized, in three steps, from 2-(2-aminoethoxy)ethanol. Quantitative analysis of the kin

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Mattsson, Cecilia, Merima Hasani, Binh Dang, Maxim Mayzel, and Hans Theliander. "About structural changes of lignin during kraft cooking and the kinetics of delignification." Holzforschung 71, no. 7-8 (2017): 545–53. http://dx.doi.org/10.1515/hf-2016-0190.

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Abstract Wood meal was submitted to kraft cooking in a small-scale flow-through reactor and the structural changes of lignin have been investigated. The rate determining steps in kraft cooking were in focus. Based on two-dimensional nuclear magnetic resonance (2D-NMR) measurements on lignin fractions extracted at different cooking times from the black liquor, it was observed that the main lignin reactions occur within 10–20 min and thus the kinetics of the chemical reaction cannot be the rate-determining step. On the other hand, the molecular weight (MW) of lignin is shifted towards larger fra

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Saravanan, R., and L. Ravikumar. "Cellulose bearing Schiff base and carboxylic acid chelating groups: a low cost and green adsorbent for heavy metal ion removal from aqueous solution." Water Science and Technology 74, no. 8 (2016): 1780–92. http://dx.doi.org/10.2166/wst.2016.296.

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Chemically modiﬁed cellulose bearing metal binding sites like Schiff base and carboxylic acid groups was synthesized and characterized through Fourier transform infrared and solid state 13C–nuclear magnetic resonance (NMR) analysis. The chemically modiﬁed cellulose (Cell-PA) adsorbent was examined for its metal ion uptake ability for Cu(II) and Pb(II) ions from aqueous solution. Kinetic and isotherm studies were carried out under optimum conditions. Pseudo-second-order kinetics and Langmuir isotherm fit well with the experimental data. Thermodynamic studies were also performed along with adsor

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Bouajila, J., G. Raffin, H. Waton, C. Sanglar, J. O. Païsse, and M. F. Grenier-Loustalot. "Phenolic Resins – Characterizations and Kinetic Studies of Different Resols Prepared with Different Catalysts and Formaldehyde/Phenol Ratios (I)." Polymers and Polymer Composites 10, no. 5 (2002): 341–60. http://dx.doi.org/10.1177/096739110201000502.

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The physicochemical and kinetic properties of resols prepared with different catalysts (NaOH, LiOH and Ba(OH)2) and variable formaldehyde/phenol ratios (2.5 £ R £ 3.5) were followed to determine their effects on the mechanisms and reaction products at a fixed pH and temperature. Kinetic monitoring and quantification of residual monomers were carried out by liquid chromatography coupled with mass spectrometry (LC/UV/MS), by 13C nuclear magnetic resonance (NMR) and by chemical assay for formaldehyde. Oligomer formation (n ≥ 2) was determined by LC/UV/MS, size exclusion chromatography (SEC) and 1

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Dissertations / Theses on the topic "Chemical kinetics. Nuclear magnetic resonance"

1

Gabriel, Christopher. "Effect of localized structural perturbations on dendrimer structure." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1155662110.

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郭伯章 and Bozhang Guo. "NMR spectroscopic and kinetic studies on acyclic and homocyclic enols." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1988. http://hub.hku.hk/bib/B31231135.

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Guo, Bozhang. "NMR spectroscopic and kinetic studies on acyclic and homocyclic enols /." [Hong Kong : University of Hong Kong], 1988. http://sunzi.lib.hku.hk/hkuto/record.jsp?B12352366.

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李耀忠 and Yiu-chung Lee. "NMR spectroscopic and kinetic studies on the hydrolyses of carbohydrate orthoesters." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1989. http://hub.hku.hk/bib/B31231615.

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Lee, Yiu-chung. "NMR spectroscopic and kinetic studies on the hydrolyses of carbohydrate orthoesters /." [Hong Kong : University of Hong Kong], 1989. http://sunzi.lib.hku.hk/hkuto/record.jsp?B12428589.

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Luo, Ying. "Heme Proton Resonance Assignments and Kinetics Study in High-spin and Mixed-spin Metmyoglobin Complexes by Chemical Exchange NMR Spectroscopy." PDXScholar, 1996. https://pdxscholar.library.pdx.edu/open_access_etds/5238.

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NMR studies of paramagnetic hemoproteins have improved significantly our understanding of the structure-function relationship ofhemoproteins in general. Up to date most of the studies focus on low-spin ferric systems which are characterized by relatively narrow resonance peaks and concomitant better resolution. However, characterizing in detail the NMR spectra of high-spin ferric hemoproteins is important since there are several hemoproteins, such as peroxidases, catalases, oxygenases, and some ferricytochromes that contain high-spin iron (III) in their biologically active forms. Yet assigning

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吳振平 and Zhen-ping Wu. "NMR spectroscopic and kinetic studies on secondary enamines and unstable dihydroxy derivatives of heterocyclic compounds." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1987. http://hub.hku.hk/bib/B3123141X.

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Wu, Zhen-ping. "NMR spectroscopic and kinetic studies on secondary enamines and unstable dihydroxy derivatives of heterocyclic compounds /." [Hong Kong : University of Hong Kong], 1987. http://sunzi.lib.hku.hk/hkuto/record.jsp?B12352391.

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黃友民 and Youmin Huang. "NMR spectroscopic and kinetic studies on secondary enamines of heterocyclic oximes hydrazones and semicarbazones." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1991. http://hub.hku.hk/bib/B31232243.

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Molefe, Duduzile Mabel. "Studies directed towards the synthesis of chromone carbaldehyde-derived HIV-1 protease inhibitors." Thesis, Rhodes University, 2008. http://hdl.handle.net/10962/d1015542.

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A series of chromone-3-carbaldehydes have been prepared using Vilsmeier-Haack methodology while a corresponding series of chromone-2-carbaldeydes have been synthesized via the Kostanecki-Robinson reaction. Baylis-Hillman reactions have been conducted on both series of chromone carbaldehydes using three different catalysts, viz., 1,4-diazabicyclo(2.2.2]octane (DABCO), 1,8-diazabicyclo[5.4.0]undec- 7-ene (DBU) and 3-hydroxyquinuclidine (3HQ), and acrylonitrile, methyl acrylate and methyl vinyl ketone as the activated alkenes. These reactions have typically (but not always!) afforded both normal

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Books on the topic "Chemical kinetics. Nuclear magnetic resonance"

1

Becker, Edwin D. High resolution NMR: Theory and chemical applications. 3rd ed. Academic Press, 2000.

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W, Linert, ed. Physico-chemical applications of NMR: A practical guide. World Scientific, 1996.

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3

NATO Advanced Study Institute on Methodological Approach to Multinuclear NMR in Liquids and Solids, Chemical Applications (1988 Maratea, Italy). Multinuclear magnetic resonance in liquids and solids, chemical applications. Kluwer Academic Publishers, 1990.

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4

Buchachenko, A. L. Magnetic isotope effect in chemistry and biochemistry. Nova Science Publishers, 2009.

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5

Duddeck, H. Structure elucidation by modern NMR: A workbook. Steinkopff, 1989.

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Duddeck, H. Structure elucidation by modern NMR: A workbook. 2nd ed. Steinkopff, 1992.

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W, Dietrich, ed. Structure elucidation by modern NMR: A workbook. 2nd ed. Steinkopff Verlag, 1992.

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W, Dietrich, and Tóth Gábor Ph D, eds. Structure elucidation by modern NMR: A workbook. 3rd ed. Steinkopff Verlag, 1998.

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9

Pihlaja, Kalevi. Carbon-13 NMR chemical shifts in structural and stereochemical analysis. VCH, 1994.

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10

C, Constable Edwin, and Hunter Brian K, eds. Modern NMR spectroscopy: A workbook of chemical problems. Oxford University Press, 1989.

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Book chapters on the topic "Chemical kinetics. Nuclear magnetic resonance"

1

Atta-ur-Rahman. "Chemical Shift in 1H-NMR Spectroscopy." In Nuclear Magnetic Resonance. Springer US, 1986. http://dx.doi.org/10.1007/978-1-4612-4894-1_1.

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Atta-ur-Rahman. "Chemical Shifts and Spin—Spin Couplings in 13C-NMR Spectroscopy." In Nuclear Magnetic Resonance. Springer US, 1986. http://dx.doi.org/10.1007/978-1-4612-4894-1_4.

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3

Goodman, B. A., and J. A. Chudek. "Nuclear magnetic resonance spectroscopy." In Clay Mineralogy: Spectroscopic and Chemical Determinative Methods. Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-011-0727-3_4.

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4

Bruno, Thomas J., and Paris D. N. Svoronos. "Nuclear Magnetic Resonance Spectroscopy." In CRC Handbook of Basic Tables for Chemical Analysis. CRC Press, 2020. http://dx.doi.org/10.1201/b22281-10.

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Bloom, Myer, and Irwin Oppenheim. "Intermolecular Forces Determined by Nuclear Magnetic Resonance." In Advances in Chemical Physics. John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470143582.ch10.

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Mikhova, B. M. "Nuclear magnetic resonance data of C10H27ClSeSi3." In Chemical Shifts and Coupling Constants for Carbon-13. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14249-9_989.

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Mikhova, B. M. "Nuclear magnetic resonance data of C9H10F6Se." In Chemical Shifts and Coupling Constants for Carbon-13. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14249-9_830.

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Mikhova, B. M. "Nuclear magnetic resonance data of C10H14Te." In Chemical Shifts and Coupling Constants for Carbon-13. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14249-9_931.

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Mikhova, B. M. "Nuclear magnetic resonance data of C10H15P." In Chemical Shifts and Coupling Constants for Carbon-13. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14249-9_946.

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Mikhova, B. M. "Nuclear magnetic resonance data of C10H23B2N2P." In Chemical Shifts and Coupling Constants for Carbon-13. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-14249-9_975.

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Conference papers on the topic "Chemical kinetics. Nuclear magnetic resonance"

1

Zhang, Xiangyun, Jun Li, Yangzhi Mo, and Gan Zhang. "Tow Solid-state 13C Nuclear Magnetic Resonance Methods for Detecting Chemical Structure of Coal Combustion Emissions." In 2016 5th International Conference on Sustainable Energy and Environment Engineering (ICSEEE 2016). Atlantis Press, 2016. http://dx.doi.org/10.2991/icseee-16.2016.106.

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Liu, Zheyu, Hongjie Cheng, Changfu Xu, Yukun Chen, Yihang Chen, and Yiqiang Li. "Effect of Lithology on Pore-Scale Residual Oil Displacement in Chemical Flooding Using Nuclear Magnetic Resonance Experiments." In SPE EOR Conference at Oil and Gas West Asia. Society of Petroleum Engineers, 2018. http://dx.doi.org/10.2118/190450-ms.

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Lee, Woonghee, and John L. Markley. "PACSY database, a relational database management system for Protein structure and nuclear Magnetic Resonance chemical shift analysis." In 2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops (BIBMW). IEEE, 2012. http://dx.doi.org/10.1109/bibmw.2012.6470267.

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Gardeniers, Han J. G. E. "Microfluidics for Chemical Processing." In ASME 2006 2nd Joint U.S.-European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering. ASMEDC, 2006. http://dx.doi.org/10.1115/fedsm2006-98562.

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Microfluidic systems, and more specifically, microfluidic chips, have a number of features that make them particularly useful for the study of chemical reactions on-line. The present paper will discuss two examples, the study of fluidic behaviour at high pressures and the excitation and detection of nuclear magnetic resonance in a reaction mixture, both in nanoliter volumes.

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Morawitz, Falk. "Multilayered Narration in Electroacoustic Music Composition Using Nuclear Magnetic Resonance Data Sonification and Acousmatic Storytelling." In ICAD 2019: The 25th International Conference on Auditory Display. Department of Computer and Information Sciences, Northumbria University, 2019. http://dx.doi.org/10.21785/icad2019.052.

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Nuclear magnetic resonance (NMR) spectroscopy is an analytical tool to determine the structure of chemical compounds. Unlike other spectroscopic methods, signals recorded using NMR spectrometers are frequently in a range of zero to 20000 Hz, making direct playback possible. As each type of molecule has, based on its structural features, distinct and predictable features in its NMR spectra, NMR data sonification can be used to create auditory ‘fingerprints’ of molecules. This paper describes the methodology of NMR data sonification of the nuclei nitrogen, phosphorous, and oxygen and analyses th

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Won, Sang Hee, Dalton Carpenter, Stuart Nates, and Frederick L. Dryer. "Derived Cetane Number As Chemical Potential Indicator for Near-Limit Combustion Behaviors in Gas Turbine Applications." In ASME 2018 Power Conference collocated with the ASME 2018 12th International Conference on Energy Sustainability and the ASME 2018 Nuclear Forum. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/power2018-7414.

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The objective of this paper is to elucidate the recently observed strong correlation between derived cetane number (DCN) and lean blow out (LBO) characteristics for both petroleum-derived and alternative jet fuels, as well as their blends. In order to evaluate the variability of fuel physical and chemical properties for petroleum-derived jet fuels, the fuel property database appearing in the DSIC-PQIS 2013 report are rigorously analyzed and compared against fuel-specific data for 17 petroleum-derived and alternative jet fuels and their blends obtained previously in our works. The global combus

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Tillman, David A. "Petroleum Coke as a Supplementary Fuel for Cyclone Boilers: Characteristics and Test Results." In 2002 International Joint Power Generation Conference. ASMEDC, 2002. http://dx.doi.org/10.1115/ijpgc2002-26157.

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Petroleum coke is periodically tested and used as a supplementary fuel for cyclone boilers. Its high heat content and low cost make it an attractive fuel for power generation. In cyclone boiler firing, it also has environmental advantages. While it is high in sulfur content, it can be used to reduce NOx emissions along with such trace metal emissions as mercury and arsenic. Successful firing of petroleum coke in cyclone boilers, however, requires considerable attention to fuel properties of the coal and the opportunity fuel including fuel structure and reactivity, and ash chemistries. This pap

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Paschoal, Diego F. S., and Joyce H. C. e. Silva. "Relativistic prediction of Pt-195 NMR chemical shift using the NMR- DKH basis sets." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol2020184.

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Nuclear magnetic resonance (NMR) spectroscopy has played an important role in the discovery and design of new drugs with antitumor potential and the Pt-195 NMR has a fundamental role since the Pt-195 nucleus is very sensitive to the nature of the ligands in the coordination sphere and the oxidation state of the metal. The theoretical prediction of the Pt-195 NMR chemical shift is an extremely difficult task in which several factors must be taken into accounts, such as basis sets, electronic correlation, solvent, and relativistic effects. In an earlier study, Paschoal et al. developed the NMR-D

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Popkov, Vyacheslav, Alexander Sterenberg, Vladimir Gusev, and Andrey Tyutyaev. "COGNITIVE GEOLOGY OF SUPERIMPOSED SCATTERING OF MOBILE ORE ELEMENTS, PROPER FORMS OF MULTISCALE STRUCTURAL STRESS STABILITY, BIOGENETIC ACCESS CODE OF RESOURCES AND FIELD ARTEFACTS." In GEOLINKS International Conference. SAIMA Consult Ltd, 2020. http://dx.doi.org/10.32008/geolinks2020/b1/v2/11.

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The authors present the theory is numerical / analytical method of multi-scaled 4D geomechanics – geo-dynamics of energy integration in geo-physical rhythms of Eigen-solution of Navier-Stokes equations for multi-level geological time space of evolution in structural compacted mass transfer at the basis of Newton’s Differential Law ∫V∫TρdS·∂2ξ/∂t2 following the integration formula of A. Einstein E(u,t)=ρVC2+∫V∫Tρ‹uv›dtdx. Сreate the theory (Restoration) and Maintenance of Water Eco-System with Given Parameters. They establish the geophysical seismic rhythms of geological cycles in deep structur

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Albuquerque, Ana Carolina Ferreira de, José Walkimar de Mesquita Carneiro, and Fernando Martins dos Santos Junior. "Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através de cálculos teóricos de deslocamentos químicos de RMN." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202063.

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The properties of natural products, including their biological and pharmacological activities, are directly correlated with their chemical structures. Thus, a correct structural characterization of these compounds is a crucial step to the understanding of their biological activities. However, despite the recent advances in spectroscopic techniques, structural studies of natural products can be challenging. This way, theoretical calculations of Nuclear Magnetic Resonance (NMR) parameters (such as chemical shifts and coupling constants) have proven to be a powerful and low-cost tool for the aid

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Reports on the topic "Chemical kinetics. Nuclear magnetic resonance"

1

Alam, T. M. Ab Initio Calculation of Nuclear Magnetic Resonance Chemical Shift Anisotropy Tensors 1. Influence of Basis Set on the Calculation of 31P Chemical Shifts. Office of Scientific and Technical Information (OSTI), 1998. http://dx.doi.org/10.2172/833.

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Netzel, D. A., and P. T. Coover. An NMR (nuclear magnetic resonance) investigation of the chemical association and molecular dynamics in asphalt ridge tar sand ore and bitumen. Office of Scientific and Technical Information (OSTI), 1987. http://dx.doi.org/10.2172/5588596.

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