Relevant bibliographies by topics / Structure Elucidation by NMR

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Structure Elucidation by NMR'

Author: Grafiati
Published: 4 June 2021
Last updated: 5 February 2022

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Journal articles on the topic "Structure Elucidation by NMR"

1

Morris, G. A. "Modern NMR techniques for structure elucidation." Magnetic Resonance in Chemistry 24, no. 5 (1986): 371–403. http://dx.doi.org/10.1002/mrc.1260240502.

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Elyashberg, M. E., A. J. Williams, and G. E. Martin. "Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation." Progress in Nuclear Magnetic Resonance Spectroscopy 53, no. 1-2 (2008): 1–104. http://dx.doi.org/10.1016/j.pnmrs.2007.04.003.

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Costantin, Mara B., Marcelo J. P. Ferreira, Gilberto V. Rodrigues, and Vicente P. Emerenciano. "Computer-aided Structure Elucidation of Neolignans." Natural Product Communications 5, no. 5 (2010): 1934578X1000500. http://dx.doi.org/10.1177/1934578x1000500516.

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This paper describes a new module of the expert system SISTEMAT used for the prediction of the skeletons of neolignans by 13C NMR, 1H NMR and botanical data obtained from the literature. SISTEMAT is composed of MACRONO, SISCONST, C13MACH, H1MACH and SISOCBOT programs, each analyzing data of the neolignan in question to predict the carbon skeleton of the compound. From these results, the global probability is computed and the most probable skeleton predicted. SISTEMAT predicted the skeletons of 75% of the 20 neolignans tested, in a rapid and simple procedure demonstrating its advantage for the
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Elyashberg, Mikhail. "Identification and structure elucidation by NMR spectroscopy." TrAC Trends in Analytical Chemistry 69 (June 2015): 88–97. http://dx.doi.org/10.1016/j.trac.2015.02.014.

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Grishaev, A., and M. Llinas. "Protein structure elucidation from NMR proton densities." Proceedings of the National Academy of Sciences 99, no. 10 (2002): 6713–18. http://dx.doi.org/10.1073/pnas.042114399.

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Anderson, GJ, and CA Smith. "Structure elucidation by NMR in organic chemistry." Biochemical Education 21, no. 3 (1993): 160. http://dx.doi.org/10.1016/0307-4412(93)90147-r.

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Delepierre, M. "Structure elucidation by NMR in organic chemistry." Biochimie 75, no. 9 (1993): 831–32. http://dx.doi.org/10.1016/0300-9084(93)90137-h.

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Sunaryanto, Rofiq, Bambang Marwoto, Tun Tedja Irawadi, Zainal Alim Mas’ud, and Liesbetini Hartoto. "ANTIBIOTIC COMPOUND FROM MARINE ACTINOMYCETES (Streptomyces sp A11): ISOLATION AND STRUCTURE ELUCIDATON." Indonesian Journal of Chemistry 10, no. 2 (2010): 219–25. http://dx.doi.org/10.22146/ijc.21464.

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Purification and structure elucidation of antibiotic produced by marine actinomycetes (Streptomyces sp A11) was conducted. Production of antibiotic was carried out by liquid fermentation using yeast and peptone medium for 5 days fermentation. Purification of antibiotic was carried out by silica gel 60 (Merck, 0.063-0.200 mm) column chromatography and preparative HPLC. Structure elucidation was carried out using ESI-MS, 1H NMR, 13C NMR, DEPT 13C NMR, and FTIR. This antibiotic was identified as cyclo (tyrosyl-prolyl) / (C14H16N2O3). This antibiotic had biological activity to Escherichia coli ATC
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Januar, Hedi Indra, Neviaty Putri Zamani, Dedi Soedharma, and Ekowati Chasanah. "Logic Structure Determination (LSD) as a Computer Assisted Structure Elucidation (Case) for Molecular Structure Determination of Cytotoxic Cembranoids from Soft Coral." Squalen Bulletin of Marine and Fisheries Postharvest and Biotechnology 11, no. 1 (2016): 1. http://dx.doi.org/10.15578/squalen.v11i1.177.

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The tropical Indonesian soft corals are a valuable resources that produce pharmacological cytotoxic cembranoids. However, manual structure determination into these compounds requires adequate knowledge of organic chemistry. This study presents the application of Logic Structure Determination (LSD), as a freeware Computer Assisted Structure Elucidation (CASE) for automatic molecular structure determination of cembranoid compounds from soft corals species. 12 Nuclear Magnetic Resonance (NMR) dataset of cytotoxic cembranoids were used to evaluate the accuracy of LSD in generating the possible str
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Kupče, Ēriks, and Tim D. W. Claridge. "Molecular structure from a single NMR supersequence." Chemical Communications 54, no. 52 (2018): 7139–42. http://dx.doi.org/10.1039/c8cc03296c.

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Dissertations / Theses on the topic "Structure Elucidation by NMR"

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Tatolo, Godiraone. "Improved NMR-based methods for molecular structure elucidation." Thesis, University of Bristol, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.680109.

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The use of 1H_I3C NMR correlations and its corresponding I1JCH has found a tremendous use in structural elucidation of organic compounds. Chapter 1 highlights different methods for determination of IH_13C correlations and for the measurement of I1JCH. In this work we reported two improved methods for determination of IH_I3C correlations (CTgc2HMBC) and, for the measurement of nJCH (SelEXSIDE). Chapter 2 describes the work undeliaken in order to quantify improvements to the gradient heteronuclear multiple bond correlation (HMBC) experiment specifically to design a constant time gradient HMBC (C
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Tsiao, Candy. "Approaches to intermolecular structure elucidation utilizing NMR and DNP parameters." Diss., Virginia Polytechnic Institute and State University, 1989. http://hdl.handle.net/10919/54441.

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This thesis is divided into two parts. The first part involves the study of molecular structure utilizing Ianthanide induced shift (LIS) and lanthanide induced relaxation (LIR) nuclear magnetic resonance (NMR). It the course of these studies, it was found that the trifluoroethoxy group is a good deactivating group towards lanthanide shift reagents (LSR) and can be used to selectively deactivate multifunctional molecules. The second part of the thesis involves the utilization of liquid-liquid intermolecular transfer (LLIT) dynamic nuclear polarization (DNP) to study the microwave power needed
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Al-Busaidi, Harith N. K. "Secondary metabolites from Xylaria endophytes : the isolation and structure elucidation of secondary metabolites from Xylaria endophytes by chemical and spectroscopic methods." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/5266.

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Pöppler, Ann-Christin. "Advanced NMR Methodology for the Investigation of Organometallic Compounds in Solution." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2013. http://hdl.handle.net/11858/00-1735-0000-0001-BC26-5.

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Ståhle, Jonas. "Structure Elucidations of Bacterial Polysaccharides using NMR Spectroscopy and Bioinformatics." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-146867.

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Carbohydrates are ubiquitous components in nature involved in a range of tasks. They cover every cell and contribute both structural stability as well as identity. Lipopolysaccharides are the outermost exposed part of the bacterial cell wall and the primary target for host-pathogen recognition. Understanding the structure and biosynthesis of these polysaccharides is crucial to combat disease and develop new medicine. Structural determinations can be carried out using NMR spectroscopy, a powerful tool giving information on an atomistic scale. This thesis is focused on method development to stud
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Al-Busaidi, Harith. "Secondary Metabolites from Xylaria Endophytes: The isolation and structure elucidation of secondary metabolites from Xylaria endophytes by chemical and spectroscopic methods." Thesis, University of Bradford, 2011. http://hdl.handle.net/10454/17479.

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This thesis describes the isolation and structure elucidation of secondary metabolites from a number of endophytic Xylaria fungi. Six Xylaria endophytes were surface cultured on an aqueous malt extract-glucose medium. The fungus A311R, from a palm tree in Thailand, produced nonane-1,2,3-tricarboxylic acid, which was isolated for the first time as a natural product. Also isolated from the same fungus was spiculisporic acid; the first instance of isolation from a Xylaria fungus. The fungus 6RD12 produced cycloepoxydon, which was isolated for the first time from a Xylaria fungus, and 4,5,6-trihyd
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Hong, Youlee. "Elucidation of Chain-Folding Structure and Crystallization Mechanism of Semicrystalline Polymer by Solid-State NMR." University of Akron / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=akron1430246993.

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Hedenström, Mattias. "NMR as a tool in drug research : Structure elucidation of peptidomimetics and pilicide-chaperone complexes." Doctoral thesis, Umeå universitet, Kemi, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-320.

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In the last decades NMR spectroscopy has become an invaluable tool both in academic research and in the pharmaceutical industry. This thesis describes applications of NMR spectroscopy in biomedicinal research for structure elucidation of biologically active peptides and peptidomimetics as well as in studies of ligand-protein interactions. The first part of this thesis describes the theory and methodology of structure calculations of peptides using experimental restraints derived from NMR spectroscopy. This methodology has been applied to novel mimetics of the peptide hormones desmopressin and
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Johar, Zeena. "Structure elucidation of non-natural analogues of DNA and RNA with nuclear magnetic resonance (NMR) /." Zürich : ETH, 2007. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=17256.

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Hedenström, Mattias. "NMR as a tool in drug research : structure elucidation of peptidomimetics and pilicide-chaperone complexes /." Umeå : Dept. of Chemistry, Univ, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-320.

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Books on the topic "Structure Elucidation by NMR"

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Duddeck, H., and W. Dietrich. Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7.

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Duddeck, Helmut, and Wolfgang Dietrich. Structure Elucidation by Modern NMR. Steinkopff, 1992. http://dx.doi.org/10.1007/978-3-642-97787-9.

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Duddeck, Helmut, Wolfgang Dietrich, and Gábor Tóth. Structure Elucidation by Modern NMR. Steinkopff, 1998. http://dx.doi.org/10.1007/978-3-642-88310-1.

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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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Bunsawansong, Pensri. Development of improved techniques for structure elucidation in NMR spectroscopy. University of Manchester, 1994.

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Structure elucidation by NMR in organic chemistry: A practical guide. Wiley, 1993.

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Structure elucidation by NMR in organic chemistry: A practical guide. 3rd ed. Wiley, 2002.

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Book chapters on the topic "Structure Elucidation by NMR"

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Webster, Francis X., and David J. Kiemle. "Structure Elucidation by NMR." In Methods in Chemical Ecology Volume 1. Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5423-3_5.

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Duddeck, H., and W. Dietrich. "Introduction." In Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7_1.

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Duddeck, H., and W. Dietrich. "Methodology." In Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7_2.

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Duddeck, H., and W. Dietrich. "Exercises." In Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7_3.

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Duddeck, H., and W. Dietrich. "Strategies." In Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7_4.

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Duddeck, H., and W. Dietrich. "Solutions." In Structure Elucidation by Modern NMR. Steinkopff, 1989. http://dx.doi.org/10.1007/978-3-642-97781-7_5.

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Duddeck, Helmut, and Wolfgang Dietrich. "Introduction." In Structure Elucidation by Modern NMR. Steinkopff, 1992. http://dx.doi.org/10.1007/978-3-642-97787-9_1.

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Duddeck, Helmut, and Wolfgang Dietrich. "Methodology." In Structure Elucidation by Modern NMR. Steinkopff, 1992. http://dx.doi.org/10.1007/978-3-642-97787-9_2.

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Duddeck, Helmut, and Wolfgang Dietrich. "Exercises." In Structure Elucidation by Modern NMR. Steinkopff, 1992. http://dx.doi.org/10.1007/978-3-642-97787-9_3.

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Duddeck, Helmut, and Wolfgang Dietrich. "Strategies." In Structure Elucidation by Modern NMR. Steinkopff, 1992. http://dx.doi.org/10.1007/978-3-642-97787-9_4.

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Conference papers on the topic "Structure Elucidation by NMR"

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Elyashberg, Mikhail, Eduard Martirosian, Lubov Zlatina, and Yuri Karasev. "Artificial intelligence system for molecular structure elucidation using infrared and nuclear magnetic resonance (NMR) spectra." In Fourier Transform Spectroscopy: Ninth International Conference, edited by John E. Bertie and Hal Wieser. SPIE, 1994. http://dx.doi.org/10.1117/12.166790.

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Brito, Jordana T., Lucas H. Martorano, Ana Carolina F. de Albuquerque, et al. "ESPECTROSCOPIA COMPUTACIONAL APLICADA AO REASSINALAMENTO ESTRUTURAL DE MOLÉCULAS QUIRAIS: HELIANNUOL L." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202025.

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In the past, structure determination of natural products was an arduous process depending almost entirely on chemical synthesis, mainly by derivatization and degradation processes, taking years of effort. Recently, structural elucidation of natural products has undergone a revolution. Nowadays, with the combined use of different advanced spectroscopic methods, it became possible to completely assign the structure of natural products using small amounts of sample. However, despite the extraordinary ongoing advances in spectroscopy, the mischaracterization of natural products has been and remain
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Neudert, Reinhard. "Computer-assisted structure elucidation based on spectroscopy." In The first European conference on computational chemistry (E.C.C.C.1). AIP, 1995. http://dx.doi.org/10.1063/1.47780.

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Macedo, M. A. V., J. A. M. Pereira, Floyd D. McDaniel, and Barney L. Doyle. "Unidimensional Kinematics as a Tool for Molecular Structure Elucidation." In APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: Twentieth International Conference. AIP, 2009. http://dx.doi.org/10.1063/1.3120024.

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Rieping, Wolfgang. "Structure determination from heterogeneous NMR data." In BAYESIAN INFERENCE AND MAXIMUM ENTROPY METHODS IN SCIENCE AND ENGINEERING: 24th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering. AIP, 2004. http://dx.doi.org/10.1063/1.1835222.

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Garrett, Simon J. "Elucidation of adsorbate structure and dynamics from photofragment angular distributions." In Optoelectronics and High-Power Lasers & Applications, edited by Hai-Lung Dai and Hans-Joachim Freund. SPIE, 1998. http://dx.doi.org/10.1117/12.307137.

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Maekawa, Y., Y. Shibuta, and T. Sakata. "Elucidation of semiconductor / bio-interface structure by molecular dynamics simulation." In 2014 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 2014. http://dx.doi.org/10.7567/ssdm.2014.d-3-2.

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Sobczak, Ronald L., and M. M. Matthews. "An expert system for chemical structure elucidation implemented on a blackboard." In the third international conference. ACM Press, 1990. http://dx.doi.org/10.1145/98784.98801.

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Yeo, E., B. C. Furie, and B. Furie. "PADGEM PROTEIN EXPRESSION IN HUMAN ERYTHROLEUKEMIA (HEL) CELLS." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1643908.

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PADGEM (Platelet Activation-Dependent Granule ⇒ External Membrane) glycoprotein, a platelet alpha granule integral membrane protein with a molecular weight of 140,000, is translocated to the plasma membrane during granule secretion. PADGEM protein is expressed solely on activated platelets, but is not on the surface of resting platelets. Because HEL cells contain platelet alpha granule-like organelles and proteins (e.g. platelet factor 4, von Villebrands factor, β-thromboglobulin) and express certain platelet membrane proteins (e.g. GP IIb/IIIa, GPIb), we evaluated induced and uninduced HEL ce
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Yacob, Abdul Rahim, Zareen Sofia Onn, and Siti Balkiah Ismail. "Structure Elucidation of Sildenafil Analogues Fragmentation by Liquid Chromatograph Tandem Mass Spectrometer." In Annual International Conference on Chemistry, Chemical Engineering and Chemical Process. Global Science & Technology Forum (GSTF), 2013. http://dx.doi.org/10.5176/2301-3761_ccecp.56.

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Reports on the topic "Structure Elucidation by NMR"

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Meirovitch, Hagai. New theoretical approach for elucidating the solution structure of peptides from NMR data. Final report on DOE Grant DE-FG02-97ER62490. Office of Scientific and Technical Information (OSTI), 2002. http://dx.doi.org/10.2172/771251.

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Zilm, K. W. Two dimensional NMR and NMR relaxation studies of coal structure. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/5062669.

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Zilm, K. W. Two dimensional NMR and NMR relaxation studies of coal structure. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/6878918.

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Aghazadeh, Behzad, and Michael K. Rosen. Structure Elucidation of the Rho-GTPhase Activating DH-Homology Domain. Defense Technical Information Center, 2000. http://dx.doi.org/10.21236/ada393361.

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Kurt W. Zilm. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY. Office of Scientific and Technical Information (OSTI), 1998. http://dx.doi.org/10.2172/766406.

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Smith, D. M. Advanced NMR-based techniques for pore structure analysis of coal. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/6746347.

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Smith, D. M. Advanced NMR-based techniques for pore structure analysis of coal. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/6987467.

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Smith, D. M. Advanced NMR-based techniques for pore structure analysis of coal. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/7233131.

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Clare P. Grey. Joint NMR and Diffraction Studies of Catalyst Structure and Binding. Office of Scientific and Technical Information (OSTI), 2012. http://dx.doi.org/10.2172/1037331.

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Smith, D. M. Advanced NMR-based techniques for pore structure analysis of coal. Office of Scientific and Technical Information (OSTI), 1991. http://dx.doi.org/10.2172/5427630.

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