Relevant bibliographies by topics / 13C nmr spectral analysis

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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 '13C nmr spectral analysis'

Author: Grafiati
Published: 5 June 2025
Last updated: 1 August 2025

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Journal articles on the topic "13C nmr spectral analysis"

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Smith, Thomas Brendan, Kamlesh Patel, Haydn Munford, et al. "High-Speed Tracer Analysis of Metabolism (HS-TrAM)." Wellcome Open Research 3 (August 22, 2018): 5. http://dx.doi.org/10.12688/wellcomeopenres.13387.2.

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Tracing the fate of stable isotopically-enriched nutrients is a sophisticated method of describing and quantifying the activity of metabolic pathways. Nuclear Magnetic Resonance (NMR) spectroscopy offers high resolution data in terms of resolving metabolic pathway utilisation. Despite this, NMR spectroscopy is under-utilised due to length of time required to collect the data, quantification requiring multiple samples and complicated analysis. Here we present two techniques, quantitative spectral filters and enhancement of the splitting of 13C signals due to homonuclear 13C,13C or heteronuclear
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Elguero, José, Manuel Gil, Nerea Iza, Carmen Pardo, and Mar Ramos. "FT-IR and 13C-NMR Correlations for Some N-Substituted Azoles and Benzazoles." Applied Spectroscopy 49, no. 8 (1995): 1111–19. http://dx.doi.org/10.1366/0003702953965029.

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The FT-IR (in carbon tetrachloride) and 13C-NMR (in deuterochloroform) spectra of six p-substituted aniline derivatives, as reference compounds, and nine 1- p-aminophenyl-azoles and benzazoles were recorded. The measured spectral parameters from FT-IR were symmetric, vs(NH2), and antisymmetric, vas(NH2), stretching fundamentals and their band intensity ratio, A( vas)/ A( vs), while the corresponding 13C-NMR parameters were C-1 to C-4 chemical shifts of 1- p-aminophenyl carbons. Different IR and 13C-NMR spectral parameters and Hammett constants σp (or σp-) were correlated, and statistic analysi
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Nesic, Milan, and Niko Radulovic. "Assignment of 1H and 13C NMR spectral data of diastereomeric acetals directly from their mixture by spectral simulation." Facta universitatis - series: Physics, Chemistry and Technology 19, no. 2 (2021): 69–79. http://dx.doi.org/10.2298/fupct2102069n.

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Herein, an NMR spectral analysis was performed of a mixture of diastereomeric acetals synthesized from 2-fluorobenzaldehyde and a racemic mixture of 4-methylpentan-2-ol. The simulated 1H- and 13C-NMR spectra of individual diastereomers, as well as their superimposed and summed spectra, were compared with the obtained experimental spectra. Spin simulation of proton signals was particularly useful for the assignment of the aromatic part of the molecules and of the diastereotopic protons of the methylene groups. The isomer NMR spectral data - chemical shifts, coupling constants, HMBC and NOESY in
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Mesilaakso, Markku, Eeva-Liisa Tolppa, and Paula Nousiainen. "Analysis of 1H and 13C{1H} NMR Spectral Parameters of Diphenylchloroarsine, Diphenylcyanoarsine, and 10-Chloro- 5,10-Dihydrophenarsazine: Identification of the Compounds through Reference to Simulated Spectra." Applied Spectroscopy 51, no. 5 (1997): 733–37. http://dx.doi.org/10.1366/0003702971940891.

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The 1H and 13C{1H} nuclear magnetic resonance (NMR) spectra of diphenylchloroarsine, diphenylcyanoarsine, and 10-chloro-5,10-dihydrophenarsazine were recorded from samples prepared in CDCl3, CD2Cl2, and (CD3)2CO. Spectra were analyzed, and detailed 1H NMR spectral parameters were determined by iterative analysis. Simulation of spectra and their use as reference spectra for identification of the compounds under different conditions are discussed.
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Eshimbetov, Alisher, Shahobiddin Adizov, Inderpreet Kaur, and Akhmed Reymov. "Is it possible to differentiate between 2-phenylaminodihydro-1,3-thiazine from 2-phenyliminotetrahydro-1,3-thiazine by spectral methods? New glance to the old problem." European Journal of Chemistry 12, no. 1 (2021): 77–80. http://dx.doi.org/10.5155/eurjchem.12.1.77-80.2068.

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Several studies have reported the presence of amine and imine tautomeric forms for hydrogenated 1,3-thiazine derivatives. However, identification of their tautomeric forms by UV, FTIR and mass-spectral methods does not yield expected results. Here, we report the synthesis of 2-phenylaminodihydro-1,3-thiazine and 2-phenyliminotetrahydro-1,3-thiazine and the analysis of their UV, FTIR and NMR (1H and 13C) spectral data. An identical picture of UV spectra was recorded for both compounds. However, distinctive characteristics were found in the FTIR, 1H and 13C NMR spectra. The C=N band of amine for
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Zhu, Xiaolan, Ya Dai, Changguo Wang, and Lanlan Tan. "Quantitative and Structure Analysis of Cellulose in Tobacco by 13C CP / MAS NMR Spectroscopy." Beiträge zur Tabakforschung International/Contributions to Tobacco Research 27, no. 3 (2016): 126–35. http://dx.doi.org/10.1515/cttr-2016-0014.

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SUMMARY A new method utilizing 13C cross-polarization/magic angle spinning (CP/MAS) nuclear magnetic resonance (NMR) spectra was developed for the simultaneous quantitative determination and structure analysis of tobacco cellulose from hot water or acid detergent extraction. A reference spectrum of tobacco noncellulose components was subtracted from the spectrum of each sample to obtain a subspectrum of the cellulose components. The NMR spectra in combination with spectral fitting were analyzed in detail and some parameters, such as the content of cellulose, crystallinity, allomorph compositio
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Şen, Fatih. "Structure determination, vibrational bands and chemical shift assignments of 3-(4-(3-(2,5-dimethylphenyl)-3-methylcyclobutyl)thiazol-2-yl)-2-(o-tolyl)thiazolidin-4-one: A combined experimental and quantum chemical density-functional theory studies." Macedonian Journal of Chemistry and Chemical Engineering 38, no. 2 (2019): 183. http://dx.doi.org/10.20450/mjcce.2019.1679.

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This paper report is an analysis of the title compound by means of X-ray crystallography, FT-IR, NMR and DFT calculations, in the context of structural and spectral characterization. The crystal and molecular structures of the compound were determined by single-crystal X-ray diffraction (SCXRD). Fourier Transform Infrared (FTIR) spectrum was recorded in the range from 400 cm–1 to 4000 cm–1. The 1H and 13C nuclear magnetic resonance (NMR) spectra were also recorded. DFT calculations were employed to support X-ray molecular geometry and calculate IR and NMR (1H and 13C) spectral bands. The struc
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Sudhalakshmi, J., and D. K. Rajathi. "Material Synthesis, Spectral, Optical and Antimicrobial Activity of Imidazolium Based Aldehydic Ionic Liquids: 1–Ethyl-3-methyl-2-(2-oxo-ethyl)-3H-imidazol-1-ium bromide (I) and 1-butyl-3-methyl-2-(2-oxo-ethyl)-3H-imidazol-1-ium chloride (II)." Journal of Scientific Research 15, no. 3 (2023): 793–806. http://dx.doi.org/10.3329/jsr.v15i3.63522.

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We successfully produced imidazolium aldehydes from imidazolium alcohols for the first time using copper wire and no oxidizing agents. The findings of IR, UV, 1H-NMR, and 13C-NMR spectral examinations all indicated complete Oxidation of the alcohols, which was further demonstrated by those findings. The oxidation technique was used to create the ionic liquids 1-ethyl-3-methyl-2-(2-oxo-ethyl)-3H-imidazol-1-ium; bromide and 1-butyl-3-methyl-2-(2-oxo-ethyl)-3H-imidazol-1-ium; chloride. Using elemental and spectral analyses confirmed the structure of the synthesized compounds (I) and (II). FT-IR a
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Pérez-Trujillo, Míriam, Laura Castañar, Eva Monteagudo, et al. "Simultaneous 1H and 13C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra." Chem. Commun. 50, no. 71 (2014): 10214–17. http://dx.doi.org/10.1039/c4cc04077e.

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NMR enantiodifferentiation studies are greatly improved by the simultaneous determination of accurate <sup>1</sup>H and <sup>13</sup>C chemical shift differences, even smaller than the NMR resonance line width, obtained from the analysis of highly resolved cross-peaks in spectral aliased pure shift (SAPS) HSQC spectra.
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Lia, Frederick, Benjamin Vella, Marion Zammit Mangion, and Claude Farrugia. "Application of 1H and 13C NMR Fingerprinting as a Tool for the Authentication of Maltese Extra Virgin Olive Oil." Foods 9, no. 6 (2020): 689. http://dx.doi.org/10.3390/foods9060689.

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The application of 1H and 13C nuclear magnetic resonance (NMR) in conjunction with chemometric methods was applied for the discrimination and authentication of Maltese extra virgin olive oils (EVOOs). A total of 65 extra virgin olive oil samples, consisting of 30 Maltese and 35 foreign samples, were collected and analysed over four harvest seasons between 2013 and 2016. A preliminary examination of 1H NMR spectra using unsupervised principle component analysis (PCA) models revealed no significant clustering reflecting the geographical origin. In comparison, PCA carried out on 13C NMR spectra r
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Dissertations / Theses on the topic "13C nmr spectral analysis"

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Nam, Anne-Marie. "Contribution de la RMN 13C à l’analyse des huiles végétales, huiles essentielles et résines (Olea europaea, Pinus halepensis et Cedrus atlantica)." Thesis, Corte, 2014. http://www.theses.fr/2014CORT0001/document.

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Les produits issus de la biomasse végétale connaissent depuis quelques années un succès grandissant dans de nombreuses industries (aromathérapie, cosmétique, parfums, etc.). L’objectif de notre étude était, d’une part de contribuer au développement des méthodes d’identification et de quantification des constituants des mélanges naturels par RMN 13C et RMN 1H (par exemple le squalène dans l’huile d’olive), et d’autre part, de contribuer à la caractérisation chimique de deux conifères introduits en Corse, le pin d’Alep (huile essentielle) et le cèdre de l’Atlas (huile essentielle, huile pyrolyti
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Harris, Richard. "Development of NMR methods for conformational analysis of 13C-enriched oligosaccharides." Thesis, University of St Andrews, 1998. http://hdl.handle.net/10023/14226.

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The conformation and dynamics of sialyl Lewisx and related oligosaccharides were investigated using high resolution nuclear magnetic resonance measurements, and molecular dynamics calculations. In order to increase the number of structural parameters for inclusion in the molecular modelling simulations, the oligosacchaiide sialyl Lewisx was chemo-enzymatically synthesised to a high degree of carbon-13 enrichment (< 99%). The incorporation of labelling allows editing of standard homonuclear NMR experiments by the 13C chemical shift, thus overcoming the spectral overlap which plagues carbohydrat
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Kiddle, Graham R. "Development of new NMR techniques for conformational analysis of 13C-enriched oligosaccharides." Thesis, University of St Andrews, 1998. http://hdl.handle.net/10023/14223.

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The three-dimensional conformations of various oligosaccharides have been investigated using high-resolution nuclear magnetic resonance measurements and molecular dynamics calculations. A fundamental problem with such studies is the lack of structural restraints across the glyosidic linkage as well as the short-range nature of these restraints. In this thesis this problem has been addressed by developing new techniques that increase the total number of structural parameters for inclusion in the molecular modelling simulations. The measurement of inter-glycosidic heteronuclear NOEs is described
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Moutzouri, Pinelopi. "New and improved methods for mixture analysis by NMR." Thesis, University of Manchester, 2018. https://www.research.manchester.ac.uk/portal/en/theses/new-and-improved-methods-for-mixture-analysis-by-nmr(d6bad99a-36dd-440b-a7b1-f8243a8ab4a3).html.

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A unique characteristic of NMR is that, unlike other spectroscopic techniques, it separates the excitation of signals from their detection. By manipulating the type of signal excitation used, the chemical information content of a spectrum can be controlled. This versatility has made NMR a powerful and flexible weapon in the analytical arsenal of chemists, not only for the determination of structural, chemical, dynamic, and physical properties of molecules, but also for the analysis of mixtures, since NMR has the ability to study these intact without the need for physical separation. Chapter 1
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Kirby, R. A. (Robert Arnold) Carleton University Dissertation Chemistry. "13C NMR conformational analysis of dicyclohexyl-12, 13 and 14Crown4 ethers and their complexes." Ottawa, 1990.

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Astridge, Mark. "Optimization of a noninteractive algorithm for in vivo NMR spectral analysis." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp04/mq22566.pdf.

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Damjanovic, Marko. "13C NMR of a single molecule magnet: analysis of pseudocontact shifts and residual dipolar couplings." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2013. http://amslaurea.unibo.it/5633/.

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Paramagnetic triple decker complexes of lanthanides are promising Single Molecule Magnets (SMMs), with many potential uses. Some of them show preferable relaxation behavior, which enables the recording of well resolved NMR spectra. These axially symmetric complexes are also strongly magnetically anisotropic, and this property can be described with the axial component of the magnetic susceptibility tensor, χa. For triple decker complexes with phthalocyanine based ligands, the Fermi˗contact contribution is small. Hence, together with the axial symmetry, the experimental chemical shifts in 1H and
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Olsson, Ulrika. "Structural Studies of O-antigen polysaccharides, Synthesis of 13C-labelled Oligosaccharides and Conformational Analysis thereof, using NMR Spectroscopy." Doctoral thesis, Stockholm University, Department of Organic Chemistry, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-7283.

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<p>In order to understand biological processes, to treat and diagnose diseases, find appropriate vaccines and to prevent the outbreak of epidemics, it is essential to obtain more knowledge about carbohydrate structures. This thesis deals with structure and conformation of carbohydrates, analysed by NMR spectroscopy and MD simulations.In the first two papers, the structures of O-antigen polysaccharides (PS) from two different <i>E. coli</i> bacteria were determined using NMR spectroscopy. The O-antigenic PS from <i>E. coli</i> O152 (paper I) consists of branched pentasaccharide repeating units,
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Reynolds, Mark (Mark V. ). Carleton University Dissertation Chemistry. "Conformational analysis of some model crown ethers and analogues via 1H and 13C NMR spectroscopy and X-ray crystallography." Ottawa, 1994.

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Parsons, Helen Michelle. "Optimised spectral processing and lineshape analysis in 2-dimensional J-resolved NMR spectroscopy based metabolomics." Thesis, University of Birmingham, 2010. http://etheses.bham.ac.uk//id/eprint/816/.

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NMR spectroscopy is a primary analytical approach of metabolomics. Although 1D 1H NMR spectroscopy is versatile, highly reproducible and widely used, analysis of complex biological samples yields congested spectra with many overlapping signals. This makes metabolite identification and quantification challenging. 1H J-resolved (JRES) experiments spreads this high signal density into a second dimension, simplifying the spectral analysis. This thesis analyses the approaches and suitability of JRES spectroscopy to analyse metabolomics data. Firstly, the robustness of the JRES experiment is investi
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Books on the topic "13C nmr spectral analysis"

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Rahman, Atta-ur. 13C-NMR of natural products. Plenum, 1992.

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Rahman, Atta-ur. 13C-NMR of natural products. Plenum, 1992.

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Weber, Ursula. NMR spectroscopy: Modern spectral analysis. Wiley-VCH, 1998.

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1928-, Quin Louis D., and Verkade John G. 1935-, eds. Phosphorus-31 NMR spectral properties in compound characterization and structural analysis. VCH, 1994.

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Thiele, Herbert, and Ursula Weber. NMR-Spectroscopy: Modern Spectral Analysis. Wiley & Sons, Incorporated, John, 2008.

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Thiele, Herbert, and Ursula Weber. NMR-Spectroscopy: Modern Spectral Analysis (Spectroscopic Techniques: An Interactive Course). Wiley-VCH, 1998.

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Quin, Louis D., and John G. Verkade. Phosphorus-31 NMR Spectral Properties in Compound Characterization and Structural Analysis. Wiley & Sons, Incorporated, John, 1994.

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Kochetkov, N. K., and N. Kochetkov. New 13C NMR Approaches to the Structural Analysis of Carbohydrates (Soviet Scientific Reviews Series, Section B). Routledge, 1989.

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Tho, Pham Quang, ed. Proton and carbon NMR spectra of polymers. Penton Press, 1991.

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Book chapters on the topic "13C nmr spectral analysis"

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Džeroski, Sašo, Steffen Schulze-Kremer, Karsten R. Heidtke, Karsten Siems, and Dietrich Wettschereck. "Diterpene Structure Elucidation from 13C NMR-Spectra with Machine Learning." In Intelligent Data Analysis in Medicine and Pharmacology. Springer US, 1997. http://dx.doi.org/10.1007/978-1-4615-6059-3_12.

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Endo, Kazunaka, Tomonori Ida, Shingo Simada, and Joseph Vincent Ortiz. "Valence XPS, IR, and Solution 13C NMR Spectral Analysis of Representative Polymers by Quantum Chemical Calculations." In Quantum Systems in Chemistry and Physics. Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-94-007-5297-9_21.

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van Beek, Johannes H. G. M., Tamás Csont, Frans J. J. de Kanter, and Joli Bussemaker. "Simple Model Analysis of 13C NMR Spectra to Measure Oxygen Consumption Using Frozen Tissue Samples." In Oxygen Transport to Tissue XX. Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-4863-8_58.

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Goad, L. John, and Toshihiro Akihisa. "13C NMR spectroscopy of sterols." In Analysis of Sterols. Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-009-1447-6_9.

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Cheng, H. N. "13C NMR Analysis of Polyether Elastomers." In ACS Symposium Series. American Chemical Society, 1992. http://dx.doi.org/10.1021/bk-1992-0496.ch012.

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Egawa, Ayako, Hideo Akutsu, and Toshimichi Fujiwara. "CHAPTER 3. 13C–13C Distance Measurements by Polarization Transfer Matrix Analysis of 13C Spin Diffusion in a Uniformly 13C-Labeled Molecular Complex under Magic Angle Spinning." In New Developments in NMR. Royal Society of Chemistry, 2014. http://dx.doi.org/10.1039/9781782627449-00036.

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Small, Gary W., Scott E. Carpenter, and Malcolm K. Mclntyre. "Computer-Aided Solutions to 13C NMR Spectral Interpretation Problems." In Computer-Enhanced Analytical Spectroscopy. Springer US, 1990. http://dx.doi.org/10.1007/978-1-4684-1312-0_9.

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Carvalho, Rui A., and Ivana Jarak. "Mitochondrial Bioenergetics by 13C–NMR Isotopomer Analysis." In Mitochondrial Bioenergetics. Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-7831-1_13.

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Cheng, H. N. "13C-NMR Analysis of Multicomponent Polymer Systems." In ACS Symposium Series. American Chemical Society, 1989. http://dx.doi.org/10.1021/bk-1989-0404.ch017.

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Roscher, Albrecht, Stéphanie Troufflard, and Abdelghani Idrissi Taghki. "In Vivo NMR for 13C metabolic Flux Analysis." In Plant Metabolic Flux Analysis. Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-688-7_10.

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Conference papers on the topic "13C nmr spectral analysis"

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Kosanović, Marta, Thomas Eichhorn, Dejan Milenković, Goran Kaluđerović, Jasmina Dimitrić Marković, and Dušan Dimić. "Synthesis, spectroscopic, and quantum-chemical analysis of mononuclear Ru(II)-naphthylhydrazine complex." In 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.391k.

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Ruthenium(II) complexes have become increasingly recognized and utilized as potent anticancer agents in recent years. These compounds possess unique capabilities in targeting cancer cells and interfering with vital cellular processes, offering new hope in the relentless battle against cancer. This research study focuses on the characterization of a newly synthesized Ru(II)-naphthylhydrazine complex by IR and NMR spectroscopies. NMR spectral data have revealed the presence of different chemical environments within 1 based on the chemical shifts observed in the 1H and 13C NMR spectra. The infrar
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Atanasković, Ana, Thomas Eichhorn, Dejan Milenković, Dušan Dimić, Goran Kaluđerović, and Jasmina Dimitrić Marković. "Synthesis, spectroscopic, and theoretical analysis of Ru(II)-phenylhydrazine complex." In 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.395a.

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In recent decades, metal-based chemotherapeutics have attracted considerable attention and excitement within the oncology research community, with ruthenium(II) complexes emerging as a particularly promising class of anticancer agents. In this study, the synthesis of a new ruthenium complex was performed, followed by its structural characterization using NMR and IC spectroscopy. The compound’s infrared spectrum reveals characteristic bands corresponding to N-H and C-H stretching vibrations from sp2 and sp3 hybridized carbon atoms, vibrations of aromatic rings and additional vibrations related
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Pangrazzl, J., P. Oreste, G. Torri, A. Maggi, M. B. Donati, and B. Casu. "BLEEDING EFFECTS ASSOCIATED WITH HEPARIN contaminants." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1644177.

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Clinical use of heparin as an antithrombotic drug Is limited by the risk of excessive bleeding, generally ascribed to the anticoagulant activity of this mucopolysaccharide.Unexpectedly, some low molecular weight heparins with reduced anticoagulant activity are reported to cause bleeding in clinical and experimental studies. To approach this problem, a number of heparin preparations with various molecular weights were characterized by analysis of their 13C-NMR spectra. The bleeding potential of the same heparins was tested by measuring the "template" bleeding time (BT, a method exploring the me
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Blaja, Svetlana, Lidia Lungu, Kaleria Kuchkova, Alexandru Ciocarlan, and Aculina Aricu. "Synthesis of new molecular hybrids with phenothiazine fragment from norambreinolide." In Scientific seminar with international participation "New frontiers in natural product chemistry". Institute of Chemistry, Republic of Moldova, 2023. http://dx.doi.org/10.19261/nfnpc.2023.ab10.

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The known phenothiazine derivatives exhibit a wide spectrum of biological activities, including such as antiparasitic, antioxidant, anticancer, antiproliferative, antineoplastic, antimicrobial, etc. [1]. For this reason, terpeno-phenothiazine molecular hybrids represent one of the priority strategies of organic synthesis in the design of new bioactive compounds. Here are reported the results of the synthesis of new homodrimane hybrids with a phenothiazine fragment. Starting from (+)-sclareolide 1 the Δ8,13-bicyclohomofarnesoic acid 2 and 11-homodrim-6(8)-dien-12-oic acid 3 were synthesized in
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Bilan, Dmitri, Sergiu Cojocari, Natalia Sucman, Eughenia Stingaci, and Fliur Macaev. "Transforming the five-membered ring d in a pregnenolone derivative into a six-membered ring through skeletal rearrangement." In Scientific seminar with international participation "New frontiers in natural product chemistry". Institute of Chemistry, Republic of Moldova, 2023. http://dx.doi.org/10.19261/nfnpc.2023.ab22.

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In pursuit of obtaining steroid derivatives containing a triazole moiety in their structure, a series of reactions was conducted (Figure 1). In these reactions, an intermediate compound was the corresponding azide 3, which was subsequently involved in a reaction with the required alkyne to form a 1,2,3-triazole. In click chemistry reactions, it is well-known that catalysts are one-valent copper salts, which can be generated in situ from copper(II) salts. However, the NMR spectra of the main product, isolated from the reaction mass, did not match the expected results.Figure 1. The procedure for
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Mostafavi, Hossein, and Rasul Khandan Bejandi. "Synthesis of Novel 1,3-Indandione Derivatives and Investigation Their Anti-Microbial and Anti-Fungal Activity." In 5th World Conference on Chemistry and Chemical Engineering and 5th World Conference on Advanced Materials, Nanoscience and Nanotechnology. Eurasia Conferences, 2024. https://doi.org/10.62422/978-81-970328-7-5-026.

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1,3 -Indanedione derivatives, which are of wide interest because of their diverse biological and chemical applications. A series of novel 1,3-Indanedione derivatives are synthesized via KNOEVENAGEL condensing reaction mechanism by condensing 1,3-Indanedione with diverse aryl aldehydes using2-hydroxyethyammonium formate as ionic liquid and catalyst. All the synthetic derivatives were fully characterized by spectral analysis data (FT-IR, 1H- 13C-NMR and elemental analysis). This series of 7 compounds were tested for in vitro anti-bacterial activity against Gram- negative Escherichia coli ATCC 25
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Marković, Svetlana, and Jelena Tošović. "CHLOROGENIC ACID – APPLICATION OF CONTEMPORARY DENSITY FUNCTIONALS TO A SINGLE MOLECULE." In 1st INTERNATIONAL Conference on Chemo and BioInformatics. Institute for Information Technologies, University of Kragujevac,, 2021. http://dx.doi.org/10.46793/iccbi21.081m.

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Although chlorogenic acid (5-O-caffeoylquinic acid, 5CQA) is a dietary phenol known for its pharmacological and nutritional properties, its structural features and mechanisms of oxidative action have not been completely elucidated. Clarification of the 5CQA structure was conducted by comparing the experimental and simulated IR, Raman, 1H-NMR, 13C-NMR, and UV spectra. For this purpose, a comprehensive conformational analysis of 5CQA was performed to reveal its most stable conformations in the gas-state and solution. Excellent agreement between all experimental and simulated spectra indicates co
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Kobryn, Lesya, Volodymyr Mizyuk, and Volodymyr Shibanov. "Dependence of Spectral Parameters in 1H and 13C NMR Spectra of Aromatic Compounds Upon Substituent Spatial-Structural Peculiarities." In The 12th International Electronic Conference on Synthetic Organic Chemistry. MDPI, 2008. http://dx.doi.org/10.3390/ecsoc-12-01232.

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Chow, J. L., K. N. Levitt, and G. J. Kost. "Biological NMR spectral analysis by an expert system." In Proceedings of the Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE, 1988. http://dx.doi.org/10.1109/iembs.1988.95186.

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Kubo, Tetsuro, Hideki Tou, Ryoma Miyake, et al. "27Al-NMR/NQR Spectral Analysis of Single Crystal PrTa2Al20." In Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2019). Journal of the Physical Society of Japan, 2020. http://dx.doi.org/10.7566/jpscp.30.011158.

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Reports on the topic "13C nmr spectral analysis"

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Miknis, F. P., Z. S. Jiao, Hanqing Zhao, and R. C. Surdam. Solid state 13C NMR analysis of shales and coals from Laramide Basins. Final report, March 1, 1995--March 31, 1996. Office of Scientific and Technical Information (OSTI), 1998. http://dx.doi.org/10.2172/565270.

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Joel, Daniel M., John C. Steffens, and Alfred M. Mayer. Host-Elicited Germination and Mechanism of Penetration in Broomrape (Orobanche Spp.). United States Department of Agriculture, 1993. http://dx.doi.org/10.32747/1993.7568107.bard.

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Abstract:
Orobanche is an important parasitic weed. For developing novel methods for its control, a thorough understanding of crucial stages of its development is needed. Therefore, the objectives of this project were characterization of Orobanche germination stimulants, analysis of mechanisms of haustorial penetration, and characterization and isolation of penetration enzymes. The first highly potent natural germination stimulant for Orobanche was isolated from sunflower and identified by high-field 1D (1H and 13C), 2D (1H-1H COSY, HMQC, HMBC)-NMR, GC.FT-IR, and GC.MS as costuslactone, a guaiane type s
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