Relevant bibliographies by topics / 13C NMR spectrum

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Academic literature on the topic '13C NMR spectrum'

Author: Grafiati
Published: 5 June 2025
Last updated: 15 July 2025

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Journal articles on the topic "13C NMR spectrum"

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Buchanan, G. W., A. B. Driega, A. Moghimi, C. Bensimon, and K. Bourque. "cis-Cyclohexano-9-crown-3 ether. Solid state and low-temperature solution stereochemistry as determined by X-ray crystallography and nuclear magnetic resonance spectroscopy." Canadian Journal of Chemistry 71, no. 7 (1993): 951–59. http://dx.doi.org/10.1139/v93-127.

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The X-ray crystal structure of the title material has been determined at −130 °C. Low-temperature 1H1H COSY, 13C1H HETCOR, and DEPT 13C NMR spectra have been recorded, which permit unambiguous assignments of all carbon resonances when ring inversion is slow on the NMR timescale. The limiting low-temperature solution phase 13C spectrum has many common features with the solid phase 13C CPMAS spectrum recorded at 300 K. Spectra for the 7,10-tetra-deuterio derivative have also been obtained and substituent influences on 13C shieldings are discussed in detail.
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Saito, Takayuki, Seiichi Kawahara, and Yoshito Ohtake. "ASSIGNMENT OF NMR SIGNALS FOR CHLOROPRENE RUBBER BY TWO-DIMENSIONAL NMR SPECTROSCOPY." Rubber Chemistry and Technology 86, no. 2 (2013): 250–60. http://dx.doi.org/10.5254/rct.13.87981.

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ABSTRACT Various pulse techniques of NMR spectroscopy were applied to CR to assign some small signals in 13C and 1H NMR spectra for the rubber. First, the rubber was subjected to distortionless enhancement by polarization transfer and attached proton test. The small signals in the 13C NMR spectrum were assigned to secondary, tertiary, and quaternary carbons. Second, correlations between 13C and 1H were investigated by heteronuclear multiple quantum correlation, heteronuclear two bond correlation, and heteronuclear multiple bond correlation measurements to assign the small signals in the 13C NMR spectrum in detail. By using the resulting correlations between 13C and 1H, the small unassigned signals in 1H NMR spectrum were assigned to methylene and methine protons of the rubber.
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JURS, P. C., J. W. BALL, L. S. ANKER, and T. L. FRIEDMAN. "ChemInform Abstract: 13C NMR Spectrum Simulation." ChemInform 23, no. 47 (2010): no. http://dx.doi.org/10.1002/chin.199247272.

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Elguero, José, Alain Fruchier, María Luisa Jimeno, and Pedro Molina. "An Experimental Study of the 4hJ(31P–31P) Coupling Constant and the 12C/13C Isotope Effect on 31P in an Iminophosphorane-Substituted Proton Sponge." Journal of Chemical Research 2002, no. 1 (2002): 34–36. http://dx.doi.org/10.1177/1747519802200200103.

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The 13C NMR spectra of the bromide of the protonated iminophosphorane -substituted sponge 7 were recorded at different fields. Together with the use of 13C satellites of the 31P NMR spectrum, these experiments allow determination of a reasonable set of chemical shifts and coupling constants. The most interesting are a 4h JPP = 1.6 Hz, determined directly from the 31P NMR spectrum, which probably involves the hydrogen bond, and a 2Δ31P(13C) isotope shift of 9 ppb.
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ARSHAD, M. A., J. A. RIPMEESTER, and M. SCHNITZER. "ATTEMPTS TO IMPROVE SOLID STATE 13C NMR SPECTRA OF WHOLE MINERAL SOILS." Canadian Journal of Soil Science 68, no. 3 (1988): 593–602. http://dx.doi.org/10.4141/cjss88-057.

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This study describes a number of different preparation techniques for recording solid state 13C NMR spectra of whole mineral soils. Removal of paramagnetic Fe3+ improves the quality of 13C NMR spectra of whole soils and of particle size fractions. The C:Fe ratio appears to be an important indicator for obtaining satisfactory 13C NMR spectra of whole soils and fractions separated from them. If the C:Fe ratio is >> 1, the quality of the spectrum will be good; if the ratio is > 1, a reasonable spectrum will be obtained, but if the ratio is < 1, the spectrum will be poor. Organic-matter-rich soil and particle size fractions separated by a flotation technique produce well-defined 13C NMR spectra, typical of humic materials. Reduction of C-enriched fractions with sodium dithionite and stannous chloride improves the spectral resolution. The data presented herein show that satisfactory solid state 13C NMR spectra can be run on untreated soil particle size fractions, non-magnetic portions of whole soils, and fractions enriched in soil organic matter by flotation, especially after chemical reduction. Key words: 13C NMR spectroscopy, paramagnetic mineral separation
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Aoki, Dan, Kenta Nomura, Masashi Hashiura, et al. "Evaluation of ring-5 structures of guaiacyl lignin in Ginkgo biloba L. using solid- and liquid-state 13C NMR difference spectroscopy." Holzforschung 73, no. 12 (2019): 1083–92. http://dx.doi.org/10.1515/hf-2019-0011.

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Abstract To discuss the macromolecular structure and properties of lignin, the complementary use of solid- and liquid-state nuclear magnetic resonance (NMR) combined with a specific 13C-enrichment technique may provide useful information. The 13C-enriched lignin was prepared by administering [guaiacyl ring-5(G5)-13C]-coniferin to a growing Ginkgo biloba L. shoot. The 13C-enriched cellulolytic enzyme lignin (EL) and its acetate prepared from the ginkgo shoot were examined by solid- and liquid-state 13C NMR spectroscopy. The 13C NMR spectrum derived only from the G5 carbon was obtained as a difference spectrum based on the spectra of the G5-13C enriched and un-enriched (UE) samples. The condensed structures, including the enriched G5-carbon, were evaluated using difference spectra. The chemical shifts of the enriched G5 carbon in both the solid- and liquid-state 13C NMR spectra agreed with each other in principle. The quantitative ratio of the condensed and uncondensed structures at G5 was found to be larger by solid-state cross polarization/magic angle spinning (CP/MAS) NMR than by liquid-state NMR.
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Robinson, Alastair, Peter Richardson, and Meghan Halse. "Hyperpolarised 1H–13C Benchtop NMR Spectroscopy." Applied Sciences 9, no. 6 (2019): 1173. http://dx.doi.org/10.3390/app9061173.

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Benchtop NMR spectrometers with sub-ppm spectral resolution have opened up new opportunities for performing NMR outside of the standard laboratory environment. However, the relatively weak magnetic fields of these devices (1–2 T) results in low sensitivity and significant peak overlap in 1H NMR spectra. Here, we use hyperpolarised 13C{1H} NMR to overcome these challenges. Specifically, we demonstrate the use of the signal amplification by reversible exchange (SABRE) parahydrogen-based hyperpolarisation technique to enhance the sensitivity of natural abundance 1D and 2D 13C{1H} benchtop NMR spectra. We compare two detection methods for SABRE-enhanced 13C NMR and observe an optimal 13C{1H} signal-to-noise ratio (SNR) for a refocused INEPT approach, where hyperpolarisation is transferred from 1H to 13C. In addition, we exemplify SABRE-enhanced 2D 13C benchtop NMR through the acquisition of a 2D HETCOR spectrum of 260 mM of 4-methylpyridine at natural isotopic abundance in a total experiment time of 69 min. In theory, signal averaging for over 300 days would be required to achieve a comparable SNR for a thermally polarised benchtop NMR spectrum acquired of a sample of the same concentration at natural abundance.
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Orendt, Anita M., Julio C. Facelli, Juliusz G. Radziszewski, W. James Horton, David M. Grant, and Josef Michl. "13C Dipolar NMR Spectrum of Matrix-Isolatedo-Benzyne-1,2-13C2." Journal of the American Chemical Society 118, no. 4 (1996): 846–52. http://dx.doi.org/10.1021/ja953417r.

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Uhrín, Dušan, A. V. Krishna Prasad, Jean-Robert Brisson, and David R. Bundle. "Carbohydrate-antibody interactions by NMR for a 13C-labelled disaccharide ligand." Canadian Journal of Chemistry 80, no. 8 (2002): 904–7. http://dx.doi.org/10.1139/v02-063.

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Incorporation of a 13C label into a carbohydrate ligand, methyl 3-O-(3,6-dideoxy-α-D-xylohexopyranosyl)-2-O-methyl-α-D-mannopyranoside permitted by NMR spectroscopy the study of its binding to the Fab from a monoclonal antibody, Se 155-4. The signals of the free and bound form were observed in the 13C spectrum of the carbohydrate-protein complex. The dissociation rate constants were consequently determined by full lineshape analysis of the 13C spectrum. Comparison with simplified analyses relying only on the linewidth of the 1H and 13C signals of the free ligand were made and the justifications of underlying assumptions used in these analyses were discussed. For 1H NMR, the protein resonances were purged with a 13C filter to observe only the ligand resonances and NOEs between the ligand and the protein.Key words: carbohydrate, binding, NMR, C-13 label, chemical exchange.
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Takeuchi, Yoshito, Yoko Imafuku, and Miki Nishikawa. "Reassignment of the 13C NMR spectrum of minomycin." Arkivoc 2003, no. 15 (2003): 39–46. http://dx.doi.org/10.3998/ark.5550190.0004.f06.

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Dissertations / Theses on the topic "13C NMR spectrum"

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Dejean, de La Batie Rémi. "Etude des mouvements moléculaires dans les polymères en masse par résonance magnétique nucléaire du 13c et simulation de Monte-Carlo." Paris 6, 1986. http://www.theses.fr/1986PA066284.

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Etude des mouvements locaux dans le polyvinylmethylether, le polybutadiene-1,4cis et le polyisoprene-1,4cis, le polyisobutène, les polyéthers en masse; polyoxypropylène et réseaux de polyoxyéthylène, influence de la microstructure sur les mouvements moléculaires locaux. Etude de la transition vitreuse dans les polymères en masse par simulation de Monte-Carlo dynamique; simulation de systemes de polymères places dans le réseau tétraédrique et simulation de systemes de sphères libres et de systemes de polymères en milieu continu.
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Schahl, Adrien. "Interactions polysaccharides-lipides : étude théorique et expérimentale combinant calculs de dynamique moléculaire, calculs quantiques de spectres RMN 13C et RMN 13C à l'état solide." Thesis, Toulouse 3, 2020. http://www.theses.fr/2020TOU30178.

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Les interactions entre polysaccharides et lipides forment aujourd'hui un vaste domaine d'étude, présentant notamment un intérêt particulier pour les industries alimentaires et pharmaceutiques. Nous savons que l'amylose, un polysaccharide composé de résidus glucose branchés en [apha 1→4] essentiellement linéaire, peut encapsuler de petites molécules hydrophobes formant ce qu'on appelle un polymorphe V. L'étude de ce type de complexes pourrait permettre de développer de nouvelles voies de formulations de substances bioactives ou de nouveaux adjuvants de vaccins. Ce type d'interactions pourraient aussi être présentes dans d'autres systèmes biologiques, tels que dans la capsule de Mycobacterium tuberculosis. En effet, cette couche externe enveloppant le bacille contient majoritairement un polysaccharide ramifié analogue à l'amylose appelé alpha-glucane mais aussi de multiples lipides connus comme étant des facteurs de virulence de cette mycobactérie, tels que les dimycocérosates de phthiocérol ou les dimycolates de tréhalose. La mise en évidence et l'analyse de ce type d'interaction pourrait permettre de comprendre l'organisation de cette capsule et d'en savoir plus sur ses fonctions biologiques. Ce manuscrit présente une étude mêlant méthodes théoriques et expérimentales de caractérisation des interactions au sein de complexes d'amylose en présence de lipides "classiques" ou mycobactériens ainsi que de systèmes comprenant des polysaccharides ramifiés. La première partie de ce manuscrit présente deux études purement théoriques portant sur des complexes d'amylose en présence d'acide palmitique et de doubles hélices d'amylose appelées polymorphe B. En utilisant une méthodologie couplant dynamique moléculaire (MD) et calculs de paramètres RMN par DFT, nous avons pu caractériser le nombre minimum de résidus glucose nécessaires pour former de manière stable le polymorphe V autour de l'acide palmitique. Nous avons pu aussi démontrer l'impact de la longueur du polymère sur le calcul de paramètre RMN et qu'il était crucial d'introduire le caractère dynamique de ces polymorphes afin d'obtenir des résultats en accord avec l'expérience. Concernant le polymorphe B, nous avons pu montrer qu'il était nécessaire de prendre en compte les conditions périodiques du système afin de pouvoir différencier deux types de résidu au sein de la double hélice, comme cela est observé expérimentalement sur des échantillons cristallins.[...]<br>Polysaccharide-lipid interactions now form a vast domain of study, of particular interest to the pharmaceutical and food industries. We already know that amylose, an essentially linear polysaccharide composed of [alpha 1→4]-linked glucose moieties, can form helices around small hydrophobic molecules and lipidic chains. These helical structures are called V polymorphs and their study may allow the development of new ways to deliver bioactive compounds, or of new vaccine adjuvants. This type of interaction might also be found in other biological systems, such as in the capsule of Mycobacterium tuberculosis. Indeed, this external layer covering the bacillus is composed mostly of a large branched polysaccharide analogous to amylose, called alpha-glucan, but it also contains numerous lipids, such as phtiocerol dimycocerosates or trehalose dimycolates, known to be virulence factors of the mycobacterium. Demonstration of the existence of such interactions and their study may lead to a better understanding of the capsule and its biological functions. This manuscript describes a study combining theoretical and experimental methods to characterize the interactions amongst amylose complexes formed in the presence of classical and mycobacterial lipids and in systems composed of branched polysaccharides. The first part of this work describes two purely theoretical studies on amylose complexed with palmitic acid and on amylose double helices called B polymorphs. Using molecular dynamics (MD) simulations and calculations of Nuclear Magnetic Resonance (NMR) parameters at the Density Functional Theory (DFT) level, we were able to define the minimum number of glucose residues needed to former a stable V polymorph around a palmitic acid molecule. We could also show that the number of residues has a direct impact on the calculation of NMR parameters and that it is crucial to consider the dynamic behavior of these polymers to obtain results that fit well to experimental data. Regarding the B polymorph, we showed that it is essential/necessary to consider the periodic conditions of the system to be able to characterize two different residue positions, as has been observed experimentally. To the best of our knowledge, no V polymorph has been characterized in the presence of lipids composed of several lipidic chains. The second part of this manuscript describes several such complexes, formed in the presence of classical and mycobacterial lipids composed of 1, 2 or 4 lipidic chains, and their analysis by solid-state NMR. We elaborated a model describing the different equilibria implicated in the complexation process and could demonstrate that the primary structure of the lipids was one of the key factors. [...]
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Portieri, Alessia. "Solid state NMR of sulfa-drugs." Thesis, Durham University, 2001. http://etheses.dur.ac.uk/3781/.

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This work has been a study of systems, mostly of sulfa-drugs, showing polymorphic behaviour. Using different means as solid state NMR, X-ray analysis, and theoretical calculations, we have seen how it is possible to understand results obtained from the different techniques, proving how the study of polymorphic systems needs cooperative advice from the different techniques that are able to detect polymorphic differences. Within the sulfa-drugs I have been mostly concentrating on sulfanilamide, studying (^13)C and (^15)N solid state NMR spectra of the different polymorphs. The NMR parameters that have been most interesting to study, have been the relaxation times that have revealed complicated motion of the molecule despite it being a small molecule. In order to obtain detailed information from (^15)N spectra it has been necessary to enrich the samples and this has enabled a study of the shielding tensors of the nitrogens in the molecule. (^13)C spectra were also recorded of systems studied sulfathiazole solvates that proved to show some of the same solid state effects in the NMR spectra as sulfanilamide. Shielding calculations have proved to be still limited in order to obtain reliable information on the shielding of both and (^13)C (^15)N nuclei but considering hydrogen-bonded molecules, as opposed to isolated molecules, seemed to have improved the calculations quite a lot, so that some idea of intermolecular effects could be deducted. Exact positions of the hydrogen has proved to be essential as well in order to improve the calculations. Finally a case study for the REDOR pulse sequence has been carried out. Different attempts to understand the effects influencing this particular experiment have been carried out on 20% and 99% doubly enriched glycine, as well as on a particular sample, doubly enriched BRL55834, but the internuclear distances measured with this technique still displayed some uncertainties that made results not thoroughly reliable.
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Cantalapiedra, Nuria Aboitiz. "Intramolecular hydrogen-bonding studies by NMR spectroscopy." Thesis, University of Liverpool, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.366715.

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Simon, Bernd. "Structure determination of the active center in the integral membrane protein bacteriorhodopsin and development of methods for calculating the effect of pulsed field gradients on high resolution NMR spectra." [S.l. : s.n.], 2000. http://www.diss.fu-berlin.de/2000/134/index.html.

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Piecuch, Scott. "A Fast NIR Spectrometer for Examining Explosive Events: Emission of PETN Based Explosives and H₂O Absorption Method Feasibility." [Milwaukee, Wis.] : e-Publications@Marquette, 2009. http://epublications.marquette.edu/theses_open/13.

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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 pyrolytique et résine).La première partie concerne la quantification du squalène présent dans l’huile d’olive. En effet, ce triterpène linéaire participe à la stabilité oxydative de l’huile d’olive et joue un rôle important dans la réduction des risques de certains cancers. Il s’agissait de mettre au point un protocole expérimental basé sur la RMN 1H ou 13C en utilisant un appareil de routine (9,4 Tesla). La quantification par RMN 13C s’est avérée fiable et elle a été appliquée à la quantification du squalène dans 25 échantillons d’huile d’olive de Corse.La seconde partie de nos travaux concerne la caractérisation chimique de l’huile essentielle de pin d’Alep introduit dans trois stations de Corse (Capo di Feno, Saleccia et Tre Padule de Suartone). L’analyse détaillée de l’huile essentielle de cônes, par combinaison des techniques chromatographiques et spectroscopiques, a permis d’identifier 48 composés. La composition chimique est largement dominée par les monoterpènes (Alpha-pinène et myrcène) et un sesquiterpène oléfinique ((E)-Béta-caryophyllène). La RMN 13C a permis d’identifier divers diterpènes, dont le 8,12-époxy-14-labdèn-13-ol. Ce composé est décrit pour la première fois dans l’huile essentielle de pin d’Alep. L’analyse de 15 échantillons d’huile essentielle de cônes a mis en évidence trois types de compositions : Alpha-pinène ; myrcène ; Alpha-pinène/myrcène. Enfin, l’analyse de 47 échantillons d’huile essentielle d’aiguilles, associée à un traitement statistique des données (ACP, AFD), a permis de mettre en évidence une variabilité chimique intraspécifique. Ainsi, les échantillons se répartissent en trois groupes selon leur teneur en (E)-Béta-caryophyllène (groupe I), en E-Béta-caryophyllène/Alpha-pinène/myrcène (groupe II) et en myrcène (groupe III).La dernière partie a été consacrée à l’étude de Cedrus atlantica. L’analyse détaillée d’une huile essentielle commerciale (du Maroc) a permis d’identifier 20 constituants, les composés majoritaires sont les Alpha-, Béta- et Gamma-himachalène. Par ailleurs, 7 composés absents de notre bibliothèque de données spectrales ont été identifiés par RMN 13C. Les compositions chimiques des huiles pyrolytiques artisanales du Maroc sont également dominées par les himachalènes et la (E)-Alpha-atlantone. Enfin, nous avons réalisé l’analyse qualitative et quantitative par RMN 13C, sans séparation préalable, de 28 échantillons de résine de C. atlantica récoltés dans les 5 forêts de Corse référencées par l’ONF (Bavella, Bonifato, Ospedale, Pineta et Vizzavona). A côté des acides résiniques, nous avons également identifié 3 lignanes (pinorésinol, laricirésinol et 9-acétate de laricirésinol). Pour l’ensemble de ces composés, nous avons mis en évidence trois types chimiques. Enfin, nous avons mis au point et validé un protocole expérimental de quantification des lignanes par RMN 1H<br>Natural products isolated from plants acquired, in recent years, a growing success in many industries (aromatherapy, cosmetic, perfumes). The objective of our study was to contribute, on the one hand, to the development of methods involving 13C and 1H NMR for the identification and quantification of the components of natural mixtures, and on the other hand, to the chemical characterization of two conifers brought to Corsica, Aleppo pine (essential oil) and atlas cedar (essential oil, pyrolysis oil and resins).The first part concerned the quantification of squalene present in olive oil. Indeed, linear triterpene participated in the oxidative stability of olive oil and play an important role by decreasing some kind of cancers risks. It’s deal with to elaborate an experimental part based on NMR 1H and 13C by using routine apparatus (9.4 Tesla). Quantification by NMR 13C is reliable and have been applied to squalene quantification in 25 samples of Corsican olive oil.The second part of our work concerned the chemical characterization of the essential oil of Aleppo pine brought to Corsica in three different stations (Capo di Feno, Saleccia and Tre Padule de Suartone). A detailed analysis of cone essential oil, using the combination of chromatographic and spectroscopic techniques, leads to the identification of 48 compounds. Chemical composition is extensively dominated by monoterpens (Alpha-pinene and myrcene) and one olefinic sesquiterpen ((E)-Béta-caryophyllene). 13C NMR allowed to the identification of various diterpens, particularly the 8,12-epoxy-14-labden-13-ol. This compound is described for the first time in aleppo pine essential oil. Fifteen samples of cone essential oil were analysed allowing differentiating three kinds of compositions: Alpha-pinene; myrcene; Alpha-pinene/myrcene. Finally, analysis of 47 samples of needles essential oil, associated with statistical treatment of the results (PCA and PFA), suggested the occurrence of an intraspecific chemical variability. Samples are divided into three groups, based on their high contents in (E)-Béta-caryophyllene (groupe I), in (E)-Béta-caryophyllene/Alpha-pinene/myrcene (groupe II) and in myrcene (groupe III).The last part concerned the study of Cedrus atlantica. A detailed analysis of commercial essential oil leads to the identification of 20 constituents. Main compounds are Alpha-, Béta- and Gamma-himachalene. Moreover, seven compounds, not yet referenced in our home-made NMR spectral data library, were identified by NMR 13C. Chemical compositions of handwork pyrolysis oils from Morocco were also dominated by the himachalene’s and (E)--atlantone. Qualitative and quantitative analysis of 28 samples of Cedrus atlantica resins, obtained from the five Corsican forests referenced by the Office National des Forêts of Corsica (Bavella, Bonifato, Ospedale, Pineta and Vizzavona) have been done, without any step of chromatography. Beside resinic acids, we have been identified three lignans (pinoresinol, lariciresinol and lariciresinol-9-acetate). Qualitative and quantitative analysis of these compounds, leads to the occurrence of three types of chemical composition. Finally, we have developed and validated a method for quantification of lignans by 1H NMR
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Campbell, Susan Christina. "Pharmaceutical polymorphism : an investigation using solid-state nuclear magnetic resonance spectroscopy." Thesis, Durham University, 1998. http://etheses.dur.ac.uk/5021/.

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The study of two pharmaceutically active systems that each display polymorphism has provided a platform upon which to develop and apply solid-state NMR techniques in order to increase the understanding of the solid-state structure of small organic molecules. The multidisciplinary approach adopted has highlighted the advantages of solid-state NMR as a non-invasive probe of molecular conformation and crystallographic packing.Carbon-13 CP/MAS spectra of the two polymorphs of BRL55834 - a fluorinated benzopyran derivative - immediately suggest the presence of one and three molecules in the asymmetric unit. A lack of crystals suitable for single-crystal XRD has catalysed the application of high-power powder X-ray diffraction studies. Subsequent attempts at structure solution using Genetic Algorithm techniques are showing preliminary results that reinforce predictions made from solid-state NMR. Novel triple-channel techniques have aided assignment and resolution of die complex (^13)C CP/MAS spectra. Enrichment of the (^15)N site appears to have resulted in the formation of a new polymorph. Techniques for the analysis of detection Units have been developed using solid-state Raman spectroscopy and chemometric analysis. The aminoxanthine derivative, BRL61063, provides interesting inter-form variations in molecular disorder, solid-state packing, and hydrogen bonding. A previously basic understanding of the single-crystal XRD data has been further evaluated through the course of this Ph.D. and solid-state NMR spectral editing techniques have been developed and applied to identify these phenomena. Recrystallisation studies have produced two samples that appear to exist in an intermediate state between the rigid and mobile structural limits. Temperature variation causes interesting changes in the relaxation characteristics and natural abundance (^15)N and (^13)C CP/MAS spectra. Residual dipolar coupling effects vary in their manifestation within the (^13)C CP/MAS spectra of the polymorphic systems studied and comparison with the literature yields important information regarding molecular conformation. Nitrogen-15 enrichment and operation at higher magnetic field have been applied to reduce these second order effects. Finally, some distance has been travelled along the path towards decoupling (^14)N. Future development of this technique holds potential for resolution enhancement in the solid state spectra of most naturally occurring, nitrogen-containing molecules.
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Onchoke, Kefa Karimu. "Experimental and theoretical studies of nitrated polycyclic aromatic hydrocarbons." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1143220534.

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Kouloura, Eirini. "Phytochemical investigation of Acronychia species using NMR and LC-MS based dereplication and metabolomics approaches." Thesis, Paris 5, 2014. http://www.theses.fr/2014PA05P636/document.

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Les plantes médicinales constituent une source inexhaustible de composés (des produits naturels - PN) utilisé en médecine pour la prévention et le traitement de diverses maladies. L'introduction de nouvelles technologies et méthodes dans le domaine de la chimie des produits naturels a permis le développement de méthodes ‘high throughput’ pour la détermination de la composition chimique des extraits de plantes, l'évaluation de leurs propriétés et l'exploration de leur potentiel en tant que candidats médicaments. Dernièrement, la métabolomique, une approche intégrée incorporant les avantages des technologies d'analyse moderne et la puissance de la bioinformatique s’est révélé un outil efficace dans la biologie des systèmes. En particulier, l'application de la métabolomique pour la découverte de nouveaux composés bioactifs constitue un domaine émergent dans la chimie des produits naturels. Dans ce contexte, le genre Acronychia de la famille des Rutaceae a été choisi sur la base de son usage en médecine traditionnelle pour ses propriétés antimicrobienne, antipyrétique, antispasmodique et anti-inflammatoire. Nombre de méthodes chromatographiques modernes, spectrométriques et spectroscopiques sont utilisées pour l'exploration de leur contenu en métabolites suivant trois axes principaux constituant les trois chapitres de cette thèse. En bref, le premier chapitre décrit l’étude phytochimique d’Acronychia pedunculata, l’identification des métabolites secondaires contenus dans cette espèce et l'évaluation de leurs propriétés biologiques. Le deuxième chapitre vise au développement de méthodes analytiques pour l'identification des dimères d’acétophénones (marqueurs chimiotaxonomiques du genre) et aux stratégies utilisées pour la déréplication de ces différents extraits et la caractérisation chimique des composés par UHPLC-HRMSn. Le troisième chapitre se concentre sur l'application de méthodologies métabolomique (RMN et LC-MS) pour l'analyse comparative (entre les différentes espèces, origines, organes), pour des études chimiotaxonomiques (entre les espèces) et pour la corrélation des composés contenus avec une activité pharmacologique<br>Medicinal plants constitute an unfailing source of compounds (natural products – NPs) utilised in medicine for the prevention and treatment of various deceases. The introduction of new technologies and methods in the field of natural products chemistry enabled the development of high throughput methodologies for the chemical composition determination of plant extracts, evaluation of their properties and the exploration of their potentials as drug candidates. Lately, metabolomics, an integrated approach incorporating the advantages of modern analytical technologies and the power of bioinformatics has been proven an efficient tool in systems biology. In particular, the application of metabolomics for the discovery of new bioactive compounds constitutes an emerging field in natural products chemistry. In this context, Acronychia genus of Rutaceae family was selected based on its well-known traditional use as antimicrobial, antipyretic, antispasmodic and anti-inflammatory therapeutic agent. Modern chromatographic, spectrometric and spectroscopic methods were utilised for the exploration of their metabolite content following three basic axes constituting the three chapters of this thesis. Briefly, the first chapter describes the phytochemical investigation of Acronychia pedunculata, the identification of secondary metabolites contained in this species and evaluation of their biological properties. The second chapter refers to the development of analytical methods for the identification of acetophenones (chemotaxonomic markers of the genus) and to the dereplication strategies for the chemical characterisation of extracts by UHPLC-HRMSn. The third chapter focuses on the application of metabolomic methodologies (LC-MS &amp; NMR) for comparative analysis (between different species, origins, organs), chemotaxonomic studies (between species) and compound-activity correlations
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Books on the topic "13C NMR spectrum"

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J, Pouchert Charles, Behnke Jacqlynn, and Aldrich Chemical Company, eds. The Aldrich library of 13C and 1H FT NMR spectra. Aldrich Chemical Co., 1993.

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Wehrli, F. W. Interpretation of carbon-13 NMR spectra. 2nd ed. Wiley, 1988.

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Born, R., and H. W. Spiess. Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers. Springer Berlin Heidelberg, 1997. http://dx.doi.org/10.1007/978-3-642-60644-1.

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Breitmaier, E. Carbon-13 NMR spectroscopy: High-resolution methods and applications in organic chemistry and biochemistry. 3rd ed. VCH Publishers, 1987.

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Spiess, H. W., R. Born, and J. Seelig. Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers. Springer London, Limited, 2012.

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Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers. Springer, 2012.

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

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Seco, Josi M., Emilio Quiqoa, and Ricardo Riguera. The Assignment of the Absolute Configuration by NMR using Chiral Derivatizing Agents. Oxford University Press, 2015. http://dx.doi.org/10.1093/oso/9780199996803.001.0001.

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Nuclear magnetic resonance spectroscopy (NMR spectroscopy) is a research technique that uses the magnetic properties of atomic nuclei to determine physical and chemical properties of atoms or the molecules in which they are contained. Proton NMR (1H NMR) is a technique that applies NMR spectroscopy specifically to the hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of that substance's molecules. The use of 1H NMR for the assignment of absolute configuration of organic compounds is a well-established technique. Recent research describes the technique's application to mono-, bi- and trifunctional compounds. In addition, several new auxiliary reagents, mono- and biderivatization procedures, on-resin methodologies and more recently, the use of 13C NMR, have been introduced to the field. In The Assignment of the Absolute Configuration by NMR Using Chiral Derivatizing Agents: A Practical Guide, eminent Professor of Organic Chemistry Ricardo Riguera organizes this cutting-edge NMR research. Professor Riguera offers a short and usable guide that introduces the reader to the research with a plethora of details and examples. The book briefly explains the theoretical aspects necessary for understanding the methodology, dedicating most of its space to covering the practical aspects of the assignment, with examples and spectra taken from the authors' own experiments. Upper-level undergraduates, graduate students, and chemical researchers will find this guide useful for their studies and practice.
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PUBLICATIONS, Ukchem. Complete Solvent Handbook: 1H and 13C NMR Spectra for over 90 Solvents. Complete with Physical Data and CAS Numbers, and Various Charts Such As Solvent Miscibilty, Polarity, Density, Boiling Points. Perfect for Identifying NMR Solvent Peaks Etc. Independently Published, 2019.

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Book chapters on the topic "13C NMR spectrum"

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Cheng, H. N., and M. A. Bennett. "13C NMR Spectra of Polyolefins." In Advances in Polyolefins. Springer US, 1987. http://dx.doi.org/10.1007/978-1-4757-9095-5_29.

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Val’ba, O. V., E. M. Anokhin, A. V. Maksimychev, A. Michtchenko, D. V. Schur, and Yu M. Shulga. "The Temperature Dependence of Chemical Shifts of Individual Peaks in the 13C NMR Spectrum of the Fullerite C60, Doped with Molecular Oxygen." In Carbon Nanomaterials in Clean Energy Hydrogen Systems - II. Springer Netherlands, 2011. http://dx.doi.org/10.1007/978-94-007-0899-0_12.

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Seto, Haruo, and Noboru Ōtake. "13C NMR Spectra of Polyether Antibiotics." In Polyether Antibiotics. CRC Press, 2023. http://dx.doi.org/10.1201/9781003418085-6.

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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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Alger, J. R. "Gathering Metabolic Information Using 13C and 1H High Resolution Spectra of Living Systems." In NMR in Living Systems. Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4580-7_16.

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Ori, Ottorino, Franco Cataldo, Damir Vukičević, and Ante Graovac. "Topological Determination of 13C–NMR Spectra of C66 Fullerenes." In The Mathematics and Topology of Fullerenes. Springer Netherlands, 2010. http://dx.doi.org/10.1007/978-94-007-0221-9_11.

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Džeroski, Sašo, Steffen Schulze-Kremer, Karsten R. Heidtke, Karsten Siems, and Dietrich Wettschereck. "Applying ILP to diterpene structure elucidation from 13C NMR spectra." In Inductive Logic Programming. Springer Berlin Heidelberg, 1997. http://dx.doi.org/10.1007/3-540-63494-0_47.

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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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Born, R., and H. W. Spiess. "Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers." In Ab Initio Calculations of Conformational Effects on 13C NMR Spectra of Amorphous Polymers. Springer Berlin Heidelberg, 1997. http://dx.doi.org/10.1007/978-3-642-60644-1_1.

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Nakano, Ryo, Hisashi Honda, Shin’ichi Ishimaru, and Sumiko Noro. "1H MAS, 13C CP/MAS, and 2H NMR spectra studies of piperidinium ${\emph{p}}$ -chlorobenzoate." In HFI / NQI 2012. Springer Netherlands, 2012. http://dx.doi.org/10.1007/978-94-007-6479-8_41.

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Conference papers on the topic "13C NMR spectrum"

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Ye, Xiaohua, William Grube, Huiling Zhu, Debbie Gustafson, Vikram Singh, and Megan Dube. "Enhanced Sensor Characterization with Visible and NIR Spectrum-Simulation Light Sources." In Frontiers in Optics. Optica Publishing Group, 2024. https://doi.org/10.1364/fio.2024.jtu4a.13.

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A spectrum-simulating light source covering 380nm to 1100nm, powered by a laser driven light source, is proposed to facilitate sensor characterizations. Key features investigated include high color accuracy, linearity, and flexibility in the spectral output.
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Carabedian, Michel, and Jacques-Emile Dubois. "EXTRACTING GENERIC KNOWLEDGE FROM SPECIFIC STRUCTURE/ SPECTRUM DATA BANKS. CASE OF A 13C NMR DATA BANK." In Data For Discovery. Begellhouse, 2023. http://dx.doi.org/10.1615/1-56700-002-9.220.

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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 to CH3, C-N, and chloride species at various wavenumbers. The 1H NMR spectrum of the Ru140 complex reveals distinct peaks corresponding to different atomic environments, including protons attached to sp3 hybridized C-atoms, nitrogen atoms, and protons involved in aromatic rings, as well as signals from deuterated chloroform and water. The 13C NMR spectrum displays peaks for saturated carbon atoms in methyl and isopropyl groups at lower, and aromatic carbons at higher chemical shifts. The structure of the complex was optimized at B3LYP/6-31+G(d,p)(H,C,N,Cl)/LanL2DZ level of theory and intramolecular interactions were analyzed through the Natural Bond Orbital approach.
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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 6 and 5 steps in 62% and 81% overall yields, respectively [2,3]. Intermediate acyl chlorides 4 and 5 were generated in situ by treating acids 2 and 3 with oxalyl chloride in anhydrous benzene and then coupled with phenothiazine in the presence of triethylamine in methylene chloride on stirring to give hybrid phenothiazines 6 and 7 in depicted yields (see Scheme). The structures of all synthesized compounds were fully confirmed by spectral methods of analysis (IR, 1H, 13C and 15N NMR).
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Eichenauer, Sabrina, Bernd Weber, and Ernst A. Stadlbauer. "Thermochemical Processing of Animal Fat and Meat and Bone Meal to Hydrocarbon Based Fuels." In ASME 2015 9th International Conference on Energy Sustainability collocated with the ASME 2015 Power Conference, the ASME 2015 13th International Conference on Fuel Cell Science, Engineering and Technology, and the ASME 2015 Nuclear Forum. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/es2015-49197.

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The results of the study at hand may have implications for treatment of grease, lipid fractions, free fatty acids (FFA) and salts of FFA extracted from wastes of food industry, bio-refineries or sewage sludge as well as contaminated lipid containing forage. The goal of the study is, to prevent such contaminated wastes from entering the food chain. The following ways of treatment are proposed. Thermal conversion of waste fats from rendering plants or lipids in the presence of aluminosilicates of the zeolite family produce hydrocarbons with net calorific values in the range of 40–42 MJ/kg. NMR studies show aliphatic hydrocarbons as main product at T = 400°C. The spectrum of products is shifted to alkyl benzenes at T = 550°C. In case of sodium carbonate conversion is achieved in the presence of 5% water at T = 430 ± 20°C yielding mainly a liquid bio-crude with a low acid index, a mixture of non-condensable gases and minor amounts of coke. Rectification of bio-crude from animal fat produces 65.8% of hydrocarbon based bio-diesel and 13.3% of gasoline type hydrocarbons. Distillation curve for bio-diesel is in accordance with DIN EN 490. However, the gasoline fraction lacks low boiling hydrocarbons indicating the necessity for technical improvements of condensers. Sodium carbonate is found to be effective as well as being relatively inexpensive compared to zeolite catalysts. Finally, successful conversion of meat and bone meal to biochar is proved by solid-state 13C-NMR.
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Cojocari, Sergiu, Dmitri Bilan, and Fliur Macaev. "Synthesis and structure of compounds obtained from the interaction of (+) 3-carene monoterpene with potassium permanganate." 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.ab06.

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At present one of the main features of the chemistry of natural cyclopropanes is determined by the great diversity/variability of their structures and properties. However, the low content of most optically active cyclopropanes obtained from natural sources is a priority and requires the urgent development of readily applicable methods for synthesis from available natural substances, e.g. (+)-3-carene monoterpene 1. A distinctive structural feature of (+)-3-carene is the presence in its molecule of a bicyclic bridge system consisting of methylcyclohexane, 2,2dimethylcyclopropane moieties and a reactive С-С double bond. The main aim of the work is to obtain oxygen-containing functional groups in the (+)-3carene 1 molecule, thus the oxidation properties of (+)-3-carene with permanganate in an acetone solution were studied.It was found that after 3 hours of mixing of the reagents a mixture of products (TLC data) was formed, which allowed the isolation by SiO2 column chromatography of three predominant substances. Less polar was substance 2, in the IR spectrum of which there are characteristic stretching vibration frequencies for the unsaturated ketone (1660 cm-1), for methyl (1370 and 1385 cm-1). In the 1H NMR spectrum, the singlet signals of six protons and three protons of two single methyl groups in a strong field are complemented by one proton signals of three vinyl protons and a two proton signal of the methylene group. These data, combined with 13C NMR data, indicate the structure of (2Z,4Z)-3,6,6-trimethylcyclohepta-2,4-dienone 2. (1R,4S,6S)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptane-3-one 3. The most polar substance was cis-diol (1S,3S,4R,6R)-3,7,7-trimethylbicyclo[4.1.0]heptan-33,4-diol 4. Thus, it was found that the interaction of monoterpene (+)-3-carene 1 with KMnO4 occurs with the introduction of both one and two oxygen-containing functional groups, and involves both change and conservation of the carene "scaffold".
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Gorincioi, Elena, and Natalia Ciobanu. "Complete assignments of the 1h, 13c and 15n spectra for (+/-)-monastrol by 1D and 2D hr NMR techniques." In Conferința științifică națională cu participare internațională "Integrare prin cercetare și inovare", dedicată Zilei Internaționale a Științei pentru Pace și Dezvoltare. Moldova State University, 2025. https://doi.org/10.59295/spd2024n.80.

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The current communication reports on the use of Nuclear Magnetic Resonance (NMR) Spectroscopy for full NMR characterization of monastrol, a well-explored synthetic molecule that has demonstrated significant biological effects of suppressing the motility of the mitotic motor protein kinesin Eg5. Our work has been aimed at complete NMR characterization of the title compound, since no available data in the literature were found, presenting the full assignment of 1H, 13C and 15N nuclei in its structure. The combination of 1D and 2D HETCOR 1H-13C and 1H-15N NMR experiments spectra were employed to provide an unambiguous set of assignments. NMR characteristics for the nitrogen nuclei of N,N"-disubstituted thiourea fragment are presented for the first time.
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Ming Li, Kevin M. Keener, and Brian E. Farkas. "Frying Oil Studied by High Resolution NMR 1H and 13C spectra." In 2003, Las Vegas, NV July 27-30, 2003. American Society of Agricultural and Biological Engineers, 2003. http://dx.doi.org/10.13031/2013.14195.

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Su, Haw-Lih, Rajeesha Rajan, Yousef Mohammad Hijji, Mohammad Ibrahim Ahmad Ibrahim, and Mohammed Hussain S. A. Alsafran. "Detecting Organic Nitrogen with 1H-15N HMBC Spectra." In Qatar University Annual Research Forum & Exhibition. Qatar University Press, 2021. http://dx.doi.org/10.29117/quarfe.2021.0038.

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NMR spectroscopy has been the most important tool for organic chemistry research, providing detailed structure information. While 1H and 13C NMR spectra were frequently measured, 15N NMR spectra were relatively rare, even though nitrogen is commonly observed in organic molecules. This is due to the low gyromagnetic ratio and nature abundance. Usually 15N NMR spectra are observed when the sample is in very high concentration or the nitrogen is enriched with 15N isotope. HMBC is one of the 2D NMR techniques, measuring the through-bond correlations inside a molecule. 1H-15N HMBC actually collects a series of measurements of 1H NMR spectra with 15N information. Therefore, HMBC could get stronger signals than 15N signals and provide the opportunity for the indirect measurement of 15N signals.
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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 infrared spectra were recorded in the region ranging from 400 cm-1 to 4000 cm-1 , capturing a comprehensive range of vibrational modes of the studied compound with the main chemical groups outlined. The quantum-chemical optimization of 1 at B3LYP/6-31+G(d,p)(H,C,N,Cl)/LanL2DZ(Ru) level of theory allowed the prediction of structural parameters and analysis of intramolecular interactions governing stability through Natural Bond Orbital approach. The future biological investigation of this compound is advised.
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Reports on the topic "13C NMR spectrum"

1

Hoitink, Harry A. J., Yitzhak Hadar, Laurence V. Madden, and Yona Chen. Sustained Suppression of Pythium Diseases: Interactions between Compost Maturity and Nutritional Requirements of Biocontrol Agents. United States Department of Agriculture, 1993. http://dx.doi.org/10.32747/1993.7568755.bard.

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Several procedures were developed that predict maturity (stability) of composts prepared from municipal solid wastes (MSW). A respirometry procedure, based O2 uptake by compost, predicted (R2=0.90) the growth response of ryegrass in composts and an acceptable level of maturity. Spectroscopic methods (CPMAS13-NMR and DRIFT spectroscopy) showed that the stabilizing compost contained increasing levels of aromatic structures. All procedures predicted acceptable plant growth after approximately 110 days of composting. MSW compost suppressed diseases caused by a broad spectrum of plant pathogens including Rhizoctonia solani, Pythium aphanidermatum and Fusarium oxysporum. A strain of Pantoea agglomerans was identified that caused lysis of hyphae of R. solani. Evidence was obtained, suggesting that thermophilic biocontrol agents also might play a role in suppression. 13C-NMR spectra revealed that the longevity of the suppressive effect against Pythium root rot was determined by the concentration of readily biodegradable carbohydrate in the substrate, mostly present as cellulose. Bacterial species capable of inducing biocontrol were replaced by those not effective as suppression was lost. The rate of uptake of 14C-acetate into microbial biomass in the conducive substrate was not significantly different from that in the suppressive substrate although specific activity was higher. The suppressive composts induced systemic acquired resistance in cucumjber roots to Pythium root rot and to anthracnose in the foliage. Composts also increased peroxidase activity in plants by the conducive substrate did not have these effects. In summary, the composition of the organic fraction determined bacterial species composition and activity in the substrate, which in turn regulated plant gene expression relative to biological control.
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Hoitink, Harry A. J., Yitzhak Hadar, Laurence V. Madden, and Yona Chen. Sustained Suppression of Pythium Diseases: Interactions between Compost Maturity and Nutritional Requirements of Biocontrol Agents. United States Department of Agriculture, 1993. http://dx.doi.org/10.32747/1993.7568746.bard.

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Several procedures were developed that predict maturity (stability) of composts prepared from municipal solid wastes (MSW). A respirometry procedure, based O2 uptake by compost, predicted (R2=0.90) the growth response of ryegrass in composts and an acceptable level of maturity. Spectroscopic methods (CPMAS13-NMR and DRIFT spectroscopy) showed that the stabilizing compost contained increasing levels of aromatic structures. All procedures predicted acceptable plant growth after approximately 110 days of composting. MSW compost suppressed diseases caused by a broad spectrum of plant pathogens including Rhizoctonia solani, Pythium aphanidermatum and Fusarium oxysporum. A strain of Pantoea agglomerans was identified that caused lysis of hyphae of R. solani. Evidence was obtained, suggesting that thermophilic biocontrol agents also might play a role in suppression. 13C-NMR spectra revealed that the longevity of the suppressive effect against Pythium root rot was determined by the concentration of readily biodegradable carbohydrate in the substrate, mostly present as cellulose. Bacterial species capable of inducing biocontrol were replaced by those not effective as suppression was lost. The rate of uptake of 14C-acetate into microbial biomass in the conducive substrate was not significantly different from that in the suppressive substrate although specific activity was higher. The suppressive composts induced systemic acquired resistance in cucumjber roots to Pythium root rot and to anthracnose in the foliage. Composts also increased peroxidase activity in plants by the conducive substrate did not have these effects. In summary, the composition of the organic fraction determined bacterial species composition and activity in the substrate, which in turn regulated plant gene expression relative to biological control.
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อำนวยผล, สุรัตนา. การแยกสารสำคัญจากพืชสมุนไพรที่มีฤทธิ์ต้านเบาหวาน ในพื้นที่ของโครงการอนุรักษ์ พันธุกรรมพืชอันเนื่องจากพระราชดำริฯ โดยการวัดฤทธิ์การยับยั้งการสร้างแอดวานซ์ ไกลเคชันเอ็นด์โปรดักส์ ปีที่ 2 : รายงานผลการดำเนินงาน. จุฬาลงกรณ์มหาวิทยาลัย, 2014. https://doi.org/10.58837/chula.res.2014.27.

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จากการนำสารสกัดพืชสมุนไพรจากพื้นที่ของโครงการอนุรักษ์พันธุกรรมพืช อันเนื่องจากพระราช ดำริฯ ที่มีฤทธิ์ดีในการยับยั้งการสร้างแอดวานซ์ไกลเคชันเอ็นด์โปรดักส์ ได้คัดเลือกใบพลองใบรี นำมาสกัดแยกสารด้วยวิธี Bioassay guided fractionation สามารถแยกสารได้ 1 สาร คือ สาร NP จากการพิสูจน์เอกลักษณ์ของสารทั้งสอง พบว่า คือ 2-(3’,5’-dihydroxy-4’-methoxyphenyl)-3,5,7-trihydroxy- chromen-4-one หรือ mearnsetin โดยเทียบกับข้อมูล 1 H-NMR และ 13C-NMR spectra ของสารที่ได้รายงานมาแล้ว จากการทดสอบฤทธิ์ยับยั้งการสร้างแอดวานซ์ไกลเคชันเอ็นด์โปรดักส์ พบว่า mearnsetin มีร้อยละของการยับยั้งการสร้าง AGE เป็น 75.62 และร้อยละของการยับยั้งการทำงานของเอนไซม์แอลฟากลูโคสิเดสเป็น 90.47
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Ostrowski, Stanislaw, Thomas G. Burke, and Waldemar Priebe. 13 C NMR Spectra of Allosteric Effectors of Hemoglobin. Defense Technical Information Center, 1993. http://dx.doi.org/10.21236/ada262979.

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Chapman, Stephen, Darcy Burns, and Timothy Burrow. 1H and 13C NMR spectra of N6-allyl-6-norlysergic acid diethylamide (AL-LAD). Isomer Design, 2016. http://dx.doi.org/10.16889/isomerdesign-3.

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Chapman, Stephen, Darcy Bruns, and Timothy Burrow. 1H and 13C NMR spectra of (2′S,4′S)-lysergic acid 2,4-dimethylazetidide (LSZ). Isomer Design, 2016. http://dx.doi.org/10.16889/isomerdesign-4.

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Kloepper, Joseph W., and Ilan Chet. Endophytic Bacteria of Cotton and Sweet Corn for Providing Growth Promotion and Biological Disease Control. United States Department of Agriculture, 1996. http://dx.doi.org/10.32747/1996.7613039.bard.

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Endophytes were isolated from 16.7% of surface-disinfested seeds and 100% of stems and roots of field-growth plants. Strains from Israel with broad-spectrum in vitro antibiosis were mainly Bacillus spp., and some were chitinolytic. Following dipping of cut cotton roots into suspensions of these strains, endophytes were detected up to 72 days later by isolation and by autoradiograms of 14C-labelled bacteria. Selected endophytes exhibited biological control potential based on significant reductions in disease severity on cotton inoculated with Rhizoctonia solani or Fusarium oxysporum f. sp. vasinfectum as well as control of Sclerotium rolfsii on bean. Neither salicylic acid nor chitinase levels increased in plants as a result of endophytic colonization, suggesting that the observed biocontrol was not accounted for by PR protein production. Some biocontrol endophytes secreted chitinolytic enzymes. Model endophytic strains inoculated into cotton stems via stem injection showed only limited movement within the stem. When introduced into stems at low concentrations, endophytes increased in population density at the injection site. After examining several experimental and semi-practical inoculation systems, seed treatment was selected as an efficient way to reintroduce most endophytes into plants.
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