Log in

Relevant bibliographies by topics / 13C nmr spectral analysis / Journal articles

To see the other types of publications on this topic, follow the link: 13C nmr spectral analysis.

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

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic '13C nmr spectral analysis.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

2

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

3

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

4

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.

Full text

Abstract:

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.

APA, Harvard, Vancouver, ISO, and other styles

5

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

6

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

7

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

8

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

9

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.

Full text

Abstract:

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.

APA, Harvard, Vancouver, ISO, and other styles

10

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.

Full text

Abstract:

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

APA, Harvard, Vancouver, ISO, and other styles

11

Fleisher, Adam J., Charles D. Schaeffer, Beth A. Buckwalter, and Claude H. Yoder. "1H,13C, and73Ge NMR spectral analysis of substituted aryltrimethylgermanes." Magnetic Resonance in Chemistry 44, no. 2 (2006): 191–94. http://dx.doi.org/10.1002/mrc.1746.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Nesic, Milan, Milica Nesic, and Niko Radulovic. "Assignment of NMR spectral data of diastereomeric tetrahydrofuranyl acetals directly from their mixture by spectral simulation." Journal of the Serbian Chemical Society, no. 00 (2023): 54. http://dx.doi.org/10.2298/jsc230614054n.

Full text

Abstract:

In this study, an NMR spectral analysis of the mixture of diastereomeric acetals, synthesized from 2,3-dihydrofurane and a racemic mixture of citronellol, was performed. 1H NMR full spin analysis was achieved by manually adjusting ?H and J values (previously calculated using the Spartan software) to fit the experimentally available values, followed by further optimization using MestreNova software. 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 s

APA, Harvard, Vancouver, ISO, and other styles

13

Smith, Thomas Brendan, Kamlesh Patel, Haydn Munford, et al. "High-Speed Tracer Analysis of Metabolism (HS-TrAM)." Wellcome Open Research 3 (January 12, 2018): 5. http://dx.doi.org/10.12688/wellcomeopenres.13387.1.

Full text

Abstract:

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) offers high resolution data, yet 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 due to J-coupling in 1H,13C-HSQC NMR spectra, which allow the rapid collection of NMR data in a quantitative manner on a single sample. The reduced du

APA, Harvard, Vancouver, ISO, and other styles

14

Thirunarayanan, G., I. Muthuvel, and V. Sathiyendiran. "Effect of Substituents on Phenazine Derivatives by Spectral Studies." International Letters of Chemistry, Physics and Astronomy 48 (March 2015): 114–22. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.48.114.

Full text

Abstract:

A series of eleven substituted dipyrido[3,2-a; 2′,3′-c]phenazine derivatives have been synthesized and examined their purities by literature method. The infrared and 13C NMR spectral data of prepared phenazines were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the infrared frequencies (ν, cm-1) and 13C nmr chemical shifts(δ, ppm) has been studied.

APA, Harvard, Vancouver, ISO, and other styles

15

Thirunarayanan, G., I. Muthuvel, and V. Sathiyendiran. "Effect of Substituents on Phenazine Derivatives by Spectral Studies." International Letters of Chemistry, Physics and Astronomy 48 (March 25, 2015): 114–22. http://dx.doi.org/10.56431/p-5863a6.

Full text

Abstract:

A series of eleven substituted dipyrido[3,2-a; 2′,3′-c]phenazine derivatives have been synthesized and examined their purities by literature method. The infrared and 13C NMR spectral data of prepared phenazines were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the infrared frequencies (ν, cm-1) and 13C nmr chemical shifts(δ, ppm) has been studied.

APA, Harvard, Vancouver, ISO, and other styles

16

Mazurek, Sylwester, Roman Szostak, Mateusz Kondratowicz, Magdalena Węglińska, Agnieszka Kita, and Agnieszka Nemś. "Modeling of Antioxidant Activity, Polyphenols and Macronutrients Content of Bee Pollen Applying Solid-State 13C NMR Spectra." Antioxidants 10, no. 7 (2021): 1123. http://dx.doi.org/10.3390/antiox10071123.

Full text

Abstract:

An application of solid 13C nuclear magnetic resonance (NMR) spectroscopy for the determination of macronutrients, total polyphenols content, antioxidant activity, N C S elements, and pH in commercially available bee pollens is reported herein. Solid-state 13C NMR spectra were recorded for homogenized pollen granules without chemical treatment or dissolution of samples. By combining spectral data with the results of reference analyses, partial least squares models were constructed and validated separately for each of the studied parameters. To characterize and compare the models’ quality, the

APA, Harvard, Vancouver, ISO, and other styles

17

Rahman, S. M. Mizanur, Serajum Munira, and M. Amzad Hossain. "PHYTOCHEMICAL STUDY OF THE ARIAL PARTS OF Cleome rutidosperma DC PLANT." Indonesian Journal of Chemistry 8, no. 3 (2010): 459–62. http://dx.doi.org/10.22146/ijc.21606.

Full text

Abstract:

Two new compounds were identified as 2-ethyl-cyclohex-2-ene-6-hydroxy-methylene-1-carboxylic acid and 3b-hydroxy-lup-20(29)-en-28-oic acid, respectively, from the petroleum ether extracts of Cleome rutidosperma plant. These two constituents is the first time occurrence in this plant. The structures of the two different type of compounds are elucidated with the help of UV, IR, 1H-NMR, 13C-NMR, COSY, DEPT 90, DEPT 135 and mass spectral data. Keywords: Cleome rutidosperm DC; isolation; spectral analysis

APA, Harvard, Vancouver, ISO, and other styles

18

You, Mingxue, Weiqian Liao, Genlai Zhou, and Yihui Bai. "Synthesis, spectral analysis, and theoretical investigations of diphenyl fumarate." Journal of Chemical Research 46, no. 3 (2022): 174751982210855. http://dx.doi.org/10.1177/17475198221085550.

Full text

Abstract:

Diphenyl fumarate is synthesized from maleic anhydride and phenol under solvent-free conditions. The structure of the product is characterized by FTIR, 1H NMR, and 13C NMR. The molecular structure is optimized using the density functional theory approach at the B3LYP/6-311G(d,p) level and the structural parameters are analyzed. Theoretical vibrational frequencies are investigated at the same level; the 1H NMR and 13C NMR are simulated using the default gauge-independent atomic orbital method at the B3LYP/6-31G(d) level and the solvation model density implicit continuum solvation model for chlo

APA, Harvard, Vancouver, ISO, and other styles

19

Tabatabaei Anaraki, Maryam, Wolfgang Bermel, Rudraksha Dutta Majumdar, et al. "1D “Spikelet” Projections from Heteronuclear 2D NMR Data—Permitting 1D Chemometrics While Preserving 2D Dispersion." Metabolites 9, no. 1 (2019): 16. http://dx.doi.org/10.3390/metabo9010016.

Full text

Abstract:

Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for the non-targeted metabolomics of intact biofluids and even living organisms. However, spectral overlap can limit the information that can be obtained from 1D 1H NMR. For example, magnetic susceptibility broadening in living organisms prevents any metabolic information being extracted from solution-state 1D 1H NMR. Conversely, the additional spectral dispersion afforded by 2D 1H-13C NMR allows a wide range of metabolites to be assigned in-vivo in 13C enriched organisms, as well as a greater depth of information for biofluids i

APA, Harvard, Vancouver, ISO, and other styles

20

Klei, B., and J. L. Koenig. "Solid State 13C NMR Analysis of Vulcanized Rubbers XVI. The Competitive Vulcanization of Natural Rubber and Polybutadiene Blends." Rubber Chemistry and Technology 70, no. 2 (1997): 231–42. http://dx.doi.org/10.5254/1.3538428.

Full text

Abstract:

Abstract Solid state 13C NMR was used to study the competitive vulcanization of blends of natural rubber and high cis polybutadiene. A NMR sampling technique utilizing the stacked homopolymers was developed that helps to determine the spectral differences occurring due to competitively vulcanizing an elastomer blend. The small amount of interfacial crosslinking was expected to be undetectable but has been tentatively observed. Concentration of crosslinks at the interface may occur from limited solubility of curative species in both rubbers. The NMR spectra also showed inhibition of cis-trans i

APA, Harvard, Vancouver, ISO, and other styles

21

Chubinidze, G. D., D. G. Turabelidze, V. G. Tsitsishvili, and V. S. Kikoladze. "13C NMR spectral analysis of anthraquinone derivatives from Rumex alpinus." Chemistry of Natural Compounds 23, no. 6 (1987): 762–63. http://dx.doi.org/10.1007/bf00596663.

Full text

APA, Harvard, Vancouver, ISO, and other styles

22

Thakar, A. S., K. K. Singh, K. T. Joshi, A. M. Pancholi, and K. S. Pandya. "Synthesis, Characterization and Antibacterial Activity of Schiff Bases and their Metal Complexes Derived from 4-Acyl-1-phenyl-3-methyl-2-pyrazolin-5-ones and 2-Amino-4(4'-methylphenyl)-thiazole." E-Journal of Chemistry 7, no. 4 (2010): 1396–406. http://dx.doi.org/10.1155/2010/163264.

Full text

Abstract:

4-Acyl-1-phenyl-3-methyl-2-pyrazolin-5-ones condensed with 2-amino-4(4'-methylphenyl)-thiazole to form Schiff base. These Schiff bases from complexes of type ML22H2O (M=Mn, Fe, Co, Ni and Cu). Elemental analysis, magnetic susceptibility, electrical conductance, electronic and Infrared spectral data suggested octahedral structure for the complexes. All the compounds were tested for their antibacterial activity. The result indicates that the growth of the tested organism was inhibited by most of the compounds. These Schiff bases are characterized by elemental analysis, mass spectra,1H-NMR spectr

APA, Harvard, Vancouver, ISO, and other styles

23

Thirunarayanan, Ganesamoorthy. "IR and NMR Spectral Studies of Some 4-(6-methoxy-2-naphthyl)-5,6-dihydro-6-(Substituted Phenyl)-⁴H-1,3-Oxazine-2-Amines: Assessment of Substituent." International Letters of Chemistry, Physics and Astronomy 23 (November 2013): 109–16. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.23.109.

Full text

Abstract:

A series containing thirteen title compounds were synthesized and recorded IR and NMR spectra. The infrared νNH, C=N(cm-1)stretches, 1H NMR δNH, 13C NMR δC=N(ppm) chemical shifts of synthesized oxazine amines were assigned and correlated with Hammett substituent constants, F and R parameters. From the results of statistical analyses, the effect of substituents on the above spectral frequencies can be discussed.

APA, Harvard, Vancouver, ISO, and other styles

24

Thirunarayanan, Ganesamoorthy. "IR and NMR Spectral Studies of Some 4-(6-methoxy-2-naphthyl)-5,6-dihydro-6-(Substituted Phenyl)-<sup>4</sup><i>H</i>-1,3-Oxazine-2-Amines: Assessment of Substituent." International Letters of Chemistry, Physics and Astronomy 23 (November 30, 2013): 109–16. http://dx.doi.org/10.56431/p-h1w2ik.

Full text

Abstract:

A series containing thirteen title compounds were synthesized and recorded IR and NMR spectra. The infrared νNH, C=N(cm-1)stretches, 1H NMR δNH, 13C NMR δC=N(ppm) chemical shifts of synthesized oxazine amines were assigned and correlated with Hammett substituent constants, F and R parameters. From the results of statistical analyses, the effect of substituents on the above spectral frequencies can be discussed.

APA, Harvard, Vancouver, ISO, and other styles

25

Dekic, Vidoslav, Biljana Dekic, and Niko Radulovic. "1H and 13C NMR spectral assignments of an amino acid-coumarin hybrid." Facta universitatis - series: Physics, Chemistry and Technology 11, no. 1 (2013): 101–7. http://dx.doi.org/10.2298/fupct1301101d.

Full text

Abstract:

Synthesis and detailed spectral analysis of a new 4-substituted coumarin-amino acid derivate are presented in this paper. A new glycine derivate of (3-nitro-2-oxo-2H-chromen-4-yl)amino]acetate was prepared by condensation of 4-chloro-3-nitrocoumarin and ethyl glycinate hydrochloride. The complete assignment of 1H and 13C NMR chemical shifts of the synthesized compound was carried out by the aid of a combination of 1D (1H and 13C NMR) and 2D (1H-1H-COSY, NOESY, HSQC and HMBC) NMR experiments.

APA, Harvard, Vancouver, ISO, and other styles

26

Kuz’mina, Natalia E., Sergey V. Moiseev, Elena Y. Severinova, Evgenii A. Stepanov, and Natalia D. Bunyatyan. "Identification and Quantification by NMR Spectroscopy of the 22R and 22S Epimers in Budesonide Pharmaceutical Forms." Molecules 27, no. 7 (2022): 2262. http://dx.doi.org/10.3390/molecules27072262.

Full text

Abstract:

The authors developed four variants of the qNMR technique (1H or 13C nucleus, DMSO-d6 or CDCl3 solvent) for identification and quantification by NMR of 22R and 22S epimers in budesonide active pharmaceutical ingredient and budesonide drugs (sprays, capsules, tablets). The choice of the qNMR technique version depends on the drug excipients. The correlation of 1H and 13C spectra signals to molecules of different budesonide epimers was carried out on the basis of a comprehensive analysis of experimental spectral NMR data (1H-1H gCOSY, 1H-13C gHSQC, 1H-13C gHMBC, 1H-1H ROESY). This technique makes

APA, Harvard, Vancouver, ISO, and other styles

27

R., Rajalakshmi, and Elakiya T. "Effect of substituents on infrared, H1 and C13NMR spectra of Schiff's bases derived from Furfuryl amine." International Journal of Trend in Scientific Research and Development 2, no. 2 (2018): 550–54. https://doi.org/10.31142/ijtsrd8380.

Full text

Abstract:

Several substituted Schiff,s bases have been derived from furfuryl amine and their IR, 1H and 13C NMR spectra are recorded. The IR C=N cm 1 , NMR d ppm of CH=N spectral data have been correlated with Hammett substituent constants and Swain Lupton's parameters using single and multi linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. R. Rajalakshmi | T. Elakiya "Effect of substituents on infrared, H1 and C13NMR spectra of Schiff's bases derived from Furfuryl amine" Published in Internatio

APA, Harvard, Vancouver, ISO, and other styles

28

Miltojevic, Ana, and Niko Radulovic. "Complete assignment of 1H- and 13C-NMR spectra of anthranilic acid and its hydroxy derivatives and salicylic acid and its amino derivatives." Facta universitatis - series: Physics, Chemistry and Technology 13, no. 2 (2015): 121–32. http://dx.doi.org/10.2298/fupct1502121m.

Full text

Abstract:

We report on the detailed NMR spectral analyses of amino- or/and hydroxy-substituted benzoic acids: anthranilic (AA), 3-hydroxyanthranilic (3-HAA), 5-hydroxyanthranilic (5-HAA), salicylic (SA), 4-aminosalicylic (4-ASA) and 5-aminosalicylic (5-ASA) acids. According to a literature survey, there are limited, unassigned or even incorrectly assigned spectral data to these benzoic acid derivatives. In order to amend the situation, a complete assignment of 1H- and 13C-NMR spectra of these compounds, recorded in perdeuteriodimethyl sulfoxide (DMSO-d6), based on a combination of 1D- and 2D-NMR experim

APA, Harvard, Vancouver, ISO, and other styles

29

Gao, Xinyu, Niping Feng, Yuhan Zi, Jianguo Cao, and Guozheng Huang. "Ureido Derivatives of Neoabietic Acid." Molbank 2018, no. 4 (2018): M1033. http://dx.doi.org/10.3390/m1033.

Full text

Abstract:

A series of ureido derivatives of neoabietic acid were synthesized by application of Curtius rearrangement reaction to neoabietic acid and amines. Structure characterization of these compounds was done by 1H-NMR, 13C-NMR and HRMS spectral analysis.

APA, Harvard, Vancouver, ISO, and other styles

30

Zhang, Huimin, Hongguang Yan, Cuixiang Lu, Hui Lin, and Quan Li. "Solid-state NMR Spectroscopic Analysis of Sweet Cherry Leaves under Different Cultivation Patterns." HortScience 56, no. 2 (2021): 270–76. http://dx.doi.org/10.21273/hortsci15346-20.

Full text

Abstract:

Solid-state 1H-NMR and 13C-NMR spectroscopy were used to investigate the chemical components of sweet cherry tree leaves under rain-shelter cultivation (RS) and open-field cultivation (CK). The 1H-NMR spectral chemical shifts of RS and CK showed differences in height and integral value. The δ 1–3, δ 3–4, δ 4–6, and δ 6–10 regions were attributed to the hydrogen signals of aliphatic compounds, unsaturated carbohydrate compounds, and aromatic compounds, respectively. Among the four regions, the percentage of signal strength and the integral value of hydrogen signals of RS and CK were 34.25% and

APA, Harvard, Vancouver, ISO, and other styles

31

Huda ahmed younis and Raheem Jameel Mahesein. "Synthesis and characterization A derivative of levofloxacin and a study of its bacteriostatic activity." Journal of Kufa for Chemical Sciences 3, no. 1 (2023): 97–125. http://dx.doi.org/10.36329/jkcm/2023/v3.i1.11699.

Full text

Abstract:

This study includes two newly synthesized prodrugs of Levofloxacin derivatives mono and dipeptide H2, where was the Synthesized monoPeptide as Levofloxacin-Histadine (L-H), as well as dipeptide H6 as Synthesis of diPeptide (phenylalanine- levofloxacin (GPA-L), using a Levofloxacin substituted. Spectroscopic data were studied for two derivative compounds H2 and H6 and reactivity indices were characterized using techniques FT-IR, 1H-NMR, and 13C-NMR. All the newly produced derivative compounds H2 and H6 have FT-IR spectra that share similarities in certain fingerprint-like bands and other bands.

APA, Harvard, Vancouver, ISO, and other styles

32

Rodrigues, Virginia F., Rodrigo R. Oliveira, and Maria Raquel G. Vega. "A New Isocoumarin from Cajanus cajan (Fabaceae)." Natural Product Communications 9, no. 4 (2014): 1934578X1400900. http://dx.doi.org/10.1177/1934578x1400900416.

Full text

Abstract:

A new isocoumarin, 3-phenyl-8-hydroxy-6-methoxy-5-γ, γ-dimethylallyl-isocoumarin, named cajavilmina (1) and eight known compounds: α-amirenone (2), β-amirenone (3), lupenone (4), 5-hydroxy-7-methoxydihydroflavone (5), longistilin C (6), 3-hydroxy-5-methoxystilbene (7), β-sitosterol (8) and stigmasterol (9) were identified in a dichloromethane fraction from Cajanus cajan leaves. Structures were elucidated by analysis of spectral data, mainly those afforded by 1H, NOEDIFF and 13C NMR (1D and 2D NMR HMQC, HMBC and COSY) and mass spectra.

APA, Harvard, Vancouver, ISO, and other styles

33

Barkhuijsen, H., R. de Beer, M. J. Duijvestijn, C. van der Lugt, D. van Ormondt, and R. A. Wind. "The use of parametric spectral analysis in 13C NMR in solids." Journal of Magnetic Resonance (1969) 62, no. 1 (1985): 153–57. http://dx.doi.org/10.1016/0022-2364(85)90309-9.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Barbuceanu, Stefania-Felicia, Octavian Tudorel Olaru, Laura-Ileana Socea, et al. "S-Alkylated 1,2,4-Triazoles Derivatives Synthesis, spectral analysis and cytotoxicity evaluation." Revista de Chimie 70, no. 1 (2019): 13–17. http://dx.doi.org/10.37358/rc.19.1.6841.

Full text

Abstract:

This paper presents synthesis, characterization and cytotoxicity assessment of six S-alkylated 1,2,4-triazoles derivatives that were obtained by treatment of some 1,2,4-triazole-3-thiones containing in the molecule phenylsulfonylphenyl and propyl or 4-bromophenylsulfonylphenyl and 4-methoxyphenyl fragments with different alkylation agents (ethyl bromide, ethyl chloroacetate or phenacyl bromide) in basic media. The synthesized compounds were physico-chemically characterized and the IR, 1H-NMR, 13C-NMR spectra were consistent with the assigned structures. The cytotoxicity of S-alkylated derivati

APA, Harvard, Vancouver, ISO, and other styles

35

Srivastva, Abhay Nanda, Sayanwita Panja, Netra Pal Singh, and Chandra Kiran Shriwastaw. "Bioactive Metal Complexes of Schiff Base Derived from 2,3-Dioxobutane, Ethane-1,2-diamine and 4-Chloro-2-formylphenol: Spectral Studies and in vitro Antimicrobial Activity." Asian Journal of Chemistry 33, no. 12 (2021): 3063–69. http://dx.doi.org/10.14233/ajchem.2021.23478.

Full text

Abstract:

A novel series of trivalent coordination complexes was synthesized by the reaction between a chloride/ acetate salt of iron, chromium, cobalt or manganese ions and NNNNOO type persuasive Schiff base ligand synthesized from 2,3-dioxobutane, ethane-1,2-diamine and 4-chloro-2-formylphenol. Synthesized compounds were characterized by using elemental analysis, molar conductance, magnetic moment, IR, UV-visible, 1H NMR, 13C NMR and ESI-MS spectral analyses. IR and NMR spectra favoured hexadentate coordination behaviour of ligand. Electronic spectra and magnetic moment data reveal Oh geometry with di

APA, Harvard, Vancouver, ISO, and other styles

36

Brádlerová, Alena, Nadežda Prónayová, Eva Mišíková, and Ján Ďurinda. "Preparation and properties of 2-(dialkylaminomethyl)cyclohexyl and 2-(dialkylaminomethyl)phenyl carbanilates." Collection of Czechoslovak Chemical Communications 55, no. 7 (1990): 1854–65. http://dx.doi.org/10.1135/cccc19901854.

Full text

Abstract:

A series of 2-(dialkylaminomethyl)cyclohexyl and 2-(dialkylaminomethyl)phenyl esters of substituted carbanilic acid have been prepared and their identity verified by elemental analysis and evaluation of IR and 13C NMR spectra. The spectral results have been used also for determination of isomerism of the starting 2-dialkylaminomethylcyclohexanols and final carbanilates. Local anaesthetic activity and acute toxicity have been tested with some of the substances.

APA, Harvard, Vancouver, ISO, and other styles

37

Rodrigues, Virginia F., Hadria M. Carmo, Raimundo Braz Filho, Leda Mathias, and Ivo J. Curcino Vieira. "Two New Terpenoids from Trichilia quadrijuga (Meliaceae)." Natural Product Communications 5, no. 2 (2010): 1934578X1000500. http://dx.doi.org/10.1177/1934578x1000500202.

Full text

Abstract:

Two new terpenoids, ambrosanoli-10(14)-en-11,12-diol (1), a sesquiterpene named quadrijugol, and a pregnane steroid, 3β,4β-dihydroxypregnan-16-one (2), were isolated from the stem and leaves of Trichilia quadrijuga, along with eleven known compounds, spathulenol, kudtdiol, 2β,3β,4β-trihydroxypregnan-16-one, bourjotinolone B, piscidinol, niloticin, dihydroniloticin, β-sitosterol, 3-O-β-D-glucopyranosyl-sitosterol, itesmol and stigmasterol. Structures were elucidated by spectral data analysis, mainly afforded by 1H and 13C NMR (1D and 2D NMR HMQC, HMBC, NOESY and COSY) and mass spectra.

APA, Harvard, Vancouver, ISO, and other styles

38

Desai, Nisheeth C., and Malay J. Bhatt. "Optimized Synthesis of Novel Pyrazole Based Thiazole Derivatives and their Antimicrobial Evaluation." International Letters of Chemistry, Physics and Astronomy 66 (May 2016): 109–18. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.66.109.

Full text

Abstract:

A series of nitro pyrazole based thiazole derivatives compounds were synthesized by using solid base catalyst. The process was further optimized by setting up the solvent and catalyst ratio. The structures of these compounds were elucidated by spectral (IR, 1H NMR, 13C NMR, mass spectra) analysis. Synthesized compounds were screened for their in vitro antibacterial activity against the representative panel of Gram-positive (Staphylococcus aureus, Streptococcus pyogenes) and Gram-negative (Escherichia coli, Pseudomonas aeruginosa) bacteria. These compounds were tested for their inhibitory actio

APA, Harvard, Vancouver, ISO, and other styles

39

Desai, Nisheeth C., and Malay J. Bhatt. "Optimized Synthesis of Novel Pyrazole Based Thiazole Derivatives and their Antimicrobial Evaluation." International Letters of Chemistry, Physics and Astronomy 66 (May 30, 2016): 109–18. http://dx.doi.org/10.56431/p-i63g13.

Full text

Abstract:

A series of nitro pyrazole based thiazole derivatives compounds were synthesized by using solid base catalyst. The process was further optimized by setting up the solvent and catalyst ratio. The structures of these compounds were elucidated by spectral (IR, 1H NMR, 13C NMR, mass spectra) analysis. Synthesized compounds were screened for their in vitro antibacterial activity against the representative panel of Gram-positive (Staphylococcus aureus, Streptococcus pyogenes) and Gram-negative (Escherichia coli, Pseudomonas aeruginosa) bacteria. These compounds were tested for their inhibitory actio

APA, Harvard, Vancouver, ISO, and other styles

40

Wang, Deyun, You Zhuo, Mike Karfunkle, et al. "NMR Spectroscopy for Protein Higher Order Structure Similarity Assessment in Formulated Drug Products." Molecules 26, no. 14 (2021): 4251. http://dx.doi.org/10.3390/molecules26144251.

Full text

Abstract:

Peptide and protein drug molecules fold into higher order structures (HOS) in formulation and these folded structures are often critical for drug efficacy and safety. Generic or biosimilar drug products (DPs) need to show similar HOS to the reference product. The solution NMR spectroscopy is a non-invasive, chemically and structurally specific analytical method that is ideal for characterizing protein therapeutics in formulation. However, only limited NMR studies have been performed directly on marketed DPs and questions remain on how to quantitively define similarity. Here, NMR spectra were c

APA, Harvard, Vancouver, ISO, and other styles

41

Rani, V. E., and L. K. Ravindranath. "Synthesis, Characterization and Antimicrobial Evaluation of Novel Mannich Bases Containing Pyrazole-5-One Phosphonates." Open Pharmaceutical Sciences Journal 3, no. 1 (2016): 49–55. http://dx.doi.org/10.2174/1874844901603010049.

Full text

Abstract:

Background: Newly synthesised compounds of phosphonates were prepared by condensation of diethylphosphate with imine which undergoes a reaction of mannich bases with pyrazole containing schiffs base. The base was prepared by condensation of aldehyde with primary amine. These newly synthesised derivatives were characterised by spectral analysis. Objective: Mannich bases are very important to synthesize wide variety of natural products and pharmaceuticals. Method: Thin Layer Chromatography was performed on aluminum sheet of silica gel 60F254, E-Merk, Germany using iodine as visualizing agent. IR

APA, Harvard, Vancouver, ISO, and other styles

42

Tamilvanan, S. "Antimony(III) Dithiocarbamates: Synthesis, Spectral, Theoretical and Biological Activities." Asian Journal of Chemistry 34, no. 5 (2022): 1080–90. http://dx.doi.org/10.14233/ajchem.2022.23526.

Full text

Abstract:

Antimony(III) dithiocarbamate complexes tris(N,N-difurfuryldithiocarbamato-S,S′)antimony(III) (1) and tris(N-furfuryl-N-(2-phenylethyl)dithiocarbamato-S,S′)antimony(III) (2) have been synthesized and characterized by CHN analysis, FT-IR, 1H NMR, 13C NMR spectra and antimicrobial studies. The characteristic thioureide ν(C-N) bands occur at 1459 and 1469 cm-1 for complexes 1 and 2, respectively. 1H NMR and 13C NMR chemical shifts have been calculated using GIAO approach and the calculated chemical shifts shows good agreement with experiential shifts. The computational calculations of the antimon

APA, Harvard, Vancouver, ISO, and other styles

43

Rahman, S. M. Mizanur, Shayla Pervin, Md Abdul Quader, and M. Amzad Hossain. "PHYTOCHEMICAL STUDIES OF THE PETROLEUM ETHER EXTRACT OF THE LEAVES OF Lagerstroemia speciosa Linn." Indonesian Journal of Chemistry 9, no. 3 (2010): 500–504. http://dx.doi.org/10.22146/ijc.21523.

Full text

Abstract:

Two new compounds, normal alcohol containing of higher carbons and isomer of β-sitosterol were isolated for the first time from the petroleum extract of the leaves of Lagerstroemia speciosa. The structure of the compound has been established on the basis of UV, IR, 1H-NMR, 13C-NMR and mass spectra and identified as nonanol and isomer of β-sitosterol. Keywords: Lagerstroemia speciosa, petroleum ether extracts, isolation, 1-nonanol, 2 β-sitostero, spectral analyses.

APA, Harvard, Vancouver, ISO, and other styles

44

Jagdale, Bapu Sonu, Vishnu Ashok Adole, Thansing Bhavsing Pawar, and Bhatu Shivaji Desale. "Molecular Structure, Frontier Molecular Orbitals, MESP and UV–Visible Spectroscopy Studies of Ethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: A Theoretical and Experimental Appraisal." Material Science Research India 17, SpecialIssue1 (2020): 13–26. http://dx.doi.org/10.13005/msri.17.special-issue1.04.

Full text

Abstract:

n the current investigation, we wish to report a combined study on the theoretical and experimental investigation of structural, molecular, and spectral properties of ethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (EDMT). The EDMT molecule is synthesized and characterized by UV-Visible, FT-IR, 1H NMR, 13C NMR, DEPT, and mass spectral techniques. The density functional theory (DFT) investigation was performed by using the B3LYP level of theory at 6-311++G (d,p) basis set. Frontier molecular orbital (FMO) analysis is likewise examined. An TD-DFT method wa

APA, Harvard, Vancouver, ISO, and other styles

45

Pansuriya, V. B., P. V. Dholaria, S. L. Rathod, et al. "In vitro Cytotoxic Activity against MCF-7 Breast Cancer Cells Line: Pregabalin and Chiral Amino Acid-based Peptides." Asian Journal of Chemistry 34, no. 4 (2022): 871–78. http://dx.doi.org/10.14233/ajchem.2022.23566.

Full text

Abstract:

Because of the medicinal application of peptides in the current drug discovery process, we report the synthesis and in vitro anticancer activity of various pregabalin containing peptides using chiral amino acids. The structures of newly synthesized compounds were assigned based on IR, 1H NMR, 13C NMR and mass spectral analysis. Synthesized peptides were screened for their anticancer activity on human breast cancer MCF-7 cells line by MMT assays method. Evaluation of anticancer activity shown that compound 13a (16.65% cell proliferation) was found to be most active against selected MCF-7 cell l

APA, Harvard, Vancouver, ISO, and other styles

46

Selvarani, R., S. Balasubramaniyan, K. Rajasekar, M. Thairiyaraja, and R. Meenakshi. "Synthesis, DFT and Bio-Potential Activities of Mn(II) and Hg(II) Complexes with Bidentate (E)-N′[(E)-3-Phenylallylidene]benzene-1,2-diamine." Asian Journal of Chemistry 33, no. 6 (2021): 1222–28. http://dx.doi.org/10.14233/ajchem.2021.23150.

Full text

Abstract:

A new bidentate Schiff base (E)-N′[(E)-3-phenylallylidene]benzene-1,2-diamine derived from the condensation of o-phenylenediamine and cinnamaldehyde and its Mn(II) and Hg(II) complexes were synthesized and characterized by elemental analysis, molar conductance, magnetic moment, electronic spectra, IR, far-IR and NMR (1H & 13C) spectral studies. The elemental analysis and these metal proposed the metal:ligand stoichiometry and molecular formulae of the metal complexes. The molar conductance and electrochemical property indicates monomeric, neutral nature and redox properties of the metal co

APA, Harvard, Vancouver, ISO, and other styles

47

van der Velden, G. P. M., and J. Kelm. "Quantitative Analysis of Vulcanized SBR/EPDM Diblends. Magic Angle Spinning 13C-NMR Experiments at 80°C." Rubber Chemistry and Technology 63, no. 2 (1990): 215–22. http://dx.doi.org/10.5254/1.3538252.

Full text

Abstract:

Abstract A new quantitative expression has been derived in order to estimate the styrene-butadiene ratio from the 13C-NMR olefinic resonances. With the help of this expression, the cis-1,4, trans-1,4, vinyl-1,2, butadiene and styrene ratios could be determined. From the aliphatic region, subsequently, the ethylene and propylene contents could be determined and finally the SBR/EPDM blend ratio. From the 13C-solid-state-NMR spectrum, no evidence could be obtained for homo- or co-vulcanization. The 13C-NMR spectra of the blends are simply a co-addition of the 13C-NMR solution spectra of SBR and E

APA, Harvard, Vancouver, ISO, and other styles

48

Guo, Yang Zhen, Dong Mei She, Jun Ning, and Xiang Dong Mei. "Synthesis and Spectral Analysis of Benzene-d₆." Advanced Materials Research 1061-1062 (December 2014): 301–6. http://dx.doi.org/10.4028/www.scientific.net/amr.1061-1062.301.

Full text

Abstract:

The new method for synthesis of Benzene-d6 was discovered. In this process, [Cp*PMe3IrH3][OTf] was used as the catalyst at H/D exchange reaction between benzene and deuterium oxide. The prepared method was in an overall yield of 20% and chemical purity of 99.7%. The product contained stable isotopes at 98% enrichment. The MS spectra, 13C NMR, IR between benzene and benzene-d6 were discussed.

APA, Harvard, Vancouver, ISO, and other styles

49

Malloy, C. R., A. D. Sherry, and F. M. Jeffrey. "Analysis of tricarboxylic acid cycle of the heart using 13C isotope isomers." American Journal of Physiology-Heart and Circulatory Physiology 259, no. 3 (1990): H987—H995. http://dx.doi.org/10.1152/ajpheart.1990.259.3.h987.

Full text

Abstract:

13C-nuclear magnetic resonance (NMR) spectroscopy provides a new approach to the analysis of metabolic pathways, because it detects an interaction between adjacent 13C nuclei. Previous models of isotope distribution in the tricarboxylic acid cycle were designed for analysis of radioisotope data and did not consider the information provided by 13C-13C coupling. A mathematical model of the tricarboxylic acid cycle was developed that preserves all isotope isomer (isotopomer) information and yields simple relationships between 13C-NMR spectra of glutamate and metabolic parameters under steady-stat

APA, Harvard, Vancouver, ISO, and other styles

50

Kumar, Surendra, A. Idhayadhulla, Abdul Nasser, and J. Selvin. "Synthesis and antimicrobial activity of a new series 1,4-dihydropyridine derivatives." Journal of the Serbian Chemical Society 76, no. 1 (2011): 1–11. http://dx.doi.org/10.2298/jsc091127003k.

Full text

Abstract:

A series of 1,4-dihydropyridine derivatives (1a-g) were prepared from Hantzsch syntheses. The compounds (1a-g) were reacted with thiosemicarbazide to give the new series of compounds (2a-g). IR, 1H-NMR, 13C-NMR, mass spectral and elemental analysis confirmed the synthesized compounds. The synthesized compounds were also screened for their antimicrobial activity.

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!