scholarly journals Correlation Spectroscopy (COSY), Exclusive Correlation Spectroscopy (ECOSY), Total Correlation Spectroscopy (TOCSY), Incredible Natural-Abundance Double-Quantum Transfer Experiment (INADEQUATE), Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC), Heteronuclear Multiple-Bond Correlation Spectroscopy (HMBC), Nuclear Overhauser Effect Spectroscopy (NOESY) and Rotating Frame Nuclear Overhauser Effect Spectroscopy (ROESY) Comparative Study on Malignant and Benign Human Cancer Cells and Tissues Under Synchrotron Radiation

2018 ◽  
Vol 6 (4) ◽  
Author(s):  
Alireza Heidari
Keyword(s):  
Nuclear Overhauser Effect ◽  
Human Cancer ◽  
Multiple Bond ◽  
Correlation Spectroscopy ◽  
Double Quantum ◽  
Heteronuclear Multiple Bond Correlation ◽  
Human Cancer Cells ◽  
Overhauser Effect ◽  
Heteronuclear Single Quantum Correlation ◽  
Nuclear Overhauser

The isolation and structural elucidation of a new iridoid glycoside from Cymbaria dahurica L.

2018 ◽  
Vol 73 (6) ◽  
pp. 377-379 ◽  
Author(s):  
Cui-Lan Bai ◽  
Qing-Hu Wang ◽  
Yan-Hua Xu ◽  
Jun-Sheng Han ◽  
Yin-Ping Bao
Keyword(s):  
Quantum Coherence ◽  
Nuclear Overhauser Effect ◽  
Multiple Bond ◽  
2D Nmr ◽  
Iridoid Glycoside ◽  
Correlation Spectroscopy ◽  
Etoac Extract ◽  
Overhauser Effect ◽  
Nuclear Overhauser ◽  
C Nmr

AbstractA new iridoid glycoside, namely, cymdahoside A (1), together with two known ones, 2 and 3, were isolated from the EtOAc extract of Cymbaria dahurica. The structure elucidation of 1 was carried out by one-dimensional (1D) NMR (1H and 13C NMR) and 2D NMR (correlation spectroscopy, heteronuclear single-quantum coherence, heteronuclear multiple-bond correlation and nuclear Overhauser effect spectroscopy) spectral analyses.

scholarly journals Synthesis, NMR Characterization, and Antileukemic Activity of N-Nonanoylpiperazinyl-5α-Androstane-3α,17β-Diol A-Ring Derivatives

2020 ◽  
Vol 7 (1) ◽  
pp. 3
Author(s):  
Donald Poirier ◽  
Imad Raad ◽  
Jenny Roy ◽  
René Maltais
Keyword(s):  
Multiple Bond ◽  
Correlation Spectroscopy ◽  
Heteronuclear Multiple Bond Correlation ◽  
Steroid Nucleus ◽  
New Family ◽  
Overhauser Effect ◽  
Nmr Characterization ◽  
Crucial Information ◽  
Heteronuclear Single Quantum Correlation ◽  
The Impact

The combination of an androstane-3,17-diol nucleus and a 2β-N-alkylamidopiperazino sidechain is important for the anticancer activity of a new family of steroid derivatives. As the structure-activity relationship studies have so far been limited to the beta orientation of the substituent at position 2 of the steroid nucleus, a series of analogs (compounds 1–4) were synthesized to investigate the impact on biological activity of A-ring substitution. Nuclear magnetic resonance (NMR) analysis, especially using a series of 2D experiments, such as correlation spectroscopy (COSY), homonuclear Overhauser effect spectroscopy (NOESY), heteronuclear single-quantum correlation (HSQC), and heteronuclear multiple-bond correlation (HMBC) provided crucial information that was found essential in confirming the sidechain position and orientation of compounds 1–4. Assessment of their antiproliferative activity on leukemia HL-60 cells confirmed the best efficiency of the 2β-sidechain/3α-OH orientation (compound 1) compared to the other configurations tested (compounds 2–4).

Revised structure of a delta-aminolevulinic acid derivative

1993 ◽  
Vol 39 (9) ◽  
pp. 1867-1871 ◽  
Author(s):  
M Kajiwara ◽  
K Hara ◽  
K Takatori ◽  
K Matsumoto
Keyword(s):  
Aminolevulinic Acid ◽  
Nuclear Overhauser Effect ◽  
Correlation Spectroscopy ◽  
Molecular Formula ◽  
X Ray ◽  
Overhauser Effect ◽  
13C Nuclear Magnetic Resonance ◽  
Relative Arrangement ◽  
Effect Difference ◽  
Nuclear Overhauser

Abstract The structure of the fluorescent derivative formed in the method of Okayama et al. (Clin Chem 1990; 36:1494-7) for determining delta-aminolevulinic acid (ALA) concentrations was reinvestigated after esterification. The molecular ion peak at m/z 303.1473 corresponded to the molecular formula of C17H21NO4 (calcd 303.1470). The infrared spectrum showed the presence of carbonyl and carboxyl groups. This compound contained two acetyl groups, two methyl groups, and one methoxycarbonylethyl group, as revealed by 1H and 13C nuclear magnetic resonance and 13C-1H shift-correlated spectroscopy. Experiments with correlation spectroscopy via long-range coupling indicated that the main skeleton is 3H-pyrrolizine. The relative arrangement of functional groups was determined by means of nuclear Overhauser effect difference experiments. We were led to the conclusion that the methyl ester of the derivative is 2,6-diacetyl-1,5-dimethyl-7-(2-methoxycarbonylethyl)-3H-pyrrolizine. This structure was unequivocally confirmed by x-ray analysis; therefore, the structure of the derivative itself is 2,6-diacetyl-1,5-dimethyl-7-(2-carboxyethyl)-3H-pyrrolizine.

scholarly journals CARACTERIZACIÓN DE UNA ESPIROLACTONA SESQUITERPÉNICA á-METILÉNICA OBTENIDA DE Ambrosia arborescens Miller Y EVALUACIÓN DE SU ACTIVIDAD BIOLÓGICA EN Tripanosoma cruzi

2014 ◽  
Vol 80 (2) ◽  
pp. 124-135
Author(s):  
Teresa Cano de Terrones
Keyword(s):  
Quantum Correlation ◽  
Multiple Bond ◽  
Correlation Spectroscopy ◽  
Single Quantum ◽  
Heteronuclear Multiple Bond Correlation ◽  
Heteronuclear Single Quantum Correlation ◽  
América Del Sur

Ambrosia arborescens Miller, denominada comúnmente "marco"; es una planta aromática, medicinal que se encuentra en América del Sur, mayormente en los Andes del Perú, en el Departamento de Arequipa. El estudio de los constituyentes químicos de la parte aérea de Ambrosia arborescens permitió obtener una espirolactona sesquiterpénica. Para su separación y aislamiento se utilizó métodos cromatográficos de columna, capa fina y cromatografía líquida de alta eficacia. La elucidación estructural se realizó a través de métodos espectroscópicos: resonancia magnética nuclear protónica (RMN-1H), del carbono-13 (RMN-13C), espectroscopía infrarroja (IR) y espectrometría de masas (EM). En la determinación de la estereoquímica y las conformaciones se empleó experimentos bidimensionales de espectroscopía: COSY (Correlation Spectroscopy), HSQC (Heteronuclear Single Quantum Correlation), HMBC (Heteronuclear Multiple Bond Correlation) y ROESY(Rotational nuclear Overhouser Effect Spectroscopy). Desde un punto de vista teórico, el análisis conformacional fue realizado a través de Mecánica Molecular empleando el programa MM2 de Hyperchem. La evaluación de la actividad antiparasitaria, in vitro, sobre Tripanosoma cruzi, mostró que a muy bajas concentraciones, el producto obtenido presenta actividad tripanocida.

Structural characterization, by two-dimensional NMR spectroscopy and fast-atom-bombardment mass spectrometry, of a highly acylated trirhamnoside from Mezzettialeptopoda (Annonaceae)

1990 ◽  
Vol 68 (7) ◽  
pp. 1044-1050 ◽  
Author(s):  
Donald A. Powell ◽  
William S. York ◽  
Herman van Halbeek ◽  
Joseph T. Etse ◽  
Alexander I. Gray ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Fast Atom Bombardment ◽  
Multiple Bond ◽  
Stem Bark ◽  
Correlation Spectroscopy ◽  
Double Quantum ◽  
Two Dimensional ◽  
Complex Carbohydrate ◽  
Heteronuclear Multiple Bond Correlation

The structure of Mezzettiaside 3, a highly acylated trisaccharide obtained from the stem bark of Mezzettialeptopoda, was determined by a combination of double-quantum-filtered {1H,1H} correlation spectroscopy, two-dimensional homonuclear Hartmann–Hahn, and 1H-detected {1H,13C} one-bond and multiple-bond shift correlation nuclear magnetic resonance experiments, in conjunction with fast-atom-bombardment mass spectrometry. Mezzettiaside 3 was found to be the α-(n-octyl)glycoside of 3,4-di-O-acetyl-L-rhamnopyranosyl-α(1 → 3)-2,4-di-O-acetyl-L-rhamnopyranosyl-α(1 → 3)-4-O-hexanoyl-L-rhamnopyranose. The heteronuclear multiple-bond correlation NMR technique proved to be invaluable in establishing the location of the O-acyl groups in this complex carbohydrate. Keywords: oligosaccharide, HMBC, HMQC, HOHAHA, FAB-MS.

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