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Marine Drugs ◽  
2022 ◽  
Vol 20 (1) ◽  
pp. 65
Author(s):  
Marcello Casertano ◽  
Massimo Genovese ◽  
Paolo Paoli ◽  
Alice Santi ◽  
Anna Aiello ◽  
...  

The chemical investigation of the Mediterranean ascidian Clavelina lepadiformis has led to the isolation of a new lepadin, named lepadin L, and two known metabolites belonging to the same family, lepadins A and B. The planar structure and relative configuration of the decahydroquinoline ring of lepadin L were established both by means of HR-ESIMS and by a detailed as extensive analysis of 1D and 2D NMR spectra. Moreover, microscale derivatization of the new alkaloid lepadin L was performed to assess the relative configuration of the functionalized alkyl side chain. Lepadins A, B, and L were tested for their cytotoxic activity on a panel of cancer cell lines (human melanoma [A375], human breast [MDA-MB-468], human colon adenocarcinoma [HT29], human colorectal carcinoma [HCT116], and mouse myoblast [C2C12]). Interestingly, a deeper investigation into the mechanism of action of the most cytotoxic metabolite, lepadin A, on the A375 cells has highlighted its ability to induce a strongly inhibition of cell migration, G2/M phase cell cycle arrest and a dose-dependent decrease of cell clonogenity, suggesting that it is able to impair self-renewing capacity of A375 cells.


Molecules ◽  
2021 ◽  
Vol 27 (1) ◽  
pp. 198
Author(s):  
Jing-Zhe Yuan ◽  
Yi-Ling Yang ◽  
Wei Li ◽  
Li Yang ◽  
Hao-Fu Dai ◽  
...  

Nine new sesquiterpenoids (1–9) were isolated from ethyl ether extract of agarwood originated from Aquilaria sp., including three novel sesquiterpenoids (1–3) derived from zizaane, together with six zizaane-type sesquiterpenoids (4–9). All structures were unambiguously elucidated based on 1D and 2D NMR spectra as well as by HRESIMS data. The absolute configuration of sesquiterpenoids was determined by comparison of the experimental and computed ECD spectra. In vitro anti-inflammatory assessment showed that compound 9 exhibited inhibition of NO production in LPS-stimulated RAW264.7 cells with an IC50 value of 62.22 ± 1.27 μM.


Marine Drugs ◽  
2021 ◽  
Vol 19 (12) ◽  
pp. 715
Author(s):  
Mohamed Shaaban ◽  
Khaled A. Shaaban ◽  
Gerhard Kelter ◽  
Heinz Herbert Fiebig ◽  
Hartmut Laatsch

Chemical investigation of the ethyl acetate extract from the marine-derived Streptomyces sp. isolate B1848 resulted in three new isoquinolinequinone derivatives, the mansouramycins E–G (1a–3a), in addition to the previously reported mansouramycins A (5) and D (6). Their structures were elucidated by computer-assisted interpretation of 1D and 2D NMR spectra, high-resolution mass spectrometry, and by comparison with related compounds. Cytotoxicity profiling of the mansouramycins in a panel of up to 36 tumor cell lines indicated a significant cytotoxicity and good tumor selectivity for mansouramycin F (2a), while the activity profile of E (1a) was less attractive.


2021 ◽  
Vol 9 ◽  
Author(s):  
Yu-pei Yang ◽  
Yu-qing Jian ◽  
Yong-bei Liu ◽  
Muhammad Ismail ◽  
Qing-ling Xie ◽  
...  

One new 3,4-seco-17,13-friedo-lanostane triterpenoid heilaohuacid A (1), one new 3,4-seco-17,14-friedo-lanostane triterpenoid heilaohuacid B (2), five new 3,4-seco-lanostane triterpenoids heilaohuacids C-D (3–4) and heilaohumethylesters A-C (7–9), one new 3,4-seco-cycloartane triterpenoid heilaohuacid E (5), and one new intact-lanostane triterpenoid heilaohuacid F (6), together with twenty-two known analogues (10–31), were isolated from heilaohu. Their structures were determined using HR-ESI-MS data, 1D and 2D NMR spectra, 13C NMR calculations, and electronic circular dichroism (ECD) calculations. Heilaohuacids A and B (1 and 2) contain a 3,4-seco ring A and unprecedented migration of Me-18 from C-13 to C-17 or C-14 to C-18. This type of lanostane triterpenoid derivatives was rarely reported so far. More importantly, all compounds against inflammatory cytokines IL-6 and TNF-α levels on LPS-induced RAW 264.7 macrophages were evaluated, and compounds 4 and 31 significantly inhibited the release level of IL-6 with IC50 values of 8.15 and 9.86 μM, respectively. Meanwhile, compounds 17, 18, and 31 significantly inhibited proliferation of rheumatoid arthritis-fibroblastoid synovial (RA-FLS) cells in vitro with IC50 values of 7.52, 8.85, and 7.97 μM, respectively.


2021 ◽  
Author(s):  
Javier Osorio ◽  
Victoria A. Arana ◽  
Jessica M. Medina ◽  
Rodrigo Alarcon ◽  
Edgar Moreno ◽  
...  

Abstract 715 green coffee samples were gathered by Almacafé S.A. (Bogotá, Colombia) between 2012 and 2014 from 27 different countries and analysed at the Nuclear Magnetic Resonance (NMR) laboratory at Universidad del Valle (Cali, Colombia). Over 1000 methanolic coffee extracts were prepared and a total of 4563 spectra were acquired in a fully automatic manner using a 400 MHz NMR spectrometer (Bruker Biospin, Germany). The dataset spans the variance that could be expected for an industrial application of origin monitoring, including samples from different harvest time, collected over several years and processed by at least two distinct operators. The resulting 1D and 2D spectra can be used to develop and evaluate feature extraction methods, multivariate algorithms and automation monitoring techniques, as a dataset for teaching, or as a reference for new studies on similar samples and approach.


Planta Medica ◽  
2021 ◽  
Author(s):  
Li-Juan Lang ◽  
Min Wang ◽  
Chang Lei ◽  
Yi Shen ◽  
Qi-Jie Zhu ◽  
...  

Phloridzin is a lead compound of the prestigious antidiabetic gliflozins. The present study found that phloridzin highly accumulated in Malus rockii Rehder. The content of phloridzin in M. rockii was the highest among wild plants, with the percentage of 15.54% in the dry leaves. The structure of phloridzin was revised by proton exchange experiments and extensive 2D NMR spectra. Phloridzin exhibited significant hypolipidemic activity in golden Syrian hamsters maybe by increasing the expression of CYP7A1, at the doses of 50 mg/kg and 200 mg/kg. The total performance of anti-hyperlipidemic effect of phloridzin may be superior to that of lovastatin, though lovastatin was more active than phloridzin. In addition, phloridzin exhibited moderate antimalarial activity with inhibition ratio of 31.3±10.9% at a dose of 25 mg/kg/day, and showed moderate analgesic activity with 28.0% inhibition at a dose of 50 mg/kg.


2021 ◽  
Vol 16 (9) ◽  
pp. 1934578X2110403
Author(s):  
Jing Qin ◽  
Da-Wei Kang ◽  
Xue-mei Zhang ◽  
Li-ling Mo ◽  
Ying-dong Zhang ◽  
...  

1-Hydroxymethyl goshuyuamide II (1), a new derivative of evodiamine with a quinazolinocarboline skeleton, along with nine known evodiamine derivatives were isolated from the dried and nearly ripe fruits of Tetradium ruticarpum (A. Jussieu) T. G. Hartley using several different chromatographic separations. Their structures were elucidated on the basis of extensive spectroscopic techniques, including 1D and 2D NMR spectra. Putative biosynthetic pathways toward 1 are proposed. Compounds 1 and 2 and 4 to 10 exhibited cytotoxic activity against six human tumor lines, and compounds 4 and 7 to 10 exhibited moderate inhibitory activity against nitric oxide production in LPS-activated RAW264.7 cells.


Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4914
Author(s):  
Xia Wang ◽  
De-Fu Hong ◽  
Gui-Lin Hu ◽  
Zhong-Rong Li ◽  
Xing-Rong Peng ◽  
...  

Nuclear magnetic resonance (NMR) spectroscopy was used for the qualitative and quantitative analysis of aqueous extracts of unroasted and roasted coffee silverskin (CS). Twenty compounds were identified from 1D and 2D NMR spectra, including caffeine, chlorogenic acid (CGA), trigonelline, fructose, glucose, sucrose, etc. For the first time, the presence of trigonelline was detected in CS. Results of the quantitative analysis showed that the total amount of the main components after roasting was reduced by 45.6% compared with values before roasting. Sugars in the water extracts were the main components in CS, and fructose was the most abundant sugar, its relative content accounting for 38.7% and 38.4% in unroasted and roasted CS, respectively. Moreover, 1D NMR combined with 2D NMR technology shows application prospects in the rapid, non-destructive detection of CS. In addition, it was observed by optical microscopy and scanning electron microscopy (SEM) that the morphology of CS changed obviously before and after roasting.


Marine Drugs ◽  
2021 ◽  
Vol 19 (8) ◽  
pp. 457
Author(s):  
Joana D. M. de Sá ◽  
José A. Pereira ◽  
Tida Dethoup ◽  
Honorina Cidade ◽  
Maria Emília Sousa ◽  
...  

Previously unreported anthraquinone, acetylpenipurdin A (4), biphenyl ether, neospinosic acid (6), dibenzodioxepinone, and spinolactone (7) were isolated, together with (R)-6-hydroxymellein (1), penipurdin A (2), acetylquestinol (3), tenellic acid C (5), and vermixocin A (8) from the culture of a marine sponge-associated fungus Neosartorya spinosa KUFA1047. The structures of the previously unreported compounds were established based on an extensive analysis of 1D and 2D NMR spectra as well as HRMS data. The absolute configurations of the stereogenic centers of 5 and 7 were established unambiguously by comparing their calculated and experimental electronic circular dichroism (ECD) spectra. Compounds 2 and 5–8 were tested for their in vitro acetylcholinesterase and tyrosinase inhibitory activities as well as their antibacterial activity against Gram-positive and Gram-negative reference, and multidrug-resistant strains isolated from the environment. The tested compounds were also evaluated for their capacity to inhibit biofilm formation in the reference strains.


2021 ◽  
Vol 63 (2) ◽  
pp. 3-6
Author(s):  
Tran Duc Dai ◽  
◽  
Dao Duc Thien ◽  
Nguyen Thanh Tam ◽  
◽  
...  

Four flavone glycosides including apigenin 7-O-β-glucoside (1), chrysoeriol 7-O-β-glucoside (2), rhoifolin (3), and 3′-methoxyapiin(4) were isolated from the n-butanol extract of the whole plant Uraria crinita collected in the phu Tho province, Vietnam. Their structures were elucidated by 1D- and 2D-NMR spectra and compared with those reported in the literature. Compounds 1-3 were obtained from the genus Uraria for the first time.


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