Combination of gas chromatography–mass spectrometry and mass spectral deconvolution for structural elucidation of an unusual C29-steroid detected in a complex sedimentary matrix

Finck, Yvan; Aydin, Nebahat; Pellaton, Caroline; Gorin, Georges E.; Gülaçar, Fazil O.

doi:10.1016/j.chroma.2004.08.004

Cited by 10 publications

(3 citation statements)

References 18 publications

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“…Based on the deconvolution criteria of AMDIS, it is clear that the difference in scan number (retention time) of overlapping peaks is a key parameter influencing the deconvolution capability. Finck et al 10. successfully extracted ‘purified’ spectra from an unusual steroidal hydrocarbon when there was a sufficient difference in scan number.…”

Section: Resultsmentioning

confidence: 99%

Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis

Zhang

Chong-jiu

2006

Rapid Comm Mass Spectrometry

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The effects of overlapping levels and concentration ratios of overlapping components, and of scan rates of the mass spectrometer, on the capability of the automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis were studied. To investigate the capability of AMDIS in removing interferences from the overlapping peaks, this system was applied to data files obtained from the gas chromatography/mass spectrometry (GC/MS) analysis of two overlapping (co-eluting) pesticides (beta-HCH and PCNB) in full scan mode. Differences in overlap levels, the concentration ratios of the two overlapping components and the scan rates of the instrument were studied. When the difference in scan number of overlapping compounds was equal to 1 scan, AMDIS incompletely extracted 'purified' mass spectra but as the difference increased to 3 or more scans, complete correct spectra could be extracted. The results also show that when the scan rate was in the range of 0.4-0.90 s/scan and the concentration ratios of the target compound/interference were above 1/5, there were ideal deconvolution results for this approach. To further study the application of AMDIS to pesticide residue analysis, AMDIS was applied to the identification of pesticides spiked in real samples (cabbage and rice). Typical pesticides being evaluated were identified using AMDIS at concentrations >50 ng/g in the extracts.

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Section: Resultsmentioning

confidence: 99%

Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis

Zhang

Chong-jiu

2006

Rapid Comm Mass Spectrometry

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“…The “non-aromatic hydrocarbon” fraction was dissolved in 50 µl of hexane before injection of a 1 µL aliquot. Automated Mass Spectral Deconvolution and Identification System software (AMDIS), version 2.1, provided by the National Institute of Standards and Technology (NIST, Gaithersburg, MD USA, web address: ) has been used for post-processing the MS data files [ 60 ].…”

Section: Methodsmentioning

confidence: 99%

Isolation and Structural Characterization of Bioactive Molecules on Prostate Cancer from Mayan Traditional Medicinal Plants

et al. 2018

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Prostate cancer is the most common cancer in men around the world. It is a complex and heterogeneous disease in which androgens and their receptors play a crucial role in the progression and development. The current treatment for prostate cancer is a combination of surgery, hormone therapy, radiation and chemotherapy. Therapeutic agents commonly used in the clinic include steroidal and non-steroidal anti-androgens, such as cyproterone acetate, bicalutamide and enzalutamide. These few agents have multiple adverse effects and are not 100% effective. Several plant compounds and mixtures, including grape seed polyphenol extracts, lycopene and tomato preparations, soy isoflavones, and green tea extracts, have been shown to be effective against prostate cancer cell growth. In vivo activity of some isolated compounds like capsaicin and curcumin was reported in prostate cancer murine models. We prepared a library of plant extracts from traditional Mayan medicine. These plants were selected for their use in the contemporaneous Mayan communities for the treatment of different diseases. The extracts were assessed in a phenotypic screening using LNCaP prostate cancer androgen sensitive cell line, with a fixed dose of 25 μg/mL. MTT assay identified seven out of ten plants with interesting anti-neoplastic activity. Extracts from these plants were subjected to a bioguided fractionation to study their major components. We identified three compounds with anti-neoplastic effects against LNCaP cells, one of which shows selectivity for neoplastic compared to benign cells.

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“…The characteristic base structure of bacteriohopanols. In our research group various research subjects including C 29 -steroid detection in complex sedimentary 4 , aromatic stereoids in recent sediments 5 , carboxylic acids 6 , sedimentary occurrence of chlorophyllone 7 , steryl chlorin esters 8 and tetrapyrolic pigments 9 have already been studied in detail with diver's sediment samples.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Hopanoid Biomarkers in Lake Sediments by GC‐MS and RP‐HPLC‐APCI‐MS

Belin

2008

Journal of Chemistry

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Hopanoids are mainly derived from bacteriohopanpolyols that occur especially in bacteria, show the importance of bacterial lipid contributions in geological materials. In this work, GC-MS and RP-HPLC-APCI-MS analyses of hopanoid biomarkers in oxic and anoxic sediment samples from Lake Cadagno (Swiss Alps) and Lake Voua de la Motte (Haute Savoie, France) are presented and discussed. Samples were ultrasonically extracted, fractionated by flush chromatography on silica gel and derivatised before the analyses. Periodic acid/ sodium borohydride cleavage was used to identify highly functionalised hopanoids

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Combination of gas chromatography–mass spectrometry and mass spectral deconvolution for structural elucidation of an unusual C29-steroid detected in a complex sedimentary matrix

Cited by 10 publications

References 18 publications

Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis

Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis

Isolation and Structural Characterization of Bioactive Molecules on Prostate Cancer from Mayan Traditional Medicinal Plants

Investigation of Hopanoid Biomarkers in Lake Sediments by GC‐MS and RP‐HPLC‐APCI‐MS

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