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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Yang, Min Zhou, Zhe Guo, De-an |
| Description | Country affiliation: China Author Affiliation: Yang M ( National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 501 Haike Road, Shanghai 201203, China.); Zhou Z ( ThermoFisher Scientific (China) Co., Ltd, No 6 Building, 27 Xinjinqiao Road, Shanghai 201206, China.); Guo DA ( National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 501 Haike Road, Shanghai 201203, China. Electronic address: daguo@simm.ac.cn.) |
| Abstract | Sulfurous compounds are commonly present in plants, fungi, and animals. Most of them were reported to possess various bioactivities. Isotopic pattern filter (IPF) is a powerful tool for screening compounds with distinct isotope pattern. Over the past decades, the IPF was used mainly to study Cl- and Br-containing compounds. To our knowledge, the algorithm was scarcely used to screen S-containing compounds, especially when combined with chromatography analyses, because the (34)S isotopic ion is drastically affected by (13)C2 and (18)O. Thus, we present a new method for a fine isotopic pattern filter (FIPF) based on the separated M + 2 ions ((12)C(x)(1)H(y)(16)O(z)(32)S(13)C2(18)O, (12)C(x+2)(1)H(y)(16)O(z+1)(34)S, tentatively named M + 2OC and M + 2S) with an ultra-high-resolution mass (100,000 FWHM @ 400 m/z) to screen sulfur derivatives in traditional Chinese medicines (TCM).This finer algorithm operates through convenient filters, including an accurate mass shift of M + 2OC and M + 2S from M and their relative intensity compared to M. The method was validated at various mass resolutions, mass accuracies, and screening thresholds of flexible elemental compositions. Using the established FIPF method, twelve S-derivatives were found in the popular medicinal used Pueraria species, and 9 of them were tentatively identified by high-resolution multiple stage mass spectrometry (HRMS(n)). The compounds were used to evaluate the sulfurous compounds' situation in commercially purchased Pueraria products. The strategy presented here provides a promising application of the IPF method in a new field. |
| File Format | HTM / HTML |
| ISSN | 00032670 |
| Volume Number | 894 |
| e-ISSN | 18734324 |
| Journal | Analytica Chimica Acta |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2015-09-24 |
| Publisher Place | Netherlands |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Discipline Analytical Discipline Chemistry Chemistry Techniques, Analytical Methods Isotopes Mass Spectrometry Plants, Medicinal Chemistry Pueraria Sulfur Analysis Algorithms Filtration High-throughput Screening Assays Molecular Structure Time Factors Journal Article Research Support, Non-u.s. Gov't |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Environmental Chemistry Analytical Chemistry Biochemistry |
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