In traditional Chinese medicine, the seeds of (L.) Willd. have been widely used for treatment of cough, skin diseases, diarrhea, fever, schistosomiasis, amoebic dysentery, and gastrointestinal problems, especially in the treatment of vitiligo for thousands of years in China. In this study, an effective, reliable, and accurate high-performance liquid chromatography diode array detector (HPLC-DAD) method was developed for quantitative analysis of 3 marker bioactive compounds and chemical fingerprint of the seeds of . Data corresponding to common peak areas and HPLC chromatographic fingerprints were analyzed by exploratory hierarchical cluster analysis (HCA) and principal component analysis (PCA) to extract information of the most significant variables contributing to characterization and classification of the analyzed samples. Based on variety and origin, the high-performance thin layer chromatography (HPTLC) method validated the chemical fingerprint results used to screen the in vitro antioxidant activity of . The results show that the developed method has potential application values for the quality consistency evaluation and identification of similar instant samples. When considered collectively, this research results provide a scientific basis for the improvement of standardization and specification of medicinal materials and provide a pathway for the development and utilization of references for the identification of herbs.
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http://dx.doi.org/10.1155/2020/8859425 | DOI Listing |
Sci Rep
January 2025
Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, 700 032, India.
We have adopted the classification Read-Across Structure-Activity Relationship (c-RASAR) approach in the present study for machine-learning (ML)-based model development from a recently reported curated dataset of nephrotoxicity potential of orally active drugs. We initially developed ML models using nine different algorithms separately on topological descriptors (referred to as simply "descriptors" in the subsequent sections of the manuscript) and MACCS fingerprints (referred to as "fingerprints" in the subsequent sections of the manuscript), thus generating 18 different ML QSAR models. Using the chemical spaces defined by the modeling descriptors and fingerprints, the similarity and error-based RASAR descriptors were computed, and the most discriminating RASAR descriptors were used to develop another set of 18 different ML c-RASAR models.
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January 2025
Eisai Co Ltd, Tsukuba Research Laboratories, JAPAN.
Marine natural products show a large variety of unique chemical structures and potent biological activities. Elucidating the target molecule and the mechanism of action is an essential and challenging step in drug development starting with a natural product. Odoamide, a member of aurilide-family isolated from Okinawan marine cyanobacterium, has been known to exhibit highly potent cytotoxicity against various cancer cell lines.
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January 2025
Institute of Chemistry, University of Miskolc, Miskolc-Egyetemváros, Miskolc, 3515, Hungary.
Aromatic π-complexes play a significant role in various chemical and biological systems, significantly influencing their physico-chemical and spectroscopic properties. The identification of new compounds capable of π-complex formation is therefore of great interest. The paper investigates the fluorescent properties of 1,5-diisocyanonaphthalene (1,5-DIN) in different aromatic solvents, demonstrating its potential for distinguishing between aromatics based on emission spectra.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Institute of Materials for Electronics and Energy Technology (i-MEET), Department of Materials Science and Engineering, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Martensstraße 7, 91058 Erlangen, Germany.
Inorg Chem
January 2025
School of Chemistry and Chemical Engineering, Nanchang University, Nanchang 330031, P. R. China.
Organic-inorganic hybrid lead halides have been extensively studied due to their outstanding physical properties and diverse compositional elements. However, environmentally benign tin-based hybrids with remarkable flexibility in bandgap engineering have been less investigated. Herein, we report the successful design and synthesis of three tin-based organic-inorganic hybrid compounds through precise molecular modification: [Me(i-Pr)N][SnBr] (), [MeCHCl(i-Pr)N][SnBr] (), and [MeCHBr(i-Pr-Br)N][SnBr] ().
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