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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2025 · IF 3.1

Machine learning-assisted classification and adulteration detection of fatty oils using fatty acid profiles obtained via supercritical fluid chromatography

Yue-Mei Zhao,Zi-Ying Wang,Zhen Liu,Minmin Xue,Yao-Zuo Yuan,Hai-Wei Shi

Fatty oils are essential in the pharmaceutical field for enhancing the solubility and oral bioavailability of drugs, as well as reducing the risk of cardiovascular diseases. Consequently, detecting adulteration in specific fatty oils is critical to ensuring pharmaceutical quality and safety. In this study, we present a rapid method for classifying and detecting adulteration that combines supervised machine learning (ML) with supercritical fluid chromatography-mass spectrometry (SFC-MS). SFC MS was employed to analyze and establish data for 14 free fatty acids (FFAs) in five common fatty oils. Three different ML models were successfully utilized to identify these five fatty oils. Furthermore, the FFA composition of 45 mixed fatty oils with varying adulteration ratios was rapidly identified using the same models, among which the random forest (RF) algorithm demonstrated exceptionally high accuracy (100 %) by correctly classifying all samples. By integrating ML with FFA analysis, this study provides valuable insights for the rapid identification and detection of adulteration in fatty oils.

研究领域: 药学 · 分析化学 · 食品科学
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JOURNAL OF SUPERCRITICAL FLUIDS · 2021 · IF 4.577

Modelling of continuous supercritical fluids extraction to recover fatty and volatile oil from Traditional Chinese Medicinal materials

Jia Jingfu,Shi Qinglong,Qing Chengyuan,Zhang yue,Zhou dan,Ge Fahuan

Several classical Chinese herbal materials (CHMs) were extracted using continuous supercritical fluid extraction (CSFE), a newly developed technology to further elevate the efficiency of traditional batch supercritical fluid extraction (SFE). A mathematical model was established to describe CSFE process and predict the optimal switching times. The results showed that the total extraction times of Ganoderma lucidum spores (S- GL ), Juglans regia seeds, Zingiber officinale rhizoma and Citrus reticulata pericarp by CSFE were 55.2%, 40.3%, 55.5% and 36.0% lower than those by batch SFE, respectively. Furthermore, mathematical predictions could further help to improve the extraction efficiency and make full utilization of CHMs. When using the calculated optimal switching times, the total extraction rate of CSFE kept constant at the maximum value. Qualities of CHMs extracts had no significant difference between batch SFE and CSFE. The mathematical model of CSFE can be used to guide the extraction of active ingredients from CHMs.

CAS / MDL: 75-05-8 110-54-3
研究领域: 药学 · 植物化学
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BIORESOURCE TECHNOLOGY · 2022 · IF 11.889

Enhanced direct interspecies electron transfer and methane production during anaerobic digestion of fat, oil, and grease by coupling carbon-based conductive materials and exogenous hydrogen

Xia He,Weijia Xu,Jian Lu,Jun Wu,Zhenyu Guo,Xuerui Wei,Chun Wang

To investigate the combination of carbon-based conductive materials and exogenous hydrogen (EH 2 ) on methane recovery from fat, oil, and grease (FOG), granular activated carbon (GAC) and carbon cloth (CC) were chosen to collaborate with EH 2 , resulting in increased methane production by 59 % and 84 %, respectively. Further digestion of long chain fatty acids (LCFAs) confirms that enhanced direct interspecies electron transfer (DIET) was achieved in the reactors with GAC/CC + EH 2 than those with GAC/CC only. Other evidences (such as increased microbial population and rapid degradation of volatile fatty acids) were found to support the role of GAC/CC + EH 2 in promotion of DIET. Significant change of microbial community was observed using GAC/CC + EH 2 , which was mainly attributed to the enrichment of electrogenic species (such as Spirochaetaceae , Syntrophomonas palmitatica , and Methanosaeta ), leading to some changes in metabolic pathways during acidogenesis and methanogenesis. Together, enhanced DIET was achieved by GAC/CC + EH 2 , thus improving the methane recovery from FOG.

CAS / MDL: 57-10-3
研究领域: 环境工程 · 微生物学 · 生物技术
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Separation Science Plus · 2025 ·Vol. 8 ·期 8 ·e70105 · IF 1.6

Optimization of the Fatty Oil Extraction Process of Sanzi Yangqin Decoction Based on Network Pharmacology and Quantitative LC-MS/MS Methods

Wenya Xu,Hailing Wang,Yan Sun,Haojie Li,Jue Song

The fatty oil in Sanzi Yangqin Decoction is a crucial medicinal ingredient found in this renowned traditional Chinese medicine formula for the treatment of chronic obstructive pulmonary disease (COPD). However, a disadvantage of the extraction process using the conventional decoction approach is the poor extraction rate. In this study, we employed network pharmacology to screen for active components for the treatment of COPD, and we optimized the extraction procedure of the fatty oil of Sanzi Yangqin Decoction with the Box–Behnken response surface test. Based on the single-factor experiment and the Box–Behnken response surface test, the liquid chromatography-triple quadrupole mass spectrometry method (LC-MS/MS) to measure these four components has been constructed with the extraction time, extraction temperature, and liquid-to-feed ratio as examining factors and the composite scores of the extracted amounts of the four components as examining indexes. According to the results of the study, luteolin, arachidonic acid, sinoacutine, and sinapine thiocyanate have been selected as the analytes for determining the fat oil content of Sanzi Yangqin Decoction. The most effective extraction conditions were 4.1 h, 92°C, and a liquid-to-feed ratio of 10:1 mL/g, which achieved a composite score of 85.1. The methodological analysis of the LC-MS/MS methodology demonstrated that the precision, repeatability, and sample recovery all proved effective, and the linear relationship was good within the range of the four constituents. The optimized Sanzi Yangqin Decoction fatty oil extraction process is reasonable and feasible. And the LC-MS/MS content determination method is simple, rapid, sensitive, and specific. This work introduces an innovative approach to examining the fatty oils in Sanzi Yangqin Decoction.

CAS / MDL: 541-15-1
研究领域: 中医药 · 药理学 · 分析化学 · 呼吸系统疾病 · 工艺优化 · 质谱分析
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BIORESOURCE TECHNOLOGY · 2021 · IF 9.642

Carbon-based conductive materials accelerated methane production in anaerobic digestion of waste fat, oil and grease

Xia He,Zhenyu Guo,Jian Lu,Ping Zhang

Little is known about the effect of carbon-based conductive material (CM) addition on the anaerobic co-digestion of fat, oil and grease (FOG) and waste activated sludge (WAS). In this study, three types of carbon-based CMs (nano-graphite (NG), granular activated carbon (GAC), and carbon cloth (CC)) and nine dosages were evaluated for their influences on co-digestion performance. The best dosage was achieved at 0.2 g/L NG, 10 g/L GAC, and 1 cm × 5 cm CC with 13–22% incremental methane production, 25–55% increased VS removal and 28–32% enhanced COD conversion efficiency compared to the control. The highest total amount of bacteria/archaea was found in CC (1 cm × 5 cm), followed by GAC at 10 g/L and NG at 0.2 g/L, which were all higher than those of the control. Microbial community analysis revealed that direct interspecies electron transfer (DIET)-mediated syntrophic acetate oxidation (SAO) enabling faster acetate conversion might be responsible for the enhancement of methane production.

研究领域: 环境工程 · 生物技术 · 微生物学
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