Marine Drugs
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2020
·Vol. 18
·期 10
·492
·
IF 4.073
Jiawen Zhao,Kening Jiang,Yixuan Chen,Juan Chen,Yangfan Zheng,Huilin Yu,Jiajin Zhu
Antarctic krill oil is high in nutritional value and has biological functions like anti-inflammation and hypolipidemic effects. But it has and unpleasant smell, and unsaturated fatty acids are prone to oxidative deterioration. Its high viscosity and low solubility in water make it difficult for processing. Microemulsion can be a new promising route for development of krill oil product. We determined a formula of krill oil-in-water microemulsion with krill oil: isopropyl myristate = 1:3 as oil phase, Tween 80:Span 80 = 8:2 as surfactant, ethanol as co-surfactant and the mass ratio of surfactant to co-surfactant of 3:1. After screening the formula, we researched several characteristics of the prepared oil-in-water microemulsion, including electrical conductivity, microstructure by transmission electron microscope and cryogenic transmission electron microscope, droplet size analysis, rheological properties, thermal behavior by differential scanning calorimeter and stability against pH, salinity, and storage time.Keywords:microemulsion;Antarctic krill oil;formula selection;characterization
研究领域:
食品科学
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生物化学
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产品关联
DOI
PubMed
高影响因子
PHARMACEUTICAL RESEARCH
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2025
·
IF 4.3
Lu Tianshu,Wu Yiyang,Xiong Ping,Zhong Hao,Ding Yang,Li Haifeng,Ouyang Defang
Objective Amorphous solid dispersion (ASD) is widely utilized to enhance the solubility and bioavailability of water-insoluble drugs. However, conventional experimental approaches for ASD development are often resource-intensive and time-consuming. Machine learning (ML) algorithms have great potential to predict ASD formulations but face the challenge of extensive data to construct reliable models. Current study aims to predict the formation of both binary and ternary ASD by combined high-throughput screening (HTS) and ML approaches. Methods Micro-quantity HTS was conducted to generate 1272 binary and ternary solid dispersions using solvent evaporation method. The Powder X-Ray Diffraction (PXRD) was used to characterize the amorphous state of formulations. The results indicated that 188 formulations successfully formed amorphous solid dispersions (ASDs), while 1084 resulted in crystalline formations. Models development employed nested cross-validation with four algorithms: Light Gradient Boosting Machine (LGBM), Random Forest (RF), Support Vector Machine (SVM), and Multi-Layer Perceptron (MLP). Results The RF model for ASD formation achieved 96.7% accuracy on the in-house HTS dataset, with a precision of approximately 87.9% and an F1 score of 83.6%. Furthermore, the RF model trained with milligram-scale HTS experimental data could effectively predict the large-scale ASD formulations from the literature, highlighting its promise as a powerful tool for advancing ASD prediction. Conclusion In summary, the combination of HTS experiments and ML techniques provides a valuable reference framework for ASD development, greatly minimizing both time and material usage in the selection of formulations during the early stages of drug discovery with a limited quantity of API. Graphical The workflow of this study involves a micro-quantity HTS experiment that generated over a thousand homogeneous data points for ML model development. The RF model demonstrated strong performance on a large-scale external dataset for ASD prediction, significantly saving time and material usage in formulation development, particularly during early drug discovery.
研究领域:
药学
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药物发现
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材料科学
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计算化学
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产品关联
DOI
PubMed
高影响因子
FOOD HYDROCOLLOIDS
·
2021
·
IF 9.147
Yue Pan,Lu Liu,Songfan Tian,Xiaodong Li,Muhammad Hussain,Chunmei Li,Lihong Zhang,Qiumei Zhang,Youbin Leng,Shilong Jiang,Shuyan Liang
In this study, we analyzed and compared the fat globule interfacial compositions and structures in human milk and three types of infant formulas (IF1: supplied with MFGM , IF2: without MFGM and soy lecithin , IF3: supplied with soy lecithin). The results suggested that the interfacial protein composition of IF1 was comparatively closer to human milk, but still lacked certain bioactive MFGM proteins including XO, ADPH and PAS6/7. Considering the interfacial phospholipid , we observed 23, 31, and 29 phospholipid species that could be used to distinguish human milk and infant formulas (IF1, IF2 and IF3). We also found that phosphatidylinositol (PI) and phosphatidylserine (PS), which can absorb lipase, phosphatidylethanolamine (PE), and phosphatidylcholine (PC) and connect functional fatty acids, were lacking in infant formulas. Moreover, the infant formulas had a smaller average particle size of 0.38 μm and a thicker interfacial layer that interacted with the casein micelles. Even if IF1 included MFGM, fat globules structures like those found in human milk did not form, and the majority of the MFGM was still in the aqueous phase in free form. Overall, the comprehensive analysis in this study could be used to simulate or mimic human milk lipids at the supramolecular level.
研究领域:
营养学
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食品科学
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生物化学
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DOI
高影响因子
Food Bioscience
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2020
·
IF 3.067
Liang Gao,Xinyi Cheng,Xuwei Yu,Xiaosan Wang,Qingzhe Jin,Xingguo Wang
1-Oleoyl-2-palmitoyl-3-linoleoylglycerol (OPL) is a critical structured lipid in human milk fat and it plays an important role in infants' health. The development of an efficient method for such compound preparation is necessary. In this study, one- and two-step methods for OPL production by enzymatic acidolysis of fractionated palm stearin with mixed acids were compared in solvent-free and solvent systems. The results demonstrated that in the solvent system, the OPL contents by the one- and two-step methods were 45.8% and 56.7%, respectively. In the solvent-free system, the one- and two-step methods resulted in the formation of 43.7% and 54.8% OPL, respectively. Subsequently, acidolysis conditions of the two-step method were optimized. Under the optimum conditions, the content of OPL was 57.7%, and 83.2% of palmitic acid was at the sn-2 position . The prepared OPL has potential to be applied in infant formulas.
研究领域:
食品科学
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生物化学
✓ 已验证
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2021
·
IF 4.952
Shihuan Li,Jinhui Li,Senwei Feng,Linlin Bian,Zhuoting Liu,Yunfang Ping,Xu Wang,Ann Van Schepdael
The presence of fatty acid esters of 3-monochloropropane-1,2-diol (3-MCPDE), 2-monochloropropane-1,3-diol (2-MCPDE) and glycidyl (GE) in foods is a potential concern due to their toxicity, especially for infants. This study proposed a rapid, sensitive and environmentally friendly method for simultaneous determination of the 3-/2-MCPDE and GE in breast milk and infant formula using headspace solid-phase microextraction (SPME) and on-fiber derivatization combined with gas chromatography-tandem mass spectrometry (GC-MS/MS). The approach proved high sensitivity with detection limits of 0.10 μg/L and 0.15 μg/kg for MCPDEs in breast milk and infant formula, respectively. Mean recoveries were obtained ranging from 79.9 to 111.2% for breast milk and from 82.1 to 106.7% for infant formula, with relative standard deviation (RSD) of less than 9.5%. According to the levels of 3-MCPDE and GE determined in 30 breast milk and 23 infant formulas, the exposure to 3-MCPDE and GE may pose a potential health risk for infants from birth to <12 months fed by breast milk and infants from birth to 6 months fed by infant formula.
研究领域:
食品安全
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分析化学
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毒理学
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产品关联
DOI
高影响因子
JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART B-PESTICIDES FOOD CONTAMINANTS AND AGRICULTURAL WASTES
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2019
·
IF 1.463
Kai Chen,Mao-Xi Huang,Qing-Cai Shi,Xin Xie,Lin-Hong Jin,Wei-Ming Xu,Xiang-Yang Li
Pheromones can be used as leafhopper attractants. However, commercial pheromone products, such as the Ingle lure, have certain limitations, including poor persistence in the field. In this study, (E)-2-hexenal, (Z)-3-hexen-1-ol, (Z)-3-hexenyl acetate, (E)-ocimene, linalool, and geraniol were selected and behaviorally tested as potential leafhopper attractants. Y-tube olfactometer tests showed that the C2 formulation was more effective than other formulations. In tea field trials, the number of leafhoppers caught by sticky board traps baited with C2 lures was greater than that caught by treatment. The number of leafhoppers attracted by the C2 lures was greater than that attracted by the commercial Ingle lures. Additionally, the total amount of active C2 components on lures was greater than that of the active components on the lure after 14 days. Thus, the results indicated that the C2 formulation may attract leafhoppers and have a greater persistence than other formulations in tea field.
研究领域:
昆虫学
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农业科学
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2019
·
IF 3.714
Xiaosan Wang,Cong Jiang,Wendi Xu,Zhicheng Miu,Qingzhe Jin,Xingguo Wang
Structured triacylglycerols (TAGs), rich in 1,3-dioleoyl-2-palmitoylglycerol (OPO) and 1-oleoyl-2-palmitoyl-3-linoleoylglycerol (OPL), were prepared by enzymatic acidolysis of fractionated palm stearin with free fatty acids . The effects of enzyme type, substrate molar ratio, enzyme load, temperature, and reaction time on the yields of OPO and OPL, palmitic acid (PA) content at the sn- 2 position of TAG, and the percentage of PA at the sn- 2 position relative to total PA content were investigated. Under optimal reaction conditions (palm stearin/oleic acid/linoleic acid molar ratio of 1:8:4, lipase NS 40086 loading of 8%, 60 °C, 4 h), the combined yields of OPO and OPL was 69.26%, PA content at the sn- 2 position reached 87.75%, and the relative percentage of PA at the sn- 2 position was up to 71.07%. The synthesized TAGs have potential to be used in infant formulas.
研究领域:
食品科学
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生物化学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
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2022
·
IF 9.231
Zhengchao Shen,Xin Ma,Muhammad Mujahid Ali,Jiang Liang,Haixia Sui,Zhenxia Du
Herein, a modified indirect method was established for the determination of 3-monochloropropane-1,2-diol esters (3-MCPDEs) and glycidyl esters (GEs), employing magnetic solid phase extraction by boronic acid-functionalized magnetic nanoparticles to replace the traditional clean-up procedure. Compared with routine methods, it has been proved to be more sensitive with limits of detection in the range of 0.02–1.5 μg/kg and less susceptible to contamination of phenylboronic acid derivatives and fatty acid methyl esters. The proposed method was applied to analyze 42 samples covering the entire infant formula (IF) production chain. Results revealed that homogenization process contributed 79–91 % of the total growth of the contaminants due to the vegetable oil addition, while the following evaporation and spray-drying processes contributed 9–21 % of the total growth owing to involved heat treatment. The GE levels in final IF products exceeded the maximum level set by EU regulation 2020/1322, indicating quality safety concerns in the production chain.
研究领域:
食品安全
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分析化学
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营养学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2025
·
IF 4.6
Bochen Wei,Fengxia Zhang,Mengyu Wang,Shaobo Li,Muhammad Qamer Abbas,Yuping Wan,Zhenxia Du
To reduce the differences in phospholipids (PLs) of human milk and infant formula, PL-rich raw materials and finished milk powder from the infant formula production line were collected and the phospholipids profiles of raw materials were systematically analyzed by LC-Q-TOF based on phospholipid omics. 108 phospholipids were detected in infant formula, 73 of which were common to human milk, the content of the different phospholipid molecules varied. For the production of raw materials, whey protein concentrate and arachidonic acid powder have the most similar structure to human milk. By varying the ratio of each ingredient, formula can be made closer to human milk. The particle swarm optimization (PSO) algorithm was applied for the optimization of the ratio of raw materials to closely mimic the human milk. Based on the optimized ratio, the optimized formulas were prepared. PCA analysis proved that the optimized formulas were highly effective in mimicking human milk.
研究领域:
营养学
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生物化学
✓ 已验证
产品关联
DOI
高影响因子
PROPELLANTS EXPLOSIVES PYROTECHNICS
·
2021
·Vol. 46
·期 8
·1216-1226
·
IF 1.887
Shuang Xu,Ai-Min Pang,Zhuo Wu,Hai-Tao Li,Wei Li,Jie Kong
Two types of bonding agents were synthesized based on polyetheramines (PEAs), which aim to increase the strain of AP/CL-20/GAP formulation. The PEAs, terminated with cyano (CTPEA) and Schiff base (SBPEA) groups, were applied in the AP/CL-20/GAP formulation, respectively. The results showed that the bonding agents TCN-403 (CTPEA) and TBA-403 (SBPEA), which were prepared from trifunctional PEA named as T-403, could significantly increase the maximum elongation ratio of the formulation. The differences between the TCN-403 and TBA-403 were analyzed by DMA of the formulations, SEM of the coated fillers, and in-situ tensile test, indicating that the Schiff base bonding agents can effectively inhibit the dewetting of the binder from the solid particles in the formulations.
研究领域:
材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
Innovative Food Science & Emerging Technologies
·
2023
·
IF 6.6
Muhammad Hussain,Yue Sun,Yue Pan,Lu Liu,Xiuxiu Zhang,Qi Wang,Shuang Lin,Abdul Qayum,Kifayat Hussain,Xiaodong Li
Fatty acids content in walnut oil was investigated and compared with human milk, infant formula (IF) and animal milk (AM), then subjected to in-vitro digestion. Walnut oil (80.04 mg/g) and Human milk (73.11 mg/g) were comprised of unsaturated fatty acids , while AM (52.23 mg/g) and IF (40.50 mg/g) were significantly lower in unsaturated fatty acids. Confocal micrographs and particle size showed complete digestion of walnut oil-based infant formula (IFW) than AM and IF. Total fatty acid released during in-vitro digestion in different samples was IFW (2563.26 μmol/g fat), HM (2420.38 μmol/g fat), AM (1863.70 μmol/g), and in IF (3001.20 μmol/g). In IFW and HM, C18:2n6c was the highest single fatty acid released, with 47% and 40%, respectively, which was substantially different from AM and IF. Our research findings might help design an infant formula closer to human milk.
研究领域:
营养学
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食品科学
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儿科
✓ 已验证
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2019
·
IF 3.571
Wei Wei,Jie Yang,Dan Yang,Xiangyu Wang,Zhenyu Yang,Qingzhe Jin,Manyi Wang,Jianqiang Lai,Xingguo Wang
We compared phospholipids (PLs), PL fatty acid (FA) composition, and milk fat globule size and structure in human milk (n = 120) from mothers of full-term and preterm infants during lactation (colostrum, transition, 1 mo, 2 mo, and 3 mo) and 8 brands of infant formulas. The absolute quantification of PLs was analyzed using 31P NMR spectroscopy. Sphingomyelin was the dominant PLs (35.01 ± 3.31%) in human milk, whereas phosphatidylcholine and phosphatidylethanolamine were the dominant PLs in infant formulas. The PL content in preterm milk increased during lactation, whereas that in term milk remained stable. Saturated FAs (mainly 16:0 and 18:0) were the most abundant (>60%) PL FA in both preterm and term milk and increased throughout lactation. The mean diameter of milk fat globules in infant formulas was much smaller than that found in human milk (200 nm vs 5.63 μm). Significant differences were observed between human milk and infant formulas with regard to PLs, suggesting that more research is needed to mimic the PL profile in infant formulas.
研究领域:
营养学
·
生物化学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）