FOOD CHEMISTRY
·
2020
·
IF 6.306
Tian-Qin Peng,Xiao-Li Yin,Hui-Wen Gu,Weiqing Sun,Baomiao Ding,Xian-Chun Hu,Li-An Ma,Shu-Dong Wei,Zhi Liu,Shi-Yi Ye
Laoshan green teas plucked in summer and autumn were measured by high performance liquid chromatography-diode array detector (HPLC-DAD). After baseline correction, the fingerprints data were resolved by multivariate curve resolution-alternating least squares (MCR-ALS) and a total of 57 components were acquired. Relative concentrations of these components were afterwards applied to distinguish plucking seasons using principal component analysis (PCA), support vector machines (SVM) and partial least squares-discriminant analysis (PLS-DA). For both SVM and PLS-DA models, the total recognition rates of training set, cross-validation and testing set were 100%, 91.3% and 100%, respectively. Besides, three variable selection methods were employed to determine characteristic components for the authentication of summer and autumn teas. Results showed that PLS-DA model based on three characteristic components selected by VIP possesses identical predictive ability as the original model. This study demonstrated that our proposed strategy is competent for the authentication of plucking seasons of Laoshan green tea.
研究领域:
分析化学
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食品科学
·
化学计量学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Foods
·
2023
·Vol. 12
·期 14
·2656
·
IF 5.2
Yanbin Wang,Dan Wu,Yingqi Wu,Xiaoqing Tong,Yuchuan Qin,Liling Wang
In order to study the effect of both greenhouse and forest cultivating environments onStropharia rugosoannulata, its volatile aroma compounds were measured by a headspace solid phase micro extractions—gas chromatograph—mass spectrometer (SPME–GC–MS). The optimal adsorption temperature was 75 °C and the optimal adsorption time was 40 min. A total of 36 volatile aroma compounds were identified by GC–MS, including 8 aldehydes, 2 ketones, 4 alcohols, 15 alkenes, and 4 alkanes. Hexanal, 3-Octanone, 2-Undecanone, (E)-Nerolidol, and (Z)-β-Farnesene made great aromatic contributions. Among them, Hexanal, 3-Octanone, 2-Undecanone were the key aroma compounds for which odor activity values (OAVs) were more than 1. (E)-Nerolidol showed odor modification in the forest samples and showed a key aroma effect in greenhouse samples. (Z)-β-Farnesene showed odor modification in greenhouse samples. 3-Octanone was the largest contributing compound for which the OAV was more than 60. The total content of volatile aroma compounds first increased and then decreased with growth time; it reached the highest level at 48 h: 2203.7 ± 115.2 μg/kg for the forest environment and 4516.6 ± 228.5 μg/kg for the greenhouse environment. The aroma was the most abundant at this time. All samples opened their umbrella at 84 h and become inedible. Principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal partial least squares discriminant analysis (OPLS–DA) were combined to analyze the aroma difference ofS. rugosoannulataunder two cultivation modes. PCA and HCA could effectively distinguish the aroma difference in different growth stages. Under different culturing methods, the aroma substances and their changes were different. The samples were divided into two groups for forest cultivation, while the samples were divided into three groups for greenhouse cultivation. At the end of growth, the aroma ofS. rugosoannulatawith the two cultivation modes was very similar. OPLS–DA clearly distinguished the differences between the two cultivation methods; 17 key aroma difference factors with variable importance projection (VIP) > 1 were obtained from SPLS–DA analysis.Keywords:Stropharia rugosoannulata;cultivation mode;volatile aroma compounds;mushroom;gas chromatography—mass spectrometry
研究领域:
食品科学
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分析化学
·
真菌学
✓ 已验证
DOI
PubMed
高影响因子
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
·
2022
·
IF 1.193
Yan-Qi LI,Chang-Xin HUANGFU,Lan-Xiu NI,Liang FENG
In this work, a novel colorimetric sensor array based on ratiometric indicator-displacement assay has been developed for the recognition and semi-quantitative detection of tetracycline, oxytetracycline, chlortetracycline, and doxycycline. The sensor array was fabricated by various combinations of 5 indicators and 3 metal cations. Based on the difference of complex stability constant, the competitive binding between metal cations with tetracyclines and indicators resulted in different color recovery of indicators through indicator-displacement reaction. By adjusting the concentrations of metal cations, the discrimination of tetracyclines has been achieved on as-fabricated sensor array and the lowest concentration for discrimination of tetracyclines could be 1 μmol/L, which was similar to those sensor arrays based on fluorescent nanomaterials. Meanwhile, the color difference between tetracyclines has been further enlarged by color overlaying of complexes of tetracyclines and metal cations, which enriched the distinguish capability of the sensor array and promised the discrimination ability for tetracyclines with various concentrations. Hierarchical clustering analysis (HCA) and principal component analysis (PCA) demonstrated that the colorimetric sensor array has an excellent capability to discriminate tetracyclines at different concentrations from potential interferants. The detection range for tetracyclines was 1–50 μmol/L and the limit of recognition for tetracyclines was 1 μmol/L with the colorimetric sensor array. Finally, this colorimetric sensor array was successfully applied for tetracyclines differentiation in real samples.
研究领域:
分析化学
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传感器技术
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药物分析
·
比色测定
✓ 已验证
产品关联
DOI
高影响因子
Analytical Methods
·
2025
·
IF 2.6
Suxuan Li,Ningyang Mao,Cong Chen,Hui Zhao,Xiaoyu Chen,Liusheng Wang,Fuyun Cui,Wenning Feng,Zhiyong Wu
This study employed headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) technology combined with multivariate statistical analysis methods to analyze the flavor compounds in flue-cured tobacco from five different regions in China: Henan, Hunan, Yunnan, Chongqing, and Fujian. A total of 98 volatile aroma compounds were identified through HS-GC-IMS analysis, including esters, ketones, aldehydes, acids, alcohols, heterocyclic compounds, sulfur-containing compounds, other types of compounds, and 8 uncharacterized compounds. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) were utilized to conduct dimensionality reduction and distinguish the samples, effectively recognizing differences in volatile compounds among tobacco leaves from various origins. A Random Forest (RF) classification model was constructed, and its reliability was validated through ROC (Receiver Operating Characteristic) analysis, achieving an AUC (Area Under the Curve) value of 0.980, which demonstrates exceptional predictive performance. PCA revealed distinct separations of tobacco leaf samples from different regions on the PCA score plot, and OPLS-DA analysis further validated these differences and confirmed the model's validity through permutation testing. Twenty key aroma compounds with VIP > 1.0 were screened by integrating OPLS-DA with the Random Forest classification model. These compounds showed significant differences in content among different samples, suggesting their potential as chemical markers for distinguishing the origin of flue-cured tobacco. This study not only provides a new method for identifying volatile compounds in tobacco but also offers novel insights into the geographical identification of flue-cured tobacco.
研究领域:
分析化学
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食品科学
·
植物学
·
化学计量学
·
农业科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xueli Chen,Haoyue Liu,Cong Li,Yujuan Xu,Baocai Xu
To clarify the characteristic aroma compounds and flavor discrepancies of five Chinese typical pig species, headspace-solid phase microextraction gas chromatography–olfactometry-mass spectrometry (HS-SPME/GC-O-MS), electronic nose (E-nose), aroma recombination and omission experiments were used to analyze the characteristic aroma and boundary of five boiled pork. A total of 38 volatile compounds were identified, of which 14 were identified as important odorants with odor-activity values (OAVs) greater than 1. Aroma recombination and omission experiments revealed 8 key characteristic aroma compounds, which significantly contributed to the overall aroma. Sensory evaluation of the recombination model with the 8 aroma compounds scored 3.0 to 4.0 out of 5 points. 12 potential markers were identified to distinguish by principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), including (E)-2-octenal, 3-ethyl-2-methyl-1,3-hexadiene, (E)-2-heptenal, 2-pentylfuran, cyclooctanol, 1-heptanol, sec -butylamine, D-limonene, N-vinylformamide, 2,3-octanedione, 2-ethylfuran and 3-pentanamine. Alongside benzaldehyde and pentanal, the combinations and fluctuations of these 14 aroma markers were proposed to constitute the aroma boundaries of different pork breeds. The aroma-active substances were able to effectively differentiate different breeds.
研究领域:
食品科学
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分析化学
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农学
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感官科学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2021
·
IF 7.514
Yufei Yang,Shudong He,Yi Zhang,Xingjiang Li,Haiyan Liu,Qiming Li,Xiaodong Cao,Yongkang Ye,Hanju Sun
Ethanol protocol, two-step protocol and enzymatic extraction were used to extract prolamins from seven kidney beans ( P. vulgaris L.) compared with Osborne protocol. 70–80% (v/v) ethanol concentrations were beneficial to the extraction, and two-step protocol was conducive to higher prolamin content. Varied protein subunits were observed in electrophoresis profiles, and further differences in composition were identified by LC-MS/MS while potential functions were annotated. Stronger hydrophobicity was found with prolamins enrichment from light speckled kidney bean (LSKB), black speckled kidney bean (BSKB), and red kidney bean (RKB), which was negative correlation with α-helix content based on the principal component analysis (PCA). The crude prolamins from the two kinds of white kidney beans possessed higher sulfhydryl and exhibited better water holding capacity (WHC), while higher oil absorption capacity (OAC) was observed in LSKB, BSKB, and RKB. Compared with zein, kidney bean prolamins could be used as food packaging materials due to hydrophobicity.
研究领域:
食品科学
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植物科学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ACS Agricultural Science & Technology
·
2021
·
IF 0
Mi Li,Xiaoyu Xiao,Zhangsong Jiang,Haihui Tang,Lingling Rong,Tiao Zhang,Taijia Li,Cui Hu,Ligui Wu,Xiaoming Zou
Antibiotic resistance genes (ARGs) are emerging environmental pollutants, and the effect of both abiotic (e.g., anthropogenic pollutants such as sulfonamides (SAs)) and biotic (e.g., microbial community (taxonomy), mobile genetic elements (MGEs)) factors on the antibiotic resistome (collection of ARGs) has received much attention recently. In addition, function (e.g., CAZy, eggNOG and KEGG) is also an important biotic factor; however, how function correlates to ARGs and thus contributes to the antibiotic resistome remains ambiguous. This work explores the effect of sulfonamides (SAs) on ARGs and MGEs by a metagenomic analysis, a principal component analysis (PCA), and a nonmetric multidimensional scaling analysis (NMDS). Then, the work establishes a correlation between ARGs and function with a co-occurrence network and reveals the contribution and positive (negative)/direct (indirect) effect of taxonomy, MGEs, and function to the antibiotic resistome by variation partitioning analysis (VPA) and partial least-squares-path modeling (PLS-PM). The results show that the soil has diverse ARGs and several MGEs and SAs impose significant effects on them. Further, CAZy, eggNOG, and KEGG (including pathway and orthology) show strong and significant correlation with ARGs on the basis of the co-occurrence network; however, in our system it seems that only the KEGG pathway promotes the interpretation of ARGs and should be regarded as the priority function on considering the role of function in structuring the antibiotic resistome. This work reveals the importance and necessity of function as a biotic factor in shaping the antibiotic resistome in diverse resistome-related fields.
研究领域:
环境科学
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微生物学
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基因组学
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生态学
✓ 已验证
产品关联
DOI
FOOD CONTROL
·
2022
·
IF 6.652
Zilin Yue,Hong Lin,Xiu Fang,Ye Tian,Wenqian Yan,Jiayi Yao,Xiaohui Chen,Kaiqiang Wang
Rapid detection of marine fish freshness is of great importance, as aquatic products are susceptible to spoilage during storage. In this work, for the first time, the laser induced breakdown spectroscopy (LIBS) coupled with multivariable analysis was used for the rapid identification of the freshness of sea bass ( Lateolabrax japonicus ) without using of organic solvents. Results suggested that the principal component analysis (PCA) could accurately differentiate the sea bass samples stored for different days, and the three freshness grades (first-grade, second-grade, and spoilage) of sea bass were separately clustered together. The overall classification accuracy of partial least squares-discriminant analysis (PLS-DA) reached 91.50% ± 1.49% and 97.33% ± 1.90% for differentiating sea bass samples stored for different days, and authenticating different freshness grades, respectively. As storage period increased, the degradation of high-molecular-weight proteins and micromorphology changes were observed in fish muscles using SDS-PAGE and SEM, respectively. In addition, the laser energy absorbed by sea bass increased with the longer storage periods, as shown by the plasma temperature and plasma electron density. The present study demonstrated the capability of LIBS combined with chemometrics for the rapid and eco-friendly identification of marine fish freshness in the food supply chain.
研究领域:
食品科学
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分析化学
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光谱学
·
海洋生物学
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产品关联
DOI
高影响因子
JOURNAL OF FOOD BIOCHEMISTRY
·
2024
·Vol. 2024
·期 1
·3900785
·
IF 3.5
Wei Ren,Jian Xu,Yongping Zhang,Yanyan Miao,Yao Liu
The aim of this study is to investigate efficient, cost-effective, and high-quality drying technologies for Rosa roxburghii Tratt. Five drying methods—hot air drying (HAD), microwave drying (MD), vacuum drying (VD), microwave vacuum drying (MVD), and freeze vacuum drying (FVD), were employed to dry Rosa roxburghii Tratt. The study focused on evaluating drying characteristics, colors, texture and structure, and microstructure, as well as the content of active ingredients and antioxidant activity of Rosa roxburghii Tratt. The results of drying kinetics indicated that the Wang and Singh model was the most suitable for FVD, while the Page model was optimal for the other four drying methods. Rosa roxburghii Tratt subjected to HAD exhibited the highest energy consumption per unit but the lowest ΔE and the highest TFC. The microstructure of Rosa roxburghii Tratt under different drying methods was analyzed. Rosa roxburghii Tratt dried using MD experienced serious cell rupture, resulting in a large loss of active ingredients and the worst antioxidant ability, but it had the fastest drying rate. On the other hand, Rosa roxburghii Tratt dried under VD had the microstructure with the least pore space, leading to slower drying speed and the highest total polyphenol content. Rosa roxburghii Tratt dried using MVD had the least hardness and chewiness, with slightly better Δ E and active ingredient content compared to MD. FVD Rosa roxburghii Tratt took the longest time to dry, with the greatest Δ E difference, hardness, and chewiness, but it had the highest Vitamin C content and the most powerful antioxidant ability. Principal component analysis (PCA)–entropy weighting method was used to provide comprehensive scores for the different drying methods, with FVD, HAD, VD, MVD, and MD were 0.8107, 0.7037, 0.4499, 0.2746, and 0.0586 respectively. Through comprehensive analysis, we demonstrated that the quality of Rosa roxburghii Tratt obtained via FVD and HAD is satisfactory. Additionally, HAD is characterized by its economic efficiency and convenience, providing valuable insights for the industrial production of Rosa roxburghii Tratt drying.
研究领域:
食品科学
·
农业工程
·
采后技术
·
植物科学
✓ 已验证
产品关联
DOI
高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
·
2022
·
IF 9.221
Yanting Feng,Zewei Luo,Juan Wu,Zhijun Huang,Lu He,Yaqiang Feng,Xian Li,Xudong Zhang,Yonghui Tian,Yongxin Li,Yixiang Duan
Present DNA logic platforms mainly focused on distinguishing a specific kind of cancer cell from several other types of cell lines, while limited efforts have been paid to high-throughput recognition of cancer cells. A new DNA logic platform coupled with multivariate statistical analysis was developed to classify seven kinds of cancer cells. Four confined DNA circuits containing localized catalytic hairpin assembly (LCHA) and apurinic/apyrimidinic endonuclease 1 (APE1)-assisted circuits were conjugated to a protein of streptavidin (SA) for DNA logic platform. The mismatch minimizes the circuit leakage of the confined DNA circuits by inhibiting the incorrectly intramolecular structure switch. Benefitting from the spatial-confined effect, the DNA logic platform as a modified AND logic gate sensitively responded to the dual intracellular biomarkers, thereby generating strong dual fluorescent output signals in living cells. Based on the fluorescent cell imaging, multidimensional data collected from 50 individual cells were concatenated as a dataset for multivariate statistical analysis. Principal component analysis (PCA) shows distinct clustering among the seven kinds of cancer cell lines. A random forest algorithm obtained the specificity and sensitivity of 100%. Therefore, the DNA logic platform coupling with multivariate statistical analysis shows promising potential for cancer diagnosis and treatment.
研究领域:
生物技术
·
癌症生物学
·
分子生物学
·
生物信息学
✓ 已验证
DOI
高影响因子
Molecular Catalysis
·
2024
·
IF 3.9
Qiang Chen,Zhi-Pu Li,Xiao-Qiong Pei,Yan Liu,M. Qaiser Fatmi,Zhong-Liu Wu
Chiral epoxides are one of the most versatile building blocks in organic synthesis, but the asymmetric epoxidation of unfunctionalized terminal olefins remains a challenge. Na StyA is a styrene monooxygenase from Nocardia altamirensis that functions as an enantioselective epoxygenase for terminal olefins. To improve its robustness, we investigated over 50 mutants designed via evolutionary- and energy-based approaches, and successfully identified 18 beneficial mutations, which then led to a combinatorial mutant of TM18 with drastically enhanced thermostability and solvent tolerance while retaining excellent activity and enantioselectivity. Its turnover frequency and half-life at 50 °C were increased to 5- and 148-fold of the parental. In the epoxidation of terminal olefins, TM18 achieved high product yields of over 4-fold of the parental, and excellent enantiomeric excess of 99 % to >99 % ee. The analysis of trajectory data from molecular dynamics simulations further validated that the mutations in TM18 increased its local rigidity, as inferred by RMSF and PCA analyses and through novel salt bridges formation. Furthermore, TM18 displayed reduced residue cross-correlation motions. The combined effects of these mutations result in an overall improvement in the structural and dynamic thermostability of TM18.
研究领域:
生物技术
·
酶工程
·
分子生物学
·
化学工程
·
有机化学
✓ 已验证
产品关联
DOI
高影响因子
Frontiers in Plant Science
·
2022
·
IF 6.627
Chen Jiabao,Guo Long,Yang Guiya,Yang Aitong,Zheng Yuguang,Wang Lei
Ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS) and gas chromatography-mass spectrometry (GC-MS) were applied to analyze metabolites in perilla leaves (PLs) during its developmental process. In total, 118 metabolites were identified, including volatile and non-volatile compounds, such as terpenoids, sugars, amino acids, organic acids, fatty acids, phenolic acids, flavonoids, and others. Principal component analysis (PCA) indicated great variations of metabolites during PLs development. Clustering analysis (CA) clarified the dynamic patterns of the metabolites. The heatmap of CA showed that most of the detected metabolites were significantly accumulated at stage 4 which is the pre anthesis period, and declined afterwards. The results of the present study provide a comprehensive overview of the metabolic dynamics of developing PLs which suggested that pre anthesis period is the best harvest time for PLs.
研究领域:
植物科学
·
分析化学
·
植物化学
·
农业科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）