ANALYTICAL CHEMISTRY
·
2025
·
IF 6.7
Xingchun Zhai,Junjie Li,Weiwei Cheng,Xiaolu Li,Yongheng Zhang,Bingxue Cao,Junjie Wen,Ninghui Zhu,Da Wu,Tao Wang,Fuzhen Xuan,Guoyue Shi,Min Zhang
This study introduces a radial-hierarchical, diffusion-enhanced spatiotemporal sensing paradigm for volatile organic compound (VOC) analysis via an integrated microchamber paper-based chromatomimetic e-nose. The proposed system synergizes interlayer spatiotemporal dynamics with planar spatial variance by employing a radially symmetric electrode array and a hierarchical porous chemoresistive ink (CuP@G). This design leverages molecular diffusion gradients across the sensing plane, enabling precise discrimination of complex VOC mixtures through multidimensional “spatiotemporal fingerprints”. A physics-informed framework integrates molecular transport principles with multitask learning convolutional neural network (MTL-CNN) analytics, achieving unprecedented resolution in real-sample classification. Systematic validation demonstrates superior performance in discriminating diverse VOCs, binary mixtures, and authentic tobacco samples (origin and level classification accuracy: 92–99%). This work establishes a scalable blueprint for high-fidelity VOC analytics, bridging gas diffusion physics with intelligent signal processing to advance e-nose technology toward precision-driven design.
✓ 已验证
产品关联
DOI
PubMed
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.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2025
·Vol. 30
·期 17
·3474
·
IF 4.6
Baoshan Li,Ke Mo,Lipeng Zhou,Yanjun Wang,Yaping Li,Wei Zhang,Chenghao Zhu,Zhirong Sun
Gastrodiae Rhizoma(tianma, TM), a traditional medicine that has food and medicine homology, faces controversy over retaining its epidermis (tianma pi, TP) during processing due to unclear phytochemical value. This study presents the first integrated approach combining GC–IMS, UHPLC–MS, andCaenorhabditis elegans(C. elegans) aging models to compare TP with the tuber core (tianma xin, TX). The results include the following: (1) A total of forty-seven volatile compounds were identified by GC–IMS, including 12 key aroma substances via relative odor activity value (ROAV ≥ 1), of which seven ((Z)-4-heptenal, β-citronellol, hexanal, 1-pentanol, 1-octen-3-one, 2-methylpropanol, and 2-butanone) were enriched in TP. (2) Non-targeted metabolomics revealed 1025 metabolites via UHPLC–MS, highlighting phenylpropanoid biosynthesis as the primary differential pathway (p< 0.05). Phenylpropanoids and polyketides exhibited predominant enrichment in TP (|log2FC| > 2, VIP > 1,p< 0.01). (3) InC. elegansmodels, TP outperformed TX in pharyngeal pumping (4.16%,p< 0.05), while both extended stress-resistant lifespan (p< 0.01). In conclusion, TP plays an essential role in establishing the characteristic odor profile of TM and retaining bioactive components, particularly phenylpropanoids. Preserving TP during processing optimally maintains the distinctive aroma profile and pharmacological value of TM, which provides valuable guidance for industrial utilization.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD SCIENCE
·
2025
·Vol. 90
·期 7
·e70380
·
IF 3.4
Xiayu Zhong,Shihong Cai,Limei Yu,Hao Dong,Qiaoyu Liu,Yuanhong Zhang,Xiaofang Zeng
Sugar plays a crucial role in the processing of Cantonese sausages, endowed it unique flavor perceptions. The aim of this study was to investigate the effect of sugar levels on the structure and flavor binding capacity of pork myofibrillar proteins (MPs) during the processing of Cantonese sausages. Results showed that sugar addition could significantly enhance the concentration of flavor compounds in Cantonese sausages, with ester emerging as the key aroma compounds. Moreover, 6% sugar addition generally showed the highest flavor concentration, which could be associated with the structural changes mediated by different sugar levels. Sugar addition could cause structural unfolding and reassembly to MPs, forming more loose structures with significant decrease in α-helix and increase in β-sheets. And the surface hydrophobicity first decreased and then increased with increasing in sugar content, peaking at 6% and 9% sugar addition. All these could affect the flavor adsorption capacity of MPs, showing improved adsorption capacity to alcohol and ketone compounds and releasing effect to ester and aldehyde compounds upon sugar addition. The driving force for the adsorption could be attributed to the exposure of the hydrophobic sites in MPs, which could reduce the surface tension and thus promote the adsorption of flavor compounds. The results obtained in this study provided theoretical basis and data support for the processing of low-sugar Cantonese sausage with good flavor perception.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Yuanhong Zhang,Defeng Zeng,Shihong Cai,Qiaoyu Liu,Weizheng Sun,Xin Hu,Hui Peng,Hao Dong,Xiaofang Zeng
Sodium chloride (NaCl) has an indispensable effect on Cantonese sausage flavor, while its mechanism is far from clear. This study examined how NaCl affects the flavor of Cantonese sausage by altering myofibrillar protein (MP) structure and its binding to key volatile compounds. The results showed that NaCl concentration most affected the esters in Cantonese sausage. At 3.5 %, myosin degradation shifted α-helix to β-sheets and β-turns. Ionic bonding, hydrophobic interactions and surface hydrophobicity peaked due to the solubilization of proteins as well as the exposure of hydrophobic groups. MP adsorption capacity showed that 3.5 % NaCl concentration adsorbed ethyl hexanoate, octanol, octanal, and 2-nonanone most strongly. The adsorption driving force originates from the exposure of hydrophobic sites, which reduces surface tension and subsequently promotes the adsorption of flavor compounds. This study provides theoretical and data support for optimizing processing conditions and improving the flavor of Cantonese sausages.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Food Chemistry-X
·
2025
·
IF 8.2
Mingzhu Zhou,Yiting Lu,Jinyu Yu,Chao Wang,Wei Yu,Liu Shi,Wenjin Wu,Lan Wang,Yu Qiao
Gas chromatography-electronic nose (GC-E-Nose), gc-ion mobility spectrometry (GC-IMS), and gc-olfactory-mass spectrometry (GC-O-MS) techniques, along with odor recombination and omission experiments, were employed to characterize the off-flavors in commercially available ready-to-heat roasted catfish after reheating. A total of 19 (DR), 11 (HR), and 21 (YR) characteristic compounds were identified across the three samples. The 19 characteristic compounds from the DR group were reconstituted to develop recombination and omission models. The resulting model demonstrated the highest similarity (84.98 %) to the original sample while retaining some odor information from the other two sample groups. The 12 key off-flavor substances were identified through the omission model and were subsequently subjected to multivariate recombined. The contribution of these off-flavors was further validated via omission testing. The results indicated that the primary off-flavors in reheated ready-to-heat roasted catfish were attributed to hexanal, heptanal, (E)-2-hexenal, octanal, 3-methyl-1-butanol, 1-octen-3-ol, and (E,E)-2,4-heptadienal. This characterization of off-flavors in ready-to-heat roasted catfish post-reheating will contribute to the regulation of the product's flavor quality.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Food Chemistry-X
·
2025
·
IF 8.2
Yanxia Xie,Zixi Yang,Yuanmin Zhu,Xuemin Chen,Mengjie Lei,Xiaodi Jin,Wenwen Jin,Chunhua Fu,Longjiang Yu
Tea aroma critically influences consumer preference. Pantoea camelliae Z09, isolated from Yunnan sun-dried green tea, enhances the rose-honey aroma of fermented tea infusion. This study investigated aroma formation during liquid-state fermentation using GC–MS, GC-IMS, and molecular docking. GC–MS and GC-IMS identified 223 and 74 volatile organic compounds (VOCs), respectively, including alcohols, ketones, and esters. Six key aroma-active compounds were identified via relative odor activity value (ROAV), while orthogonal partial least squares discriminant analysis (OPLS-DA) revealed 49 differential VOCs driving aroma evolution. By integrating ROAV, OPLS-DA, abundance analysis, and molecular docking, 29 major VOCs were linked to the rose-honey profile, with phenylethyl alcohol as the dominant contributor. Their binding to olfactory receptors involved noncovalent interaction. A flavor wheel was constructed to visualize the aroma profile. This study is the first to elucidate how bacteria influence the aroma of tea infusion through liquid-state fermentation, offering insights for the development of specialty tea products.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Frontiers in Plant Science
·
2025
·
IF 4.8
Feiyan Wang,Chenyi Li,Haizheng Yu,Dongfeng Yang,Ji Ye,Lei Zhang
Salvia officinalis is an important dietary supplement that is widely used as a flavor regulator and plays an important role in the prevention and treatment of neurodegenerative diseases. Salvia miltiorrhiza Bunge is a famous Chinese herbal medicine for treating cardiovascular diseases. Secondary metabolites with diverse structures endow the two species with various edible and medicinal values. However, the differences in secondary metabolites between the leaves of S. officinalis and S. miltiorrhiza are still unclear. Herein, FlavourSpec® combined with spatial metabolomics was used to explore the distribution patterns of secondary metabolites including volatile and non-volatile components. The results indicated that the chemical compositions of the two Salvia species were significantly different. Specifically, S. miltiorrhiza Bunge contained high levels of phenolic acid components with a furan ring that can hardly be detected in S. officinalis. The volatile small molecules as well as carnosic acid and its derivatives were found to be major components of S. officinalis leaves. Because of the long-term exposure of leaves to ultraviolet radiation and the same environmental stress, carnosic acid and its derivatives exhibit widespread distribution characteristics in S. officinalis leaves. The work explored the similarities and differences in secondary metabolites of S. officinalis and S. miltiorrhiza Bunge, providing not only the material basis to develop the application value in dietary nutrition, but also a theoretical foundation for the development and utilization of medicinal resources of Salvia.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RARE METALS
·
2025
·
IF 11
Jiang Xue,Qu Dan-Yao,Zhang Jun-Nan,Kloper Viki,Zhang Ke-Fan,Zhang Guang-Jian,Wang Lei,Pan Ming-Hu,Guo Quan-Min,Chen Li,Huang Wei-Tian,Gao Jian-Zhi,Haick Hossam,Wu Wei-Wei
The field of disease smelling diagnosis has experienced a major breakthrough with the development of the electronic nose (E-nose) that utilizes thiol-capped gold nanoparticles (GNPs). This study focuses on overcoming the challenges of sensors to detect VOCs stably confounding with interferents of humidity and pressure, and clarifying their essential mechanism. An innovative and straightforward method for synthesizing GNPs and modifying their surface has been developed. This unique approach deviates from the conventional Brust method by completely removing any traces of tetraoctylammonium bromide (TOAB), ensuring reproducibility and simplicity of use. This modification enhances the sensor’s responsiveness to both polar and non-polar VOCs, as well as strengthen selectivity and anti-interferant capabilities. The mechanism of generating sensing cross-talk from TOAB residue is proposed through rigorous sensing experiments, X-ray photoelectron spectroscopy (XPS) results, and theoretical analysis. Thus, this study enhances the responsiveness of the sensor to both polar and non-polar VOCs, while also strengthening its selectivity and anti-interferent capabilities. This could potentially revolutionize the practical applications of E-nose in smelling diagnosis. Graphical abstract
✓ 已验证
产品关联
DOI
高影响因子
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
·
2015
·
IF 2.297
Xuping Wang,Qingyun Tang,Grzegorz Maria Popowicz,Bo Yang,Yonghua Wang
More and more industrial chemistry reactions rely on green technologies. Enzymes are finding increasing use in diverse chemical processes. Epoxidized vegetable oils have recently found applications as plasticizers and additives for PVC production. We report here an unusual activity of the Malassezia globosa lipase (SMG1) that is able to catalyze epoxidation of alkenes. SMG1 catalyzes formation of peroxides from long chain carboxylic acids that subsequently react with double bonds of alkenes to produce epoxides. The SMG1 is selective towards carboxylic acids and active also as a mutant lacking hydrolase activity. Moreover we present previously unobserved mechanism of catalysis that does not rely on acyl–substrate complex nor tetrahedral intermediate. Since SMG1 lipase is activated by allosteric change upon binding to the lipophilic–hydrophilic phase interface we reason that it can be used to drive the epoxidation in the lipophilic phase exclusively.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2025
·
IF 5.2
Bin Ou,Xiaofang Li,Lemei Huang,Xiaobing Liu,Kui Wu
The solubility of N-fluorobenzenesulfonimide in sixteen pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, ethyl acetate, 2-butanone, 2-pentanone, acetone, toluene, acetonitrile, ethyl formate, and methyl acetate, was measured using the gravimetric method in the temperature range of 273.35 K to 322.85 K under 101.3 kPa. Five thermodynamic models, namely the modified Apelblat equation, the λh equation, the Non Random Two Liquid (NRTL) equation, the Wilson equation and the Yaws model, were applied to correlate the measured solubility data. The correlation results were evaluated using relative mean deviation (RAD) and root mean square deviation (RMSD). The results indicate that the molar solubility increases with increasing temperature in all sixteen solvents, and all five relevant models can provide satisfactory results. A preliminary evaluation of the potential for chemical bond formation between solute and solvent was conducted by examining the electrostatic potential energy surface of the solute. Density functional theory (DFT) was utilized to calculate the interaction between solute and solvents during the dissolution process. The KAT-LSER model was introduced to analyze solvent effects, and the results showed that hydrogen bond acidity is not conducive to dissolution, while hydrogen bond alkalinity, dipole interaction, and the ability of electron polarization to stabilize charges are conducive to dissolution. The thermodynamic properties of the mixture, such as enthalpy, entropy, and Gibbs free energy, were calculated, and the results showed that the dissolution process of N-fluorobenzenesulfonimide is spontaneous and favorable.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Yajun Li,Aoxiang Xu,Jili Zheng,Xianhe Deng,Can Hu,Jun Zhu,Kui Wu
Diludine and its derivatives are important precursors widely employed in the design and synthesis of dihydropyridine calcium channel blocker (CCB) drugs. The solid–liquid-phase equilibrium data and dissolution properties of diludine can provide fundamental thermodynamic data for the synthesis, separation, and further study of CCBs in the industry as well as the academic arena. The solubility of diludine in 16 pure solvents, including eight alcohols, three ketones, three esters, toluene, and acetonitrile from 272.15 to 323.65 K under atmospheric pressure, was measured using the gravimetric method. The solid–liquid equilibrium curve of diludine indicated an increasing trend with an increase in the temperature. The solvent polarity is a critical factor influencing the solubility behavior, but it is not the only one. Four thermodynamic models (i.e., the modified Apelblat model, λh model, NRTL model, and Wilson model) were used to correlate the solubility data. The Wilson model showed the most satisfactory agreement. Furthermore, the dissolution thermodynamic properties (ΔdisS, ΔdisH, and ΔdisG) of diludine in selected solvents were estimated on the basis of thermodynamic relations and the regressed Wilson model.
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）