Occurrence and fate of perfluoroalkyl and polyfluoroalkyl substances (PFAS) in an urban aquifer located at the Besòs River Delta (Spain).

Urban aquifers are at risk of contamination from persistent and mobile organic compounds (PMOCs), especially per- and polyfluoroalkyl substances (PFAS), which are artificial organic substances widely used across various industrial sectors. PFAS are considered toxic, mobile and persistent, and have therefore gained significant attention in environmental chemistry. Moreover, precursors could transform into more recalcitrant products under natural conditions. However, there is limited information about the processes which affect their behaviour in groundwater at the field-scale. In this context, the aim of this study is to assess the presence of PFAS in an urban aquifer in Barcelona, and identify processes that control their evolution along the groundwater flow. 21 groundwater and 6 river samples were collected revealing the presence of 16 PFAS products and 3 novel PFAS. Short and ultra-short chain PFAS were found to be ubiquitous, with the highest concentrations detected for perfluorobutanesulfonic acid (PFBS), trifluoroacetic acid (TFA) and trifluoromethanesulfonic acid (TFSA). Long chain PFAS and novel PFAS were found to be present in very low concentrations (<50 ng/L). It was observed that redox conditions influence the behaviour of a number of PFAS controlling their attenuation or recalcitrant behaviour. Most substances showed accumulation, possibly explained by sorption/desorption processes or transformation processes, highlighting the challenges associated with PFAS remediation. In addition, the removal processes of different intensities for three PFAS were revealed. Our results help to establish the principles of the evolution of PFAS along the groundwater flow, which are important for the development of conceptual models used to plan and adopt site specific groundwater management activities (e.g., Managed Aquifer Recharge).

Quality evaluation and health risk assessment of karst groundwater in Southwest China.

Groundwater in karst regions is of immense value due to its vital support for regional ecosystems and residents' livelihoods. However, it is simultaneously threatened by multi-source pollution from agricultural non-point sources, industrial and domestic point sources, and mining activities. This study focuses on the Guangxi of China, which features typical karst topography, aiming to thoroughly assess the groundwater quality and related health risks in Guangxi, especially identifying the impacts of various key pollution sources on the groundwater environment. A total of 1912 groundwater samples were collected, covering an area of approximately 237,600 km2. The spatial distribution of pollutants was analysed using the Nemeroww index method and Kriging interpolation, while multivariate statistical and cluster analysis methods were employed to identify the main types of pollution sources. Furthermore, based on the human health risk assessment model of the U.S. Environmental Protection Agency (US EPA), a risk assessment was conducted for key pollutants. The results revealed widespread heavy metal contamination in Guangxi's groundwater, particularly with concentrations of Mn, As, Al, Pb reaching up to 9.4 mg/L, 2.483 mg/L, 37.95 mg/L, 4.761 mg/L, respectively, significantly exceeding China's national Class III groundwater quality standards. Cluster analysis indicated that mining and industrial activities are the primary sources of pollution. The health risk assessment demonstrated that these activities pose a significant risk to public health. The aim of this study is to provide a scientific basis for the protection of the groundwater environment in Guangxi and other karst areas, the formulation of pollution prevention and control strategies, and the optimization of urban and industrial land use layouts. Future research should focus on advanced isotopic and molecular biological techniques to trace pollution sources more precisely and evaluate the effectiveness of pollution control measures.

[Research Advances of Groundwater Nitrate Pollution and Source Apportionment in China].

Groundwater nitrate (NO3-) contamination in China has become a serious environmental problem, especially in agricultural production areas, which greatly affects the safety of drinking groundwater and requires urgent attention. In this study, the main sources of groundwater nitrate in China were reviewed, including atmospheric deposition, soil nitrogen, agricultural fertilization, and fecal sewage, among which fecal sewage and agricultural fertilization were the main reasons for the excessive groundwater nitrate. The application of hydrochemical analysis, multivariate statistical analysis, stable isotope tracer method, and microbial source tracking in the source apportionment of groundwater nitrate was summarized. All types of source apportionment methods had certain limitations. It is suggested that a variety of methods should be used to identify the source of groundwater nitrate, and the contribution rate of different pollution sources should be calculated using multivariate statistical analysis and isotope quantitative analysis models. The source apportionment of nitrate pollution has undergone a process from qualitative to quantitative research. At present, the SIAR and MixSIAR models based on δ15N-NO3-and δ18O-NO3- have been used widely to analyze the source of nitrate. However, due to the overlap of isotope characteristic values of different input end-members, the difference in δ15N-NO3-and δ18O-NO3- values under different spatial and temporal changes, and the influence of isotope fractionation in the process of nitrogen migration and transformation, the results calculated by the model remain uncertain. It is necessary to further optimize the analytical method of the model to obtain the source of nitrate pollution and its contribution rate more accurately to further aid in the scientific management of groundwater resources.

Exploring Pijuayo (Bactris gasipaes) Pulp and Peel Flours as Fat Replacers in Burgers: A Multivariate Study on Physicochemical and Sensory Traits.

Meat products are known for their lipid profile rich in saturated fats and cholesterol, and also for the formation of oxidation compounds; therefore, a reduction in animal fat may result in a product less harmful to health. Pijuayo is an Amazon fruit known for its nutritional properties, such as its fiber and lipid content. For these reasons, it is an attractive fruit to replace animal fat in meat products. The present work used pijuayo pulp and peel flours to partially replace animal fat in beef-based burgers at 25% and 50% levels, considering sensory and physicochemical outcomes evaluated by Principal Component Analysis (PCA), Correspondence Analysis (CA) and Multiple Factor Analysis (MFA). Pijuayo flour affected the physicochemical characteristics evaluated by PCA, where the samples with greater fat replacement were characterized by a high carbohydrate content and instrumental yellowness. The minimal fat replacement did not abruptly affect the PCA's instrumental texture and color, proximal composition, yield properties, and lipid oxidation. The overall liking was greater in the 25% fat reduction treatments, even greater than the control, in which positive sensory attributes for liking were highlighted for those treatments. A small segment of consumers (11% of total consumers) preferred the treatment with greater replacement of fat with pijuayo peel flour, which these consumers tended to characterize as seasoned. However, this treatment had the lowest liking. The MFA showed that the sensory characteristics tender and tasty were strongly correlated with overall liking and were highlighted in the samples of 25% fat reduction, suggesting that the pijuayo improves the tenderness and flavor of reduced-fat burgers. Other inclusion levels between 25% and 50% of fat replacement could be explored, and optimization studies are needed. In addition, the sensory characteristics and flavor-enhancing compounds of the fruit, as well as the nutritional aspects of the inclusion of pijuayo, should be studied, such as the fatty acid profile. These characteristics will be informative to explore pijuayo as a fat replacer at a pilot scale and industrial scale.

Evaluation of the quality grade of Congou black tea by the fusion of GC-E-Nose, E-tongue, and E-eye.

In the present study, the comprehensive quality of Congou black tea (CBT) including aroma, taste, and liquid color was investigated by a combination of gas chromatography electronic nose (GC-E-Nose), electronic tongue (E-tongue), and electronic eye (E-eye). An excellent discrimination of different quality grades of CBT was accomplished through the fusion of GC-E-Nose, E-tongue, and E-eye combined with orthogonal partial least squares discriminant analysis, with parameters of R2Y = 0.803 and Q2 = 0.740. Moreover, the quantitative evaluation of CBT quality was successfully achieved by partial least squares regression analysis, with the absolute error within 1.39 point, and the relative error within 1.62%. Additionally, 12 key variables were screened out by stepwise multiple linear regression analysis, which significantly contributed to the comprehensive quality score of CBT. Our results suggest that the fusion of multiple intelligent sensory technologies offers great potential and practicability in the quality evaluation of black tea.

Quality markers of Polygala fallax Hemsl decoction based on qualitative and quantitative analysis combined with network pharmacology and chemometric analysis.

INTRODUCTION: Polygala fallax Hemsl (PFH) is a widely used herbal medicine in Guangxi, China. At present, research on PFH mainly focuses on extraction technology and cultivation, lacking quality control standards for systematic evaluation. OBJECTIVES: The study aimed to assess the quality of PFH from different sources and to predict markers that would help assess quality. METHODS: Fingerprinting of 15 batches of PFH samples was performed by ultra-high performance liquid chromatography (UPLC) and similarity was assessed using hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discrimination (OPLS-DA). Differential components were screened by mathematical analysis, and a "component-target-pathway" network map was constructed in combination with network pharmacology, quality markers (Q-markers) of PFH were predicted, and quantitative analysis was performed. RESULTS: Fifteen batches were fingerprinted for PFH, with 11 common peaks, and peak 5 was identified as 4-hydroxybenzoic acid, which was generally consistent with the results of HCA, PCA, and OPLS-DA. Network pharmacology screened 18 potential compounds, 45 core targets, and 20 key pathways, integrating fingerprinting, pattern recognition, and network pharmacology methods. One of the potential Q-markers that can identify the principle of testability, efficacy, and specificity is 4-hydroxybenzoic acid, whose content ranges from 0.0188 to 1.4517 mg/g. CONCLUSION: The potential Q-markers of PFH were predicted by integrating fingerprinting, pattern recognition, and network pharmacological analysis, which provided a scientific basis for the overall control and evaluation of the quality of PFH and a theoretical reference for the study of the quality standard of multi-base traditional Chinese medicine.

Geographical authentication of saffron by chemometrics applied to the ion mobility spectrometry data.

There is a lack of a reliable tool for quickly determining the geographical origins of saffron (SFR). Ion mobility spectrometry (IMS) has emerged as a promising method for rapid authentication. In this study, 232 Iranian SFR samples harvested in five distinct areas (Khorasan, Azerbaijan, Golestan, Fars, and Isfahan) were analyzed by IMS coupled with chemometric methods. The principal component analysis (PCA) was applied for analyzing the collected IMS data, utilizing three principle components (PCs) that accounted for 81 % of the explained variance. Moreover, the partial least squares-discriminant analysis (PLS-DA) demonstrated the average sensitivity and specificity rates, of 72.3 % to 92.5 % for the exernal test set and 75.5 % to 94.3 % for training set. The accuracy values were ≥ 85.0 % for the prediction set for all classes of samples. The results of this study revealed a successful application of IMS and chemometric methods for rapid geographical authentication of saffron samples in Iran.

Cervical cancer biomarker screening based on Raman spectroscopy and multivariate statistical analysis.

Cervical cancer (CC) stands as one of the most prevalent malignancies among females, and the examination of serum tumor markers(TMs) assumes paramount significance in both its diagnosis and treatment. This research delves into the potential of combining Surface-Enhanced Raman Spectroscopy (SERS) with Multivariate Statistical Analysis (MSA) to diagnose cervical cancer, coupled with the identification of prospective serum biomarkers. Serum samples were collected from 95 CC patients and 81 healthy subjects, with subsequent MSA employed to analyze the spectral data. The outcomes underscore the superior efficacy of Partial Least Squares Discriminant Analysis (PLS-DA) within the MSA framework, achieving predictive accuracy of 97.73 %, and exhibiting sensitivities and specificities of 100 % and 95.83 % respectively. Additionally, the PLS-DA model yields a Variable Importance in Projection (VIP) list, which, when coupled with the biochemical information of characteristic peaks, can be utilized for the screening of biomarkers. Here, the Random Forest (RF) model is introduced to aid in biomarker screening. The two findings demonstrate that the principal contributing features distinguishing cervical cancer Raman spectra from those of healthy individuals are located at 482, 623, 722, 956, 1093, and 1656 cm-1, primarily linked to serum components such as DNA, tyrosine, adenine, valine, D-mannose, and amide I. Predictive models are constructed for individual biomolecules, generating ROC curves. Remarkably, D-mannose of V (C-N) exhibited the highest performance, boasting an AUC value of 0.979. This suggests its potential as a serum biomarker for distinguishing cervical cancer from healthy subjects.

Unveiling the metabolites underlying the skin anti-ageing properties of Cytinus hypocistis (L.) L. through a biochemometric approach.

BACKGROUND: The genus Cytinus, recognised as one of the most enigmatic in the plant kingdom, has garnered attention for its bioactive potential, particularly its skin anti-ageing properties. Despite this recognition, much remains to be accomplished regarding deciphering and isolating its most active compounds. HYPOTHESIS: This study aimed to identify the compounds responsible for C. hypocistis skin anti-ageing potential. METHODS: Using multivariate analysis, a biochemometric approach was applied to identify the discriminant metabolites by integrating extracts' chemical profile (Liquid Chromatography-High-Resolution Mass Spectrometry, LCHRMS) and bioactive properties. The identified bioactive metabolite was structurally elucidated by 1D and 2D Nuclear Magnetic Resonance (NMR). RESULTS: Among the studied bioactivities, the anti-elastase results exhibited a significant variation among the samples from different years. After the biochemometric analysis, the compound 2,3:4,6-bis(hexahydroxydiphenoyl)glucose, with a molecular mass of 784.075 Da, was structurally elucidated as the discriminant feature responsible for the outstanding human neutrophil elastase inhibition. Remarkably, the subfraction containing this compound exhibited a tenfold improvement in neutrophil elastase inhibition efficacy compared to the crude extract; its effectiveness fell within the same range as SPCK, a potent irreversible neutrophil elastase inhibitor. Moreover, this subfraction displayed no cytotoxicity or phototoxicity and excellent efficacy for the tested anti-ageing properties. CONCLUSIONS: Hydrolysable tannins were confirmed as the metabolites behind C. hypocistis skin anti-ageing properties, effectively mitigating critical molecular mechanisms that influence the phenotypically distinct ageing clinical manifestations. Pedunculagin was particularly effective in inhibiting neutrophil elastase, considered one of the most destructive enzymes in skin ageing.

[Research on differential quality markers of medicine herbs for Danggui Buxue Decoction before and after processing based on fingerprint and network pharmacology].

The different quality markers of Danggui Buxue Decoction before and after processing were studied based on fingerprint and network pharmacological research, and the seven screened index components were quantitatively analyzed, so as to provide an experimental basis for the quality evaluation of Danggui Buxue Decoction before and after processing. HPLC method was used to establish fingerprints of Danggui Buxue Decoction before and after processing, and a multivariate statistical method was used to analyze the cha-racteristic maps and common peak areas of Danggui Buxue Decoction before and after processing. The different characteristic components before and after processing were screened out, and related targets and pathways of their different components were constructed based on network pharmacology. Their components were quantitatively analyzed. A total of 13 common peaks were identified in the fingerprint of the Danggui Buxue Decoction sample, and seven main chemical components were identified, with similarity > 0.911. Further cluster analysis, principal component analysis, and partial least squares discriminant analysis were used to distinguish raw and processed products. According to VIP value, the main difference components 1, 2, 6, 13, and 5 of Danggui Buxue Decoction before and after processing were screened. By combining the "five principles" of TCM Q-marker and network pharmacology, 5-hydroxymethylfurfural, ferulic acid, calycosin-7-O-ß-D-glucoside, calycosin, ligusticolide, formononetin, and ligusticolide I were selected as the signature components of quality difference before and after processing. The results of the quantitative analysis showed that the content of ligustrin I, calycosin, formononetin, and ligusticum decreased after the Danggui Buxue Decoction was processed. The content of calycosin-7-O-ß-D-glucoside and ferulic acid increased. At the same time, a new chemical compound, namely 5-hydroxymethylfurfural was produced. The established fingerprint analysis method is stable and reliable. Combined with network pharmacology and quantitative research, it screens out the differential Q-marker, which provides an experimental basis for further research on processed products of Danggui Buxue Decoction.

Heavy metal analysis of water and sediments of the Kaptai Lake in Bangladesh: Contamination and concomitant health risk assessment.

In this study, concentrations of 9 heavy metals (Cr, Fe, Co, Ni, Cu, Zn, As, Cd, and Pb) in water and sediments of the Kaptai Lake were determined by neutron activation analysis and atomic absorption spectrometry techniques to study their distribution and contamination in the lake. Average concentrations of Cr and Co in sediments, and Fe and Pb in water were higher than those of some international guideline values. Different environmental pollution indexes (individual and synergistic) suggested that the sediments of Kaptai Lake are minorly enriched by As and Zn, and have low severity of contamination at most of the sampling sites. For residential receptors exposed to the heavy metals in lake water, both non-carcinogenic and carcinogenic hazards were assessed which indicated that there is no carcinogenic risk for As while Cr shows a slightly carcinogenic risk. Moreover, estimated potential ecological risks and different SQGs suggested low ecotoxicological risks in the sediments of Kaptai Lake. Multivariate statistical analyses revealed the correlation among the studied heavy metals and indicated that the origin of most of the metals is mainly lithogenic and a small number of metals (Cu and Pb) from anthropogenic sources. The results of this study will be helpful in developing a pollution control strategy for the lake.

Effects of ultrafiltration membrane processing on the metabolic and sensory profiles of coffee extracts.

In the coffee industry, the use of natural coffee extracts with differentiated attributes is desirable to drive new product development. This study evaluates the impact of ultrafiltration membrane processing on the sensory, metabolic, and physicochemical attributes of four commercially available coffee extracts: cold brew, lightly roasted, freeze concentrated and evaporated standard. The sensory analysis revealed an increase in acidity in the permeate across all extracts, with the most significant profile changes observed in the lightly roasted evaporated and evaporated extracts, accompanied by an enhancement of fruity and floral attributes. Furthermore, the permeate showed reduced total dissolved solids, while the caffeine concentration increased. Metabolomic analysis highlighted key coffee-related metabolites like cinnamic and coumaric acids, explaining observed variations due to their passage through the membrane. Our findings emphasize the potential of permeate as a coffee-based ingredient for ready-to-drink products development, providing a unique coffee experience with organoleptic profiles distinct from traditional beverages.

Spatial distribution and hydrogeochemical evaluations of groundwater and its suitability for drinking and irrigation purposes in kaligonj upazila of satkhira district of Bangladesh.

Groundwater is a significant water resource for drinking and irrigation in Satkhira district, Bangladesh. The depletion of groundwater resources and deterioration in its quality are the results of the confluence of factors such as industrialization, intensive irrigation, and rapid population growth. For this reason, this study focused on the evaluation of tubewell water of six unions of Kaligonj upazila in Satkhira district, which is situated in the coastal southwest part of Bangladesh. Major and trace elemental concentrations were assimilated into positive matrix factorization (PMF) to identify potential sources and their respective contributions. Principal component analysis (PCA) revealed that groundwater salinization and manmade activities were the primary causes of heavy metals in the coastal groundwater. Its average pH value was found to be 7.5, while Dissolved oxygen, Total dissolved solids, salinity, and conductivity, with values ranging from 1.18 to 7.38 mg/L, 0.5-4.88 g/L, 0.4-5%, and 0.95 to 8.56 mS/cm, respectively. The total hardness average value was 561.7 mg/L, classified into the very hard water categories, which is why 90% of the tubewell water samples were unfit for household purposes. All samples had an excessive level of arsenic present. The iron concentration of fifteen (15) samples crossed the standard limit according to WHO 2011 value. Around 63% of the samples were of the Na+-K+-Cl--SO42- type, and about 72% were sodium-potassium and alkali types. 98% of samples were covered in chloride and bicarbonate. The findings showed that 45.83% of the groundwater samples had negative Chloroalkaline index (CAIs), while 54.16% had positive. The permeability index (PI) was an average of 73%, and residual sodium carbonate (RSC) averaged 260.2 mg/L, and the findings clearly showed that 80% of the samples weren't appropriate for irrigation. According to the sodium adsorption ratio (SAR) value, 65% of the samples fell into the unsuitable category. These calculations indicated a high overall salinity hazard in the study area, which may be caused by the intrusion of sea water given that the study area is close to the coastal region. Findings compared to standards revealed that the majority of the samples were deemed unfit for drinking and irrigation purposes. Hence, additional attention must be paid to this area to ensure the availability of drinkable water and to preserve sustainable farming practices.

Using GC-O-MS, GC-IMS, and chemometrics to investigate flavor component succession regularity in the Niulanshan Erguotou Baijiu brewing process.

The volatile compounds in Dacha liquor (DL) and Ercha liquor (EL) from Niulanshan Erguotou Baijiu (NEB) were analyzed. The results demonstrated that a total of 34 odorants were identified. For the first time, the products of different brewing stages were analyzed using temperature-programmed headspace gas chromatography-ion mobility spectrometry (TP-HS-GC-IMS). The 3D fingerprint obtained revealed that the compounds exhibited different change patterns during the brewing process. Furthermore, the results of principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) revealed that hexanal, 3-hydroxy-2-butanone, trans-2-pentenal, and ethyl hexanoate could be used to distinguish different types of fermented grains; and hexanal, 1-pentanol, methyl isovalerate, isoamyl acetate, 3-hydroxy-2-butanone, ethyl hexanoate, ethyl acetate, ethyl 2-methylbutanoate, and ethyl pentanoate could be used to distinguish different types of distilled spirits. This study serves as a useful reference for enhancing quality control measures in the production of NEB.

Characterization and Discrimination of Marigold Oleoresin from Different Origins Based on UPLC-QTOF-MS Combined Molecular Networking and Multivariate Statistical Analysis.

Marigold oleoresin is an oil-soluble natural colorant mainly extracted from marigold flowers. Xinjiang of China, India, and Zambia of Africa are the three main production areas of marigold flowers. Therefore, this study utilized ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS) technology, combined with Global Natural Products Social Molecular Networking (GNPS) and multivariate statistical analysis, for the qualitative and discriminant analysis of marigold oleoresin obtained from three different regions. Firstly, 83 compounds were identified in these marigold oleoresin samples. Furthermore, the results of a principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) indicated significant differences in the chemical compositions of the marigold oleoresin samples from different regions. Finally, 12, 23, and 38 differential metabolites were, respectively, identified by comparing the marigold oleoresin from Africa with Xinjiang, Africa with India, and Xinjiang with India. In summary, these results can be used to distinguish marigold oleoresin samples from different regions, laying a solid foundation for further quality control and providing a theoretical basis for assessing its safety and nutritional aspects.

Insights into the key odorants in fresh and dried Amomum tsaoko using the sensomics approach.

To identify the key odorants in Amomum tsaoko (AT), volatiles in fresh AT (FAT) and dried AT (DAT) were investigated using molecular sensory science. In addition to this, the sensomics approach was used to confirm the presence of the compound in FAT that contributed the most to its aroma profile. A total of 49 odor-active compounds (43 in FAT and 42 in DAT) with flavor dilution (FD) factors ranging from 1 to 6561 were identified, with eucalyptol exhibiting the highest FD factor of 6561. Odorants with FD factors ≥ 27 were quantitated, and 23 and 20 compounds in FAT and DAT, respectively, with odor activity value ≥ 1 were determined as key odorants. Recombination and omission experiment further indicated that (E)-2-dodecenal, geranial, octanal, (E)-2-octenal, (E)-2-decenal, and eucalyptol contributed significantly to the overall aroma profile of FAT. After drying of FAT, the concentrations of aldehydes decreased significantly, whereas those of terpene hydrocarbons increased. Multivariate statistical analysis revealed that 26 FAT and 23 DAT odorants were biomarker compounds.

Classification of grape seed residues from distillation industries in Europe according to the polyphenol composition highlights the influence of variety, geographical origin and color.

Grape seed residues represent the raw material to produce several value-added products including polyphenol-rich extracts with nutritional and health attributes. Although the impact of variety and environmental conditions on the polyphenol composition in fresh berries is recognized, no data are available regarding grape seed residues. The chemical composition of grape seed residues from wine distilleries in France, Spain and Italy was characterized by mass spectrometry. Forty-two metabolites were identified belonging to non-galloylated and galloylated procyanidins as well as amino acids. Polyphenol concentrations in the red varieties originated from Champagne or Veneto were twice higher than in white varieties from the Loire Valley. The chemical profiles of grape seed residues were mainly classified according to the color variety with galloylated procyanidins as biomarkers of white varieties and non-galloylated procyanidins as biomarkers of red ones. The present approach might assist the selection of grape seed residues as quality raw materials for the production of polyphenol-rich extracts.

Exploring the Effect of Milk Fat on Fermented Milk Flavor Based on Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) and Multivariate Statistical Analysis.

Milk fat is a premium nutritional health product, yet there is a lack of high-fat dairy products for daily consumption in the current market. This study investigated the influence of different milk fat contents on the physicochemical and textural properties of fermented milk. The research revealed that an increase in milkfat content significantly improved the water-holding capacity, syneresis, color, hardness, springiness, gumminess, and chewiness of fermented milk, while showing minimal changes in pH and total titratable acidity. Response surface analysis indicated that fermented milk with 25% milk fat, 2.5% inoculum, a fermentation time of 16 h, and a fermentation temperature of 30 °C exhibited the highest overall acceptability. Using GC-IMS technology, 36 volatile compounds were identified, with an increase in milk fat content leading to elevated levels of ketone compounds, and 14 compounds were defined as key aroma compounds (ROAV > 1). Electronic nose distinguished samples with different milk fat contents. The results demonstrate that an increase in milk fat content enhances the physicochemical and flavor attributes of fermented milk. This work provides theoretical references for the production and development of high-fat fermented milk.

Comparison of Aroma Compounds and Sensory Characteristics between Two Different Types of Rice-Based Baijiu.

Rice-based Baijiu has gained popularity in the Chinese market. Qingya-flavored Baijiu, a variant of Xiaoqu-fermented Baijiu, employs rice as its primary raw material, with an improved production process compared to traditional rice-flavored Baijiu. We comprehensively characterized and compared the aroma profiles of these two rice-based Baijiu types using static sensory experiments (QDA, quantitative descriptive analysis) and dynamic sensory experiments (TDS, temporal dominance of sensations). Qingya-flavored Baijiu exhibited pronounced plant, oily, and roasted aromas, while traditional rice-flavored Baijiu displayed more prominent fruity, floral, and sour notes. Utilizing GC-O-MS (gas chromatography-olfactometry-mass spectrometry) and multi-method quantification, we qualitatively and quantitatively analyzed 61 key aroma compounds, identifying 22 compounds with significant aroma contributions based on odor activity values (OAVs). Statistical analyses, combining sensory and chemical results, were conducted to predict important aroma compounds responsible for the aroma differences between the two Baijiu types. Aroma Recombination and Omission experiments showed that seven compounds play key roles in the aroma of Qingya-flavored Baijiu, including (2E,4E)-Deca-2,4-dienal, linalool, apricolin, ethyl acetate, ethyl isobutyrate, ethyl caprylate, and ethyl isovalerate.

A novel strategy for the quality control of carbonized Typhae pollen using colorimeter, liquid chromatography-mass spectrometry, and efficacy evaluation coupled with multivariate statistical analysis.

In this study, a novel quality control strategy was proposed, aiming to establish a multivariate specification for the processing step by exploring the correlation between colors, chemical components, and hemostatic effects of the carbonized Typhae pollen (CTP) using multivariate statistical analysis. The CTP samples were stir-fried at different durations. Afterward, the colorimeter and LC-MS techniques were applied to characterize the CTP samples, followed by the determination of bleeding time and clotting time using mice to evaluate their hemostatic effect. Then, principal component analysis, hierarchical cluster analysis, and multi-block partial least squares were used for data analysis on colors, chemical components, and their correlation with the hemostatic effect. Consequently, 13 critical quality attributes (CQAs) of CTP were identified via multivariate statistical analysis-L*, a*, b*, 3,4-dihydroxybenzoic acid, 4-hydroxybenzoic acid, 3-hydroxybenzoic acid, quercetin-3-O-glucoside, azelaic acid, kaempferol-3-O-glucoside, quercetin, naringenin, kaempferol, and isorhamnetin. The multivariate specification method involving the 13 CQAs was developed and visualized in the latent variable space of the partial least squares model, indicating that the proposed method was successfully applied to assess the quality of CTP and the degree of carbonization. Most importantly, this study offers a novel insight into the control of processing for carbonized Chinese herbal medicines.