Multivariate Statistical Analysis Research Articles

Comprehensive investigation on the flavor difference in five types of tea from JMD (Camellia sinensis 'Jinmudan').

Jinmudan (JMD) is a high-aroma variety widely cultivated in China. The current study primarily focuses on the key volatile metabolites in JMD black and oolong teas,and investigates the impact of processing technologies on the aroma quality of JMD tea. However, few studies have explored the suitabilityof JMD for producing a certain type of tea or the characteristic quality differences among various JMD teas using multivariate statistical analysis methods. The principal volatile metabolites contributing to the floral quality of JMD tea are linalool, geraniol, indole and phenethyl alcohol. In JMD black tea (BT), the key volatile metabolites include methyl salicylate, geraniol, (E)-β-ocimene and phenethyl alcohol. In JMD oolong tea (OT), the key volatile metabolites include indole, linalyl valerate and phenethyl alcohol. In JMD yellow tea (YT), the key volatile metabolites include methyl salicylate, geraniol and terpinolene. In JMD white tea (WT), the key volatile metabolites include methyl salicylate, geraniol and terpinolene. In JMD green tea (GT), the key volatile metabolites include (E)-β-ocimene, indole and geraniol. Comparative analysis and KEGG pathway enrichment analysis revealed that flavonoid biosynthesis is the primary metabolic pathway responsible for the taste differences among various tea types. GT exhibited higher levels of phloretin, dihydromyricetin and galangin. The contents of vitexin, tricetin in YT were relatively higher. The contents of aromadendrin and naringenin in BT were higher, while OT contained higher levels of kaempferol. Additionally, WT showed higher contents of 3-O-acetylpinobanksin and 3,5,7-pinobanksin. This study explained the reasons for the quality differences of different JMD tea and provided a reliable theoretical basis for the adaptability of JMD tea. © 2024 Society of Chemical Industry.

PSIV-24 Evaluation of different colostrum feeding volumes on serum immunoglobulin G concentration and metabolic profiles of calves in high altitude area

Abstract Qinghai-Tibet Plateau is the highest plateau in the world, reputed as “the roof of the world” and “the world’s third pole”. Its ecological environment is characterized by low atmospheric oxygen pressure, cold, and limited feed supplies. This study aimed to investigate the serum immunoglobulin G (IgG) concentration and metabolic profiles of calves in high altitude area (3,650 m) fed different volumes of colostrum [8, 12, or 15% of birth body weight (BW)] using untargeted metabolomics strategies. Neonatal Holstein hybrid heifer calves (n = 44) were randomly divided into 1 of the 3 colostrum feeding amounts: 8% of birth BW (Low volume, L), 12% of birth BW (Middle volume, M), and 15% of birth BW (High volume, H) in colostrum. To safeguard the efficiency of colostrum intake, the colostrum was fed to calves within 0.5 h and 6 h after birth. The serum samples at 24 h after birth were collected for IgG concentration determination by indirect enzyme-linked immunosorbent assay (ELISA) and for LC-MS/MS metabonomic analysis. As the volumes of colostrum increased, there was a linearly increased in the serum IgG concentration (P < 0.01). Differential metabolites were selected according to the following 3 conditions: minimum fold change (FC) > 2, P-value < 0.01 in single-dimensional statistical analysis, and variable importance in projection (VIP) > 1 in the OPLS-DA model. Multivariate statistical analyses were performed to visualize differences among groups. Based on the screening criteria, a total of 3 differential metabolites (22 alpha-Hydroxy-campesterol, N-Myristoyl Histidine, and Calcitetrol) were detected between L and M, of which all differential metabolites were down-regulated. Six differential metabolites were detected between M and H, of which PC[P-18:1(11Z)/18:1(12Z)-2OH(9,10)] was up-regulated and 5 differential metabolites including 1-arachidonoyl-2-hydroxy-sn-glycero-3-phosphate, propanoyl phosphate, ascorbic acid 6-palmitate, 20-hydroxyecdysone, and 6’’’-deamino-6’’’-hydroxyparomomycin II were down-regulated. There were 28 differed metabolites (including leucyl-tryptophan, calcitetrol, 3’’-Oxoribostamycin) between L and H, of which 9 differential metabolites were up-regulated and 19 differential metabolites were down-regulated (Figure 1). Based on KEGG metabolic enrichment pathway analysis and pathway topology analysis, porphyrin metabolism was identified as the most impacted pathway between L and H (Figure 2). In conclusion, increasing colostrum volumes significantly increased serum IgG concentrations at 24 h after birth, favoring the success of the transfer of passive immunity. Alterations in serum metabolome of calves in the Qinghai-Tibet Plateau fed different volumes of colostrum were successfully revealed by untargeted metabolomics. The role of the identified differential metabolites and enriched pathway in the transfer of passive immunity in calves at high altitude deserves further investigation. Keywords: calf, colostrum volumes, high altitude area

Acupuncture at the Zusanli acupoint can reduce the inflammatory response in AIA mice by regulating the arachidonic acid and pentose phosphate pathways

BackgroundRheumatoid arthritis (RA) is an autoimmune disease characterized by synovitis, which can lead to joint deformity. Acupuncture treatment stimulates specific acupoints to adjust qi and blood function, relieving joint inflammation and pain. MethodsUltra-high performance liquid chromatography-mass spectrometry (UPLC-QTOF-MS) was utilized for non-targeted metabolomics analysis of plasma samples from the blank group, Adjuvant-Induced Arthritis (AIA) model mice model mice group, and acupuncture group. Metabolite hierarchical clustering analysis, multivariate statistical analysis, standardized processing, principal component analysis (PCA), partial least squares-discriminant analysis (PLS-DA), and other methods were employed to identify targeted metabolites affected by acupuncture treatment in AIA mice. The related metabolic pathways were analyzed using KEGG pathway. ResultsHistopathological results demonstrated that acupuncture at Zusanli point (ST 36) significantly improved the inflammatory response in AIA mice. The PCA score plot indicated relatively close sample clustering within each group with significant differences observed between the four groups, confirming successful establishment of the AIA animal model with metabolic disorders occurring. Acupuncture treatment effectively corrected these metabolic disorders. Plasma metabolomics identified a total of 10 differential metabolites primarily associated with arachidonic acid and pentose phosphate metabolic pathways. ConclusionsAcupuncture at ST36 can significantly improve the inflammatory response in AIA mice through modulation of arachidonic acid and pentose phosphate metabolic pathways.

Analysis of Erythrocyte Parameters in Multiple and Long-Term Blood Donors from Northern Pomerania (Poland)

Background/Aims: Assessment of the levels of vital blood parameters in donors is essential to evaluate their health status, ensure their suitability for donation, preserve the integrity of the circulatory system, and facilitate comprehensive health monitoring. The aim of our study was to analyse the levels of haemoglobin, haematocrit, erythrocyte count, MCV, MCH, and MCHC in 12 groups of first-time donors and experienced donors of both sexes at the John Paul II Regional Blood Donation and Treatment Centre in Słupsk, northern Poland. The donors were divided into three age groups (18-30 years, 31-45 years, and 46-65 years). Methods: Using MANOVA multivariate significance tests, we examined the main effects of donor-related factors (age, sex, donor stage) on morphological blood parameters to evaluate different haematological parameters, such as Hb, Ht, RBC, MCV, MCH, and MCHC, and identified statistically significant relationships between all variables. Results: The multivariate analysis of these three main factors showed that the variation in haemoglobin (Hb) levels accounted for 46% of the explained dependence in this statistical model. In particular, approximately half of the variability in the multivariate statistical analysis was attributed to the role of Hb and haematocrit (Ht). In addition, the β-coefficient values for Hb and Ht were statistically higher in relation to donor sex and donor type (single versus repeat). These β-coefficient values from our data represent the strength and direction of the relationship between the haematological parameters (Hb and Ht) and the specific donor characteristics. A higher β-coefficient indicates a stronger influence of donor sex and donor type on these parameters, suggesting that these factors contribute significantly to the variation in the Hb and Ht levels. Based on our results, the comprehensive analysis of the entire statistical model of metabolic biomarkers revealed the following hierarchy: Hb > Ht > MCHC > MCV > RBC > MCH. The results obtained showed strong statistical relationships, as indicated by the high values of the key statistical indicators in our analysis. The coefficient of determination (R²) showed that the model explained a significant proportion of the variance in the data, while the F-test statistic confirmed the significance of the predictors. Conclusion: These strong statistical dependencies provided a clear justification for selecting this model over others, as it effectively represented the underlying relationships within the data. These statistics help to assess how well the model matches the actual data, thereby helping to reduce the risks associated with blood donation, optimise donor safety, and maintain the quality and efficiency of blood transfusion services.

Detangling past and modern zinc anthropogenic source contributions in an urbanized coastal river by combining elemental, isotope and speciation approaches

The accumulation of trace metals in the environmental compartments of coastal rivers is a global and complex environmental issue, requiring multiple tools to constrain the various anthropogenic sources and biogeochemical processes affecting the water quality of these environments. The Valao fluvio-estuarine system (Rio de Janeiro, Brazil) presents a challenging case of a coastal river contaminated by both modern and historical anthropogenic metal sources, located in the land and in the intra-estuary, continuously mixed by tidal cycles. This study employed a combination of spatial distribution analysis of trace metals including gadolinium (Gd), zinc (Zn) isotopic analyses, and X-ray absorption spectroscopy (XAS) to distinguish between these sources. The concentrations of metals in both dissolved (water samples) and surficial sediment compartments (Suspended Particulate Matter and sediment samples) display an overall enrichment trend from upstream to downstream. Multivariate statistical analysis allows to discriminate geogenic elements derived from watershed geology (Ti, K, and Mg) vs anthropogenic contaminants from urban runoff and domestic sewage discharges (Cu, Cr, Pb, Zn, and Gd); and legacy metal contaminants (Zn and Cd) remobilized from ancient metallurgical wastes and transported upstream in the estuary during tidal cycles. The anthropogenic Gd concentration in the dissolved compartment increases along the watercourse, highlighting continuous ongoing sewage discharge. Zinc solid speciation also indicates that Zn contribution from legacy metallurgy waste is primarily associated with sulfide-Zn and Zn-phyllosilicate in the outlet estuary, while in upstream sediments of fluvio-estuarine system, Zn is found bound to organic matter. Zinc isotope systematically reveals a progressive downstream shift to heavier isotope compositions. Upstream, the relatively pristine site and the urbanized section of the river exhibit a relatively uniform δ66/64Zn value (+0.20 ± 0.07 ‰) in suspended particulate matter (SPM) and surficial sediments. These results indicate that domestic sewage discharges contribute to Zn enrichment in sediments of the Valao fluvio-estuarine system but without modifying its isotope signature in sediments. The sediment of the downstream estuarine section shows a heavier δ66/64Zn value (+0.48 ± 0.08 ‰), indicating the strong influence of the intra-estuarine source identified as the historical metallurgic contamination. An integrated view of the geochemical tracers allows thus inferring that the untreated sewage and legacy metallurgical contamination are the primary sources of anthropogenic Zn contamination. It highlights the progressive mixing along the estuarine gradient under tidal dynamics. The influence of the former source continuously expands from the headland towards the estuary.

Hydrogeochemical and isotopic investigations of groundwater in the reclaimed desert located between EL Nasr canal and Mariut Tableland, NW Coast, Egypt

A complete understanding of groundwater dynamics and its interaction with surface water under the impact of agricultural activities is vital for local agriculture, ecology, and residents of dry regions, which is not commonly recognized in arid areas. This research outlines the geochemical characteristics, recharge sources, and potential factors impacting groundwater quality in a new land reclamation located in the small basin of Abu Mina, which is part of the Western Nile Delta region.1 Thirty-one groundwater samples and two surface water samples were collected in 2021 to represent the Pleistocene aquifer and were subjected to multivariate statistical, hydrochemical, and stable isotope analyses. Data analysis demonstrates that Na+ > Ca2+ > Mg2+ > K+ and SO42– > Cl– > HCO3– > NO3– are the predominant cations and anions, respectively. Groundwater salinity ranged from 465.60 to 6455.18 mg/l, with slightly alkaline. Most of the water samples fall into one of three types of facies: Ca–Cl, Na–Cl, and Mixed Ca–Mg–Cl, in decreasing order. The meteoric genesis index (r2) indicates that deep meteoric water percolation dominates the Pleistocene aquifer. The aquiline diagrams, correlation matrix, and different ionic ratios indicate that evaporation, reverse ion exchange reactions, and the dissolution of carbonate and silicate minerals are the main processes governing groundwater chemistry. Factor analysis (FA) indicated that three factors explain groundwater hydrochemistry, accounting for 71.98% of the total variance. According to the rotating components matrix (F1–F3), the chemistry of the Quaternary aquifer is principally affected by evaporation, ion exchange reactions, and anthropogenic influences. Additionally, salinity increases due to the return flow of irrigation activities and mixing between old and recent water. The stable isotopes (δ18O and δ2H) indicate that the Quaternary aquifer receives groundwater recharge through the return flow of excess irrigation and canal seepage. Under desert reclamation conditions, groundwater salinization processes should be given special consideration. All groundwater samples are appropriate for agricultural irrigation based on the Sodium Adsorption Ratio (SAR), Permeability Index (PI), Percent Sodium (%Na), and Residual Sodium Carbonate (RSC).

Comparative metabolites profiling of different solvent extracts of Asparagus species cladodes using liquid chromatography-mass spectrometry-based metabolomics and molecular networking.

Asparagus species are naturally distributed worldwide and are known for their pharmacological properties that offer cures for various ailments. However, the metabolic choreography of these Asparagus species is not well characterized, and the compounds contributing to their bioactivities remain unknown. This study aimed to profile and compare the metabolomes of three Asparagus species cladodes using different solvent extractions. An ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based metabolomics and molecular networking approach was used to study the effects of different solvents (ethyl acetate, methanol, and chloroform) with varying polarity on metabolites extraction and identification of bioactive compounds from three Asparagus species cladodes (Asparagus falcatus, Asparagus plumosus, and Asparagus densiflorus 'Meyersii'). Multivariate statistical analyses (mainly principal component analysis) revealed a significant separation between the three solvents and the three species, indicating notable metabolic differences. A total of 118 metabolites were identified in the three species extracted with the different solvents, with methanolic and chloroform extracts containing more metabolites compared with ethyl acetate extracts. These metabolites were identified as belonging to the flavonoids, cinnamic acids, organooxygen compounds, steroids, fatty acids, benzenes, and glycerophospholipids compound classes. Furthermore, these compounds classes were differentially distributed among the three species, indicating chemical/chemotaxis differences between the compared species. Chloroform and methanol are recommended as the optimal solvents to obtain a high content of phytochemical compounds from Asparagus species cladodes.

A Multivariate Investigation of Groundwater Chemistry Data in Barak River Valley, South Assam, India

ABSTRACTThe present study investigated seven physico‐chemical parameters (depth, pH, chloride, and hardness) and trace elements (arsenic [As], copper [Cu], and iron [Fe]) in the shallow aquifers of Barak River valley in Assam, India. All the physico‐chemical parameters were within the guideline value except pH; approximately 37.5% of the samples were below the guideline value (6.5–8.5). As ranged from 0 to 270 µg/L, Fe ranged from 1.43 to 61.03 mg/L, and Cu concentration ranged from 0 to 0.25 mg/L. All the samples for Fe, 83.33% for Cu and 70.84% for As were above the guideline value as prescribed by WHO or BIS. Further, the data were subjected to multivariate statistical analysis (MSA), including principal component analysis (PCA) and cluster analysis (CA), to investigate pollution sources. PCA identified three components, accounting for 72.42% of the total variance. The R‐mode CA identified two clusters, while the Q‐mode identified six clusters. The MSA results signified that human activities were more responsible than natural or geogenic processes for the deterioration of groundwater quality in the study area.

Complex thinking and adopting artificial intelligence tools: a study of university students

In the next 5 years, artificial intelligence (AI) tools are expected to become commonplace in people’s lives, especially in their work processes. Therefore, educational institutions feel intrinsically responsible for ensuring that their students acquire and develop competences associated with the appropriate use of this technology in their educational programs. However, what are the perceptions of students regarding the inclusion of artificial intelligence tools in their educational process and future careers, and what competencies can influence a greater adoption of this technology in the classroom? The objective of this article presents the results of an exploratory study in a sample population of students from a technological university in Mexico, in which their perception and openness toward the training and use of artificial intelligence tools for their professions was examined. Their perception of the development of complex thinking and its sub-competencies was evaluated, recognizing that complex thinking is a valuable cognitive skill to face changes in uncertain environments. The methodology of the study consisted of a multivariate descriptive statistical analysis using R software. The results determined a positive correlation between students’ perceived improvement in the achievement of complex thinking competence and their perception of the use of AI tools. In conclusion, participants perceived the use of these tools as a feature of their profession, although they questioned whether this knowledge is included in their professional training. This article presents several findings that offer ample opportunities for future research.

Sources, Distribution, and Health Implications of Heavy Metals in Street Dust across Industrial, Capital City, and Peri-Urban Areas of Bangladesh

Heavy metals in road dusts can directly pose significant health risks through ingestion, inhalation, and dermal contact. This study investigated the pollution, distribution, and health effect of heavy metals in street dust from industrial, capital city, and peri-urban areas of Bangladesh. Inductively coupled plasma mass spectrometry (ICP-MS) examined eight hazardous heavy metals such as Zn, Cu, Pb, Ni, Mn, Cr, Cd, and Co. Results revealed that industrial areas showed the highest metal concentrations, following the order Mn > Zn > Cr > Pb > Ni > Co > Cd, with an average level of 444.35, 299.25, 238.31, 54.22, 52.78, 45.66, and 2.73 mg/kg, respectively, for fine particles (≤20 μm). Conversely, multivariate statistical analyses were conducted to assess pollution levels and sources. Anthropogenic activities like traffic emissions, construction, and industrial processing were the main pollution sources. A pollution load index revealed that industrial areas had significantly higher pollution (PLI of 2.45), while the capital city and peri-urban areas experienced moderate pollution (PLI of 1.54 and 1.59). Hazard index values were below the safety level of 1, but health risk evaluations revealed increased non-carcinogenic risks for children, especially from Cr, Ni, Cd, and Pb where Cr poses the highest cancer risk via inhalation, with values reaching 1.13 × 10−4–5.96 × 10−4 falling within the threshold level (10−4 to 10−6). These results underline the need for continuous environmental monitoring and pollution control in order to lower health hazards.

Dynamic aromatics: Evaluating fragrance quality shifts and implementation of real-time rapid detection in Hedychium cut flowers during senescence

The postharvest fragrance quality of aromatic cut flowers is crucial, yet efficient and rapid detection methods are lacking. To develop a rapid and accurate method for evaluating the fragrance quality during the senescence of aromatic cut flowers, this study first utilized HS–SPME–GC–MS to analyze the fragrance of six Hedychium cultivars cut flowers at different stages postharvest (bud, semi-open, full bloom, and senescence), identifying 69 compounds. Multivariate statistical analysis revealed significant during full bloom, with monoterpenoids predominant in ‘ZS’, ‘EM’, ‘Gaoling’, and ‘Jin’, and benzenoids/phenylpropanoids in ‘MH’. Concurrently, PTR–ToF–MS detected 68 masses consistent with GC–MS results. PLS–DA analysis identified eucalyptol, benzyl acetate, linalool, (E)-β-ocimene, methyl benzoate, and masses m/z 91.057, m/z 137.134, m/z 81.07, m/z 102.096, m/z 31.019 as potential markers for distinguishing Hedychium varieties. Additionally, PLS analysis identified masses m/z 58.078, m/z 103.076, and m/z 155.144 as predictors of agarospirol content; m/z 73.065, m/z 74.069, m/z 151.151 for eucalyptol, and m/z 27.021, m/z 31.019, m/z 41.039, m/z 43.054, m/z 55.054, m/z 57.033, m/z 70.077, m/z 72.056, m/z 88.079, m/z 91.057, m/z 92.065, and m/z 108.089 for benzyl acetate. The results provide new methods for efficient fragrance evaluation during the postharvest senescence of aromatic flower.

Radiological characterisation of freshwater fish species from strategic locations in Bangladesh

A radiological assessment of inland freshwater fishes of wetland haor zones, near a uranium mine and Rooppur Nuclear Power Plant (RNPP) areas, was performed. Gamma spectrometric analysis showed the accumulation of 226Ra, 228Ra, and 40K in all studied fishes, with varying degree levels of concentrations. The average radioactivity levels of 226Ra, 228Ra and 40K in haor fish samples ranged from 2.76 ± 1.51 to 22.02 ± 3.81 Bq kg−1, 1.78 ± 0.69 to 21.53 ± 1.40 Bq kg−1 and 405.51 ± 22.04 to 749.80 ± 42.65 Bq kg−1, respectively. Conversely, the respective values for Bata fish samples of Rooppur Nuclear power plant sites varied from 2.66 ± 0.80 to 6.62 ± 0.81 Bq kg−1, 2.31 ± 0.62 to 5.18 ± 49.81 Bq kg−1 and 342.00 ± 4.98 to 461.45 ± 18.00 Bq kg−1, respectively. Activity levels of Taki fish (Channa punctatus) from haors zones were almost 3–4 times higher than the Meni fish (Nundus nundus) of the same locations and Bata fish (Labeo bata) of the RNPP site. The general public may attain doses of 244.54 µSv from the consumption of haor fish and 84.02 µSv from the fish of the RNPP sites yearly. The chance of an increase in cancer risk from intake of haor fish was higher than the ICRP values of 2.9 × 10−4. Univariate statistics showed that 226Ra and 228Ra radionuclides do not normally distribute, whereas 40K is normally distributed in the studied fish species. Multivariate statistical analysis demonstrated that the radioactivity and estimated radiological parameters are strongly positively correlated with 226Ra and 228Ra, and also positively correlated with 40K. Hence, it indicated that the contents in the freshwater fish species are usually controlled and influenced by similar geogenic sources and occur together. It is presumed that the radiological risk is mostly associated with and dominated by the uranium and thorium series and non-series 40K radionuclides in the freshwater fish species.

Metabolomics analysis of bioactive compositions of Michelia macclurei Dany and its antioxidant and enzyme inhibitory activities.

Michelia macclurei Dandy is a traditional Chinese medicinal plant, but little is understood about the bioactive compositions and biological potential of its different parts, limiting their applications. This study aims to identify the bioactive compositions and analyze differences in accumulation patterns from different parts of Michelia macclurei (heartwood, sapwood, bark, root, leaf, and fruit) using metabolomics. It also seeks to explore their biological potential and analyze the relationship between the bioactive compositions and biological potential. A total of 63 volatile metabolites (VMs) were identified by gas chromatography-mass spectrometry (GC-MS) in six parts, and the VMs in each part were dominated by sesquiterpenes and their derivatives (71.40-88.32%). Six parts of Michelia macclurei contained structurally diverse non-volatile metabolites (NVMs) with a total of 207 bioactive compounds, including 92 alkaloids, 30 flavonoids, 19 lignans, and 18 organic acids, utilizing ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) analysis. Multivariate statistical analysis showed that the accumulation patterns of bioactive compositions differed significantly among the different parts, and the 25 VMs and 72 NVMs could be considered potential markers for distinguishing the different parts of Michelia macclurei. The excellent antioxidant and enzyme inhibitory capacity of extracts of all six parts was indicated by in vitro bioactivity assays. Pearson's correlation analysis showed that the bioactive compositions in the six parts were significantly correlated with antioxidant and enzyme inhibitory activities. This study offers helpful information on the distribution of bioactive compositions in different parts of Michelia macclurei and confirms the excellent antioxidant, and enzyme inhibitory potential of its extracts, which could provide scientific evidence for its potential applications in the pharmaceutical industry, cosmetics, and functional foods. © 2024 Society of Chemical Industry.

Chemometric-based analysis and bioassay guided identification of potent compounds with intestinal motility promoting effects from Dalitong Granules

Ethnopharmacological relevanceDalitong Granules (DLT), a potent Traditional Chinese Medicine known for its ability to promote gastrointestinal motility, is widely used in clinical practice for the treatment of Functional Dyspepsia (FD). Despite the remarkable clinical efficacy of DLT, the specific components responsible for its effectiveness remains unclear. Aim of the studyThe study aimed to identify potential active ingredients of DLT for treating FD through spectrum-effect relationship analysis, multivariate statistical analysis and network pharmacology analysis. The efficacy of these identified compounds was subsequently validated using the zebrafish intestinal peristalsis model. Materials and methodsThe fingerprints of various solvent-extracted DLT were analyzed using high performance liquid chromatography coupled with tandem high-resolution mass spectrometry. The intestinal motility-promoting activities of DLT extracted by different solvents were evaluated through an intestinal propulsion test in mice. Potential therapeutic substances in DLT for treating FD were screened via chemometric analysis based on spectrum-effect relationship analysis. The correlation between the intensity of common peaks in the total ion chromatogram and the pharmacodynamic indices was assessed using multivariate statistical analysis. Additionally, given the complexity of Traditional Chinese Medicine, which comprises multiple components and targets, a network pharmacology analysis was performed to investigate the potential active ingredients in DLT. Finally, the pharmacological effects of these compounds in DLT were validated using a zebrafish intestinal motility model. ResultsThrough spectral-effect relationships analysis and network pharmacology analysis, it was determined that ten ingredients in DLT contribute to the promotion of intestinal motility. In a zebrafish intestinal motility model, it was observed that eight chemicals (excluding tetrahydropalmatine) demonstrate favorable activity of promoting gastrointestinal motility. These findings suggest that these ingredients may serve as potential therapeutic agents for improving gastric motility disorders. ConclusionsThis study employed spectral-effect relationship and network pharmacology analysis to identify the active ingredients in DLT. The findings were then validated using a zebrafish intestinal peristalsis model. These results provide a scientific foundation for the clinical application of DLT as a key traditional herbal formula for managing FD.

Determinants of stunting in children aged 0–59 months in three regions of Burkina Faso

The Sahel is a region particularly characterized by undernutrition in several forms. In Burkina Faso, where several interventions have been carried out across the past several years, the nutritional situation of children under five years of age is still characterized by persistent stunting in the Est, Sahel, and Cascades regions. This study aims to understand the factors associated with the high prevalence of chronic malnutrition in these regions. National nutrition survey data as well as data from the Ministry of Water and Sanitation were used for bivariate and multivariate statistical analyses to identify factors statistically associated with stunting in children aged 0–59 months who participated in the national nutritional surveys from 2009 to 2019. Around one in ten mothers in all regions had no schooling at all. The improving of IYCF practice has a positive impact on the reduction of the prevalence of chronic malnutrition among children in the Cascades, Est and Sahel regions. In the three target regions, gender and province were significantly associated with stunting. Fever, diarrhea, vitamin A supplementation, household size, and maternal education level were also associated with stunting but only in the Sahel and Cascades regions. Overall, the results of the study show that the fight against stunting must be carried out in a multisectoral approach and target certain provinces particularly because stunting is not uniformly present in all provinces.

Hydrogeochemical processes controlling surface water quality for irrigation in a Mediterranean wetland ecosystem, Northeast Algeria.

Fetzara Lake, considered one of the most important wetlands in northeastern Algeria, was designated a Ramsar site in 2002. The waters in its watershed are affected by salinity, which influences their suitability for irrigation. To identify the factors influencing the quality of these surface waters, geochemical and statistical analyses were carried out on the basis of the results of chemical analyses of 51 samples collected, during two monitoring campaigns, from all the tributaries in the watershed. The findings show the dominance of three hydrochemical facies over the two campaigns: Na-Cl facies (55.17% and 22.73%) characterizes the waters water from Fetzara Lake outlet (drainage channel and wadi Meboudja), in relation to the influx of saliferous elements due to water evaporation in the lake. Ca-Mg-Cl (27.59% and 40.91%) and Ca-Mg-HCO3 (13.79%. and 13.79%) facies characterize the waters of the remaining tributaries, reflecting the dissolution of carbonate formations and the alteration of the Edough metamorphic basement. Multivariate statistical analysis, using principal component analysis (PCA), shows three water types: highly mineralized (EC > 3000µS/cm), moderately mineralized (1000 < EC < 3000µS/cm), and weakly mineralized (EC < 1000µS/cm). Evaporation and silicate weathering are the main mechanisms controlling water mineralization according to the different bivariate plots. Furthermore, cation exchange indices (CAI-I and CAI-II) reveal that these reactions involve the adsorption of Na+ and K+ onto clay minerals, as well as the simultaneous release of Ca2+ and Mg2+ ions. Finally, the various quality indices (SAR, %Na, RSC and KR) revealed that the water in 36% of tributaries is unsuitable for irrigation. These findings will provide important information on surface water quality in the study area, particularly for irrigation purposes, and will contribute to the thoughtful and sustainable management of this resource.

Investigating potential freshness indicators for packaged oysters through multivariate statistical analysis

Investigating potential freshness indicators for packaged oysters through multivariate statistical analysis

Spatial Metabolomics Profiling Reveals Curcumin Induces Metabolic Reprogramming in Three-Dimensional Tumor Spheroids.

Curcumin is widely recognized for its diverse antitumor properties, ranging from breast cancer to many other types of cancers. However, its role in the tumor microenvironment remains to be elucidated. In this study, we established a 3D tumor spheroids model that can simulate the growth environment of tumor cells and visualized the antitumor metabolic alteration caused by curcumin using mass spectrometry imaging technology. Our results showed that curcumin not only exerts a profound impact on the growth and proliferation of breast cancer cells but in situ multivariate statistical analysis also reveals the significant effect on the overall metabolic profile of tumor spheroids. Meanwhile, our visualization map characterized curcumin metabolic processes of reduction and glucuronidation in tumor spheroids. More importantly, abnormal metabolic pathways related to lipid metabolism and polyamine metabolism were also remodeled at the metabolite and gene levels after curcumin intervention. These insights deepen our comprehension of the regulatory mechanism of curcumin on the tumor metabolic network, furnishing powerful references for antitumor treatment.

Unveiling key drivers of economy-water system and transforming water use pattern into sustainable development: Inner-Shaan-Ning region in the Yellow River Basin

The economy-water system involves complex interactions between water resources and economic activities; fully understanding these complexities and balancing economic development with water resources consumption remains a significant challenge. This study develops a factorial multi-region input-output CNN-LSTM (FMCL) model through integrating deep learning (convolutional neural network and long short-term memory, CNN-LSTM) and multivariate statistical analysis (factorial design, FD) into a multi-region input-output (MRIO) framework. The FMCL model not only unveils the socioeconomic drivers underlying water consumption patterns, but also quantitatively assess complicated interactions within the economy-water system under multiple scenarios. The FMCL model is then applied to a typical water-scarce region in the Yellow River Basin (three provinces of Inner Mongolia, Shaanxi and Ningxia, abbreviated as Inner-Shaan-Ning region). The main findings are: (i) direct water consumption intensity, industrial structure (agriculture, manufacturing, construction, and accommodation & catering), and per capita household consumption constitute the key socioeconomic drivers of water consumption; (ii) among different shared socioeconomic pathways (SSPs), Inner Mongolia, Shaanxi, and Ningxia would achieve relatively high levels of economy-water sustainability under SSP2, which represents a pathway of moderate socioeconomic development trends; (iii) the interaction between accommodation & catering and per capita household consumption would be significant; compared to the baseline SSP2, interactive policies that focus on key factors would achieve higher economy-water sustainability; (iv) from 2026 to 2050, the optimal interactive policy in Inner-Shaan-Ning region could reduce annual water consumption per unit of GDP by 1.22%, 3.82% and 3.34%, respectively. These findings cannot only reveal the key drivers and their multi-dimensional interactions within the economy-water system, but also facilitate the transformation of water use pattern into sustainable development.

Heavy metals and metalloid contamination and risk evaluation in the surface sediment of the Bakkhali River estuary in Bangladesh

Current state of contamination and subsequent risk of contaminated sediment of a tidal river of Bangladesh was evaluated in the present study. Sediment samples were collected from five locations in the tributary of Bakkhali River estuary during summer (April) and winter (December) season, 2020. Collected samples were processed using standard protocol and the content of heavy metals (Cd, Cr, Cu, Pb and Zn) and metalloid (As), were analyzed by the Flame Atomic Absorption Spectrometer. Sediment contamination was evaluated by pollution load index (PLI), contamination factor (CF), degree of contamination (Cd), potential ecological risk index (PERI), non-carcinogenic and carcinogenic risk (CR) due to the dermal contact of the sediment. Multivariate statistical analysis such as principal component analysis (PCA) and cluster analysis (CA) were also applied to find out the possible sources of the contaminant in the sediment. Results showed the average concentration of As, Cd, Cr, Pb, Cu and Zn was 9.74 ± 3.57, 2.00 ± 0.85, 48.75 ± 8.92, 29.78 ± 8.39, 5.44 ± 2.03 and 56.94 ± 8.57 mg/kg, respectively. Concentration of Cu, Pb and Zn were within the recommended level whereas the concentration of As, Cd and Cr were suppressed the recommended level of WHO and FAO/WHO standards. PLI, CF and Cd revealed considerably low degree of contamination of the sediment. Geo-accumulation index indicated uncontaminated to moderately contaminated condition of the sediment. Although the values of enrichment factor revealed no potential enrichment for most of the metals, Cd showed a minor enrichment during the winter season. Based on the ecological risk assessment, the sediment from all of the sample locations was found to be of moderate to low risk. PCA and CA analysis revealed the origin of contaminants mainly from anthropogenic sources. Although different metals showed non-carcinogenic risk to the inhabitants, cancer risk values for dermal contact (CRderm) were much lower than 10−6 indicating no cancer risk for adult and child. However, the findings also revealed that children were more susceptible to CRderm compared to adults. The present study concluded that long term dermal contact of the sediment of Bakkhali River estuary will be contagious to the people. Therefore, regular monitoring of the estuarine environment is necessary so that contamination does not get worse.