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1.
Water Res ; 255: 121533, 2024 May 15.
Article En | MEDLINE | ID: mdl-38569359

Low-pressure mercury lamps emitting at 254 nm (UV254) are used widely for disinfection. However, subsequent exposure to visible light results in photoreactivation of treated bacteria. This study employed a krypton chloride excimer lamp emitting at 222 nm (UV222) to inactivate E. coli. UV222 and UV254 treatment had similar E. coli-inactivation kinetics. Upon subsequent irradiation with visible light, E. coli inactivated by UV254 was reactivated from 2.71-log to 4.75-log, whereas E. coli inactivated by UV222 showed negligible photoreactivation. UV222 treatment irreversibly broke DNA strands in the bacterium, whereas UV254 treatment primarily formed nucleobase dimers. Additionally, UV222 treatment caused cell membrane damage, resulting in wizened, pitted cells and permeability changes. The damage to the cell membrane was mainly due to the photolysis of proteins and lipids by UV222. Furthermore, the photolysis of proteins by UV222 destroyed enzymes, which blocked photoreactivation and dark repair. The multiple damages can be further evidenced by 4.0-61.1 times higher quantum yield in the photolysis of nucleobases and amino acids for UV222 than UV254. This study demonstrates that UV222 treatment damages multiple sites in bacteria, leading to their inactivation. Employing UV222 treatment as an alternative to UV254 could be viable for inhibiting microorganism photoreactivation in water and wastewater.

2.
Spectrochim Acta A Mol Biomol Spectrosc ; 313: 124165, 2024 May 15.
Article En | MEDLINE | ID: mdl-38493514

This study presents the design of a Surface-enhanced Raman scattering (SERS) substrate, COF@Ag, for the sensitive detection of Amoxicillin (AMX) in lake water and honey. Furthermore, the study investigates the role of covalent organic frameworks (COFs) in SERS detection. The characterization results demonstrate the capability of COFs to efficiently enrich Ag nanoparticles (AgNPs), resulting in a more concentrated distribution of hotspots and an enhanced electromagnetic field on the substrate. By employing density functional theory (DFT) simulation, the frontier electronic orbitals of COFs and AMX were analyzed, and the chemical bonds and weak interactions in the system were examined using the Interaction Region Indicator (IRI) method to propose potential enhancement mechanisms. In aqueous solutions, the linear range is 1 µg/L-30 µg/L, with a limit of detection (LOD) 0.279 µg/L. In lake water, the linear range span from 100 µg/L to 500 µg/L, with a detection limit of 8.244 µg/L. For honey, the linear range extend from 20 ng/g to 100 ng/g, with a detection limit of 2.917 ng/g. This method holds key significance in facilitating the rapid detection of amoxicillin and advancing the application of COFs in SERS.


Honey , Metal Nanoparticles , Metal-Organic Frameworks , Metal Nanoparticles/chemistry , Lakes , Silver/chemistry , Water , Spectrum Analysis, Raman/methods
4.
Article En | MEDLINE | ID: mdl-38323647

The control of viruses in water is critical to preventing the spread of infectious viral diseases. Many oxidants can inactivate viruses, and this study aims to systematically compare the disinfection effects of ozone (O3), peroxymonosulfate (PMS), and hydrogen peroxide (H2O2) on MS2 coliphage. The effects of oxidant dose and contact time on disinfection were explored, as were the disinfection effects of three oxidizing agents in secondary effluent. The 4-log inactivation of MS2 coliphage required 0.05 mM O3, 0.5 mM PMS, or 25 mM H2O2 with a contact time of 30 min. All three oxidants achieved at least 4-log disinfection within 30 min, and O3 required only 0.5 min. In secondary effluent, all three oxidants also achieved 4-log inactivation of MS2 coliphage. Excitation-emission matrix (EEM) results indicate that all three oxidants removed dissolved organic matter synchronously and O3 oxidized dissolved organic matter more thoroughly while maintaining disinfection efficacy. Considering the criteria of oxidant dose, contact time, and disinfection efficacy in secondary effluent, O3 is the best choice for MS2 coliphage disinfection among the three oxidants.

5.
J Control Release ; 367: 339-353, 2024 Mar.
Article En | MEDLINE | ID: mdl-38278368

Transforming macrophages into the anti-inflammatory M2 phenotype could markedly strengthen inflammatory bowel disease (IBD) treatment, which is considered as a promising strategy. However, the high ferroptosis sensitivity of M2 macrophages, which decreases their activity, is a major stumbling block to this strategy. Therefore, promoting M2 polarization while simultaneously inhibiting ferroptosis to tackle this challenge is indispensable. Herein, a calcium­carbonate (CaCO3) mineralized liposome encapsulating a ferroptosis inhibitor (Fer-1) was developed (CaCO3@Lipo@Fer-1, CLF). The CaCO3 mineralized coating shields the liposomes to prevent the release of Fer-1 in circulation, while releasing Ca2+ in the acidic-inflammatory environment. This released Ca2+ promotes M2 polarization through the CaSR/AKT/ß-catenin pathway. The subsequently released Fer-1 effectively upregulates GSH and GPX4, scavenges reactive oxygen species, and inhibits ferroptosis in M2 macrophages. In vivo, CLF improved the targeting efficiency of IBD lesions (about 4.17-fold) through the epithelial enhanced permeability and retention (eEPR) effect and enhanced IBD therapy by increasing the M2/M1 macrophage ratio and inhibiting ferroptosis. We demonstrate that the synergistic regulation of macrophage polarization and ferroptosis sensitivity by this mineralized nanoinhibitor is a viable strategy for IBD therapy.


Ferroptosis , Inflammatory Bowel Diseases , Humans , Macrophages/metabolism , Inflammatory Bowel Diseases/drug therapy , Inflammatory Bowel Diseases/metabolism , Anti-Inflammatory Agents/pharmacology , Phenotype
6.
Biomaterials ; 306: 122474, 2024 Apr.
Article En | MEDLINE | ID: mdl-38271788

Repolarizing the tumor-associated macrophages (TAMs) towards the antitumoral M1-like phenotype has been a promising approach for cancer immunotherapy. However, the anti-cancer immune response is severely limited mainly by the repolarized M1-like macrophages belatedly returning to the M2-like phenotype (i.e., negative feedback). Inspired by nitric oxide (NO) effectively preventing repolarization of inflammatory macrophages in inflammatory diseases, herein, we develop an arginine assembly, as NO nano-donor for NO generation to prevent the negative feedback of the macrophage repolarization. The strategy is to first apply reversible tagging of hydrophobic terephthalaldehyde to create an arginine nano-assembly, and then load a toll-like receptor 7/8 agonist resiquimod (R848) (R848@Arg). Through this strategy, a high loading efficiency of 40 % for the arginine and repolarization characteristics for TAMs can be achieved. Upon the macrophage repolarization by R848, NO can be intracellularly generated from the released arginine by the upregulated inducible nitric oxide synthase. Mechanistically, NO effectively prevented the negative feedback of the repolarized macrophage by mitochondrial dysfunction via blocking oxidative phosphorylation. Notably, R848@Arg significantly increased the tumor inhibition ratio by 3.13-fold as compared to the free R848 by maintaining the M1-like phenotype infiltrating into tumor. The Arg-assembly as NO nano-donor provides a promising method for effective repolarization of macrophages.


Mitochondrial Diseases , Neoplasms , Humans , Nitric Oxide Donors , Feedback , Macrophages , Neoplasms/pathology , Adjuvants, Immunologic/pharmacology , Nitric Oxide/pharmacology , Immunotherapy/methods , Mitochondrial Diseases/pathology , Tumor Microenvironment
7.
Microbiol Spectr ; 12(2): e0283823, 2024 Feb 06.
Article En | MEDLINE | ID: mdl-38197658

Acne vulgaris caused by antibiotic-resistant Cutibacterium acnes (C. acnes) infection is difficult to treat conventionally. Phages have been suggested as a potential solution, but research on the mechanism of phage treatment is inadequate. This research investigates the underlying molecular mechanisms of phage φPaP11-13 attenuating C. acnes-induced inflammation in rat models. We found that rats infected with C. acnes had higher average ear thickness, greater enrichment of inflammatory cells as shown by hematoxylin-eosin (HE) staining, and fewer TUNEL (TdT-mediated dUTP Nick-End Labeling)-positive keratinocytes visualized by IF staining. Moreover, an increase of IGF-1 and IGF-1 receptor (IGF-1r) was detected using the immunohistochemical (IHC) staining method, Western blot (WB), and quantitative real-time PCR (qRT-PCR) when infected with C. acnes, which was decreased after the application of phage φPaP11-13. By applying the IGF-1 antibody, it was demonstrated that the severity of C. acnes-induced inflammation was relevant to the expression of IGF-1. Through WB and qRT-PCR, activation of the PI3K/Akt pathway and a down-regulation of the BAD-mediated apoptosis pathway were discovered after C. acnes infection. Subsequently, it was shown that the activation of the PI3K/Akt pathway against BAD-mediated apoptosis pathway was alleviated after applying phage φPaP11-13. Furthermore, applying the IGF-1r inhibitor, Pan-PI3K inhibitor, and Akt inhibitor reversed the changing trends of BAD induced by C. acnes and phage φPaP11-13. This study demonstrates that one of the critical mechanisms underlying the attenuation of acne vulgaris by phage φPaP11-13 is lysing C. acnes and regulating keratinocyte apoptosis via the PI3K/Akt signaling pathway.IMPORTANCECutibacterium acnes infection-induced acne vulgaris may cause severe physical and psychological prognosis. However, the overuse of antibiotics develops drug resistance, bringing challenges in treating Cutibacterium acnes. Bacteriophages are currently proven effective in MDR (multiple drug-resistant) Cutibacterium acnes, but there is a significant lack of understanding of phage therapy. This study demonstrated a novel way of curing acne vulgaris by using phages through promoting cell death of excessive keratinocytes in acne lesions by lysing Cutibacterium acnes. However, the regulation of this cell cycle has not been proven to be directly mediated by phages. The hint of ternary relation among "phage-bacteria-host" inspires huge interest in future phage therapy studies.


Acne Vulgaris , Bacteriophages , Animals , Rats , Insulin-Like Growth Factor I/metabolism , Phosphatidylinositol 3-Kinases/metabolism , Proto-Oncogene Proteins c-akt/metabolism , Keratinocytes/metabolism , Keratinocytes/pathology , Acne Vulgaris/microbiology , Propionibacterium acnes/metabolism , Inflammation/metabolism , Apoptosis
8.
Environ Int ; 183: 108366, 2024 Jan.
Article En | MEDLINE | ID: mdl-38061247

BACKGROUND: Neonicotinoids are the most widely used insecticides. Laboratory studies have suggested that neonicotinoids are one potential obesogen, but relevant data are limited in human. OBJECTIVE: To examine the association between exposure to neonicotinoids and childhood obesity. METHODS: We investigated 442 children in Shanghai, East China and measured eight neonicotinoids (thiamethoxam, clothianidin, acetamiprid, imidacloprid, thiacloprid, nitenpyram, dinotefuran, and imidaclothiz) and four metabolites (N-desmethyl-thiamethoxam, N-desmethyl-clothianidin, N-desmethyl-acetamiprid, and 5-OH-imidacloprid) in urine. Body mass index (BMI) and waist circumference (WC) were used to identify general overweight/obesity and central obesity, respectively. Linear and logistic regression models based on generalized estimating equations were used to investigate the associations of urinary neonicotinoids and metabolites with BMI z-score, WC z-score, general overweight/obesity, and central obesity. RESULTS: Children with a positive detection of clothianidin and its metabolite had a marginally higher BMI z-score (regression coefficient (ß): 0.08, 95% confidence interval (95% CI): 0.01, 0.14) after adjusted for relevant covariates. After creatinine-adjusted concentration was trichotomized, compared to children with a negative detection, children in the high urinary concentration of acetamiprid and its metabolite had a low BMI z-score (ß: -0.19, 95%CI: -0.30, -0.08), children in the medium urinary concentration of neonicotinoids and metabolites other than thiamethoxam, clothianidin, acetamiprid, and their metabolites had a marginally higher BMI z-score (ß: 0.25, 95%CI: 0.03, 0.46), a higher WC z-score (ß: 0.24, 95%CI: 0.14, 0.33), and a higher odds of central obesity (odds ratio (OR): 2.16, 95% CI: 1.28, 3.63), and children in the medium urinary concentration of all neonicotinoids and metabolites had a higher odds of central obesity (OR: 1.55, 95%CI: 1.04, 2.33). Some associations showed sex- and age- related differences. CONCLUSION: Urinary neonicotinoids and metabolites were found to be differently associated with obesity-related indexes, which suggested that exposure to neonicotinoids might have a mixed effect on childhood obesity.


Guanidines , Insecticides , Pediatric Obesity , Thiazoles , Humans , Child , Thiamethoxam , Obesity, Abdominal , Overweight , China , Neonicotinoids/urine , Nitro Compounds , Insecticides/urine
9.
Chemosphere ; 349: 140774, 2024 Feb.
Article En | MEDLINE | ID: mdl-38016522

High altitude could influence the level of exposure to neonicotinoids, but relevant data remain limited for people living in Tibet. We investigated 476 Tibetan pregnant women from Lhasa of Tibet, China in 2021 and measured eight neonicotinoids and four metabolites in urine. Food consumption was investigated by a food frequency questionnaire. Health risk was assessed by using hazard quotient (HQ) and hazard index (HI) based on acceptable daily dose or chronic reference dose. Neonicotinoids and metabolites were overall detected in 56.5% of urine samples with a median concentration being 0.73 µg g-1 creatinine. Four neonicotinoids or metabolites were detected in more than 10% of urine samples, including N-desmethyl-acetamiprid (47.5%), clothianidin (15.5%), thiamethoxam (16.0%), and imidacloprid (10.5%). Annual household income, family smoking, and pre-pregnancy body mass index were associated with the detection frequencies of neonicotinoids. Pregnant women with a higher consumption frequency of wheat, rice, fresh vegetable, fresh fruit, beef and mutton, fresh milk, yoghourt, candy and chocolate, or carbonated drinks had a higher detection frequency of neonicotinoids. Both HQ and HI were less than one. There was an evident exposure to neonicotinoids in Tibetan pregnant women with both plant- and animal-derived food items as exposure sources, but a low health risk was found based on current safety thresholds.


Insecticides , Animals , Cattle , Humans , Female , Pregnancy , Tibet , Pregnant Women , Neonicotinoids , Thiamethoxam , Nitro Compounds
10.
Front Cell Infect Microbiol ; 13: 1180194, 2023.
Article En | MEDLINE | ID: mdl-37662009

Introduction: Pseudomonas aeruginosa (P.aeruginosa) is an important opportunistic pathogen with broad environmental adaptability and complex drug resistance. Single-molecule real-time (SMRT) sequencing technique has longer read-length sequences, more accuracy, and the ability to identify epigenetic DNA alterations. Methods: This study applied SMRT technology to sequence a clinical strain P. aeruginosa PA3 to obtain its genome sequence and methylation modification information. Genomic, comparative, pan-genomic, and epigenetic analyses of PA3 were conducted. Results: General genome annotations of PA3 were discovered, as well as information about virulence factors, regulatory proteins (RPs), secreted proteins, type II toxin-antitoxin (TA) pairs, and genomic islands. A genome-wide comparison revealed that PA3 was comparable to other P. aeruginosa strains in terms of identity, but varied in areas of horizontal gene transfer (HGT). Phylogenetic analysis showed that PA3 was closely related to P. aeruginosa 60503 and P. aeruginosa 8380. P. aeruginosa's pan-genome consists of a core genome of roughly 4,300 genes and an accessory genome of at least 5,500 genes. The results of the epigenetic analysis identified one main methylation sites, N6-methyladenosine (m6A) and 1 motif (CATNNNNNNNTCCT/AGGANNNNNNNATG). 16 meaningful methylated sites were picked. Among these, purH, phaZ, and lexA are of great significance playing an important role in the drug resistance and biological environment adaptability of PA3, and the targeting of these genes may benefit further antibacterial studies. Disucssion: This study provided a detailed visualization and DNA methylation information of the PA3 genome and set a foundation for subsequent research into the molecular mechanism of DNA methyltransferase-controlled P. aeruginosa pathogenicity.


Anti-Infective Agents , Pseudomonas aeruginosa , Pseudomonas aeruginosa/genetics , DNA Methylation , Phylogeny , Genomics , DNA
11.
Nutrients ; 15(15)2023 Aug 07.
Article En | MEDLINE | ID: mdl-37571426

Pancreatic lipase (PL) is a key hydrolase in lipid metabolism. Inhibition of PL activity can intervene in obesity, a global sub-health disease. The natural product is considered a good alternative to chemically synthesized drugs due to its advantages, such as low side effects. However, traditional experimental screening methods are labor-intensive and cost-consuming, and there is an urgent need to develop high-throughput screening methods for the discovery of anti-PL natural products. In this study, a high-throughput virtual screening process for anti-PL natural products is provided. Firstly, a predictable anti-PL natural product QSAR model (R2train = 0.9444, R2test = 0.8962) were developed using the artificial intelligence drug design software MolAIcal based on genetic algorithms and their conformational relationships. 1068 highly similar (FS > 0.8) natural products were rapidly enriched based on the structure-activity similarity principle, combined with the QSAR model and the ADMET model, for rapid prediction of a total of five potentially efficient anti-PL natural products (IC50pre < 2 µM). Subsequently, molecular docking, molecular dynamics simulation, and MMGBSA free energy calculation were performed to not only reveal the interaction of candidate novel natural products with the amino acid residues of PL but also to validate the stability of these novel natural compounds bound to PL. In conclusion, this study greatly simplifies the screening and discovery of anti-PL natural products and accelerates the development of novel anti-obesity functional foods.


Biological Products , Lipase , Molecular Docking Simulation , Lipase/metabolism , Flavonoids/pharmacology , Quantitative Structure-Activity Relationship , Artificial Intelligence , Pancreatic Hormones , Biological Products/pharmacology , Biological Products/chemistry , Enzyme Inhibitors/pharmacology , Enzyme Inhibitors/chemistry
12.
Environ Res ; 236(Pt 2): 116799, 2023 Nov 01.
Article En | MEDLINE | ID: mdl-37524156

The current sorbents used to remove Cr (VI) from electroplating wastewater are faced with some challenges including the difficulty in separating, regenerating, and safely disposing of adsorbed Cr species. To address these challenges, CuSx/TiO2 was developed to recover Cr (VI) from electroplating wastewater. CuSx/TiO2 had superior performance in removing Cr (VI), with the rate and capacity of approximately 9.36 mg g-1 h-1 and 68.8 mg g-1 at initial pH 4.0, respectively. Additionally, Cu2+ released from CuSx/TiO2 during Cr (VI) removal would come back to its external surface as the Cu(OH)2 precipitate at initial pH 4.0, which helped to prevent the generation of secondary pollution. The Cu(OH)2 precipitate would be decomposed into CuOx after calcination, which would then be transformed back into CuSx by re-sulfuration for regeneration. Hence, CuSx showed a magical induction effect on Cr (VI) recovery, and Cr (VI) from electroplating wastewater might be gradually enriched as Cr2O3 in the sandwich between CuSx and TiO2 through multiple regenerations and removals, which could be considered as a chromium ore resource for industrial applications when the amount of enriched Cr2O3 reached more than 30 wt%. Overall, CuSx/TiO2 showed great potential as a promising sorbent for Cr (VI) removal from electroplating wastewater.

13.
Macromol Rapid Commun ; 44(18): e2300212, 2023 Sep.
Article En | MEDLINE | ID: mdl-37265076

Herein, the effect of the diameter of polyamide 11 nanofibers (PA11 NFs) on their internal structures as well as thermal and mechanical properties is investigated. Aligned PA11 NFs with diameters ranging from 109 to 462 nm are prepared by the single-component solvent electrospinning of different PA11/1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) solutions (4-8 wt%) and subsequently characterized. Owing to the similar hydrogen bond formation within the NFs during electrospinning, all prepared NFs have δ'-phase crystals with similar crystallinities and crystallite sizes. However, the orientation of the δ'-phase crystals is disrupted in NFs with diameters less than 200 nm, due to the rapid solidification during electrospinning. The δ'-phase crystals are the most highly oriented within NFs having a fiber diameter of ≈300 nm, and the corresponding NF sheets exhibit the highest mechanical strength. A single PA11 NF with a fiber diameter of ≈300 nm also exhibits a good piezoelectric response (piezoelectric coefficient d33 = 2.1 pm V-1 ).


Nanofibers , Nylons , Nanofibers/chemistry
14.
Talanta ; 263: 124725, 2023 Oct 01.
Article En | MEDLINE | ID: mdl-37270860

Quinolone antibiotics have good antibacterial properties and are commonly used antibiotics in the dairy industry. Currently, the problem of excessive antibiotics in dairy products is very serious. As an ultra-sensitive detection technology, Surface-Enhanced Raman Scattering (SERS) was applied to the detection of quinolone antibiotics in this work. In order to classify and quantify three antibiotics (Ciprofloxacin, Norfloxacin, Levofloxacin) with highly similar molecular structures, a combination of magnetic COF-based SERS substrate and machine learning algorithms (PCA-k-NN, PCA-SVM, PCA-Decision Tree) was used. The classification accuracy of the spectral dataset could reach 100% and the results of LOD calculation were: CIP: 5.61 × 10-9M, LEV: 1.44 × 10-8M, NFX: 1.56 × 10-8M. This provides a new method for the detection of antibiotics in dairy products.


Ciprofloxacin , Norfloxacin , Levofloxacin , Anti-Bacterial Agents , Algorithms , Magnetic Phenomena
15.
Spectrochim Acta A Mol Biomol Spectrosc ; 299: 122834, 2023 Oct 15.
Article En | MEDLINE | ID: mdl-37178585

The detection of non-protein nitrogen adulterants is a major challenge in dairy testing. As a marker molecule of animal hydrolyzed protein, the presence of non-edible L-hydroxyproline (L-Hyp) molecules can be used to identify low-quality milk containing components of animal hydrolyzed protein. However, it is still difficult to detect L-Hyp directly in milk. The Ag@COF-COOH substrate in this paper can be used to realize label-free L-Hyp sensitive detection based on the hydrogen bond transition mechanism. To explore the mechanism, the binding sites of hydrogen bond interaction have been verified experimentally and computationally, and the charge transfer process was also explained in terms of HOMO/LOMO energy level. In conclusion, the quantitative models for L-Hyp in an aqueous environment and in milk were developed. The limit of detection (LOD) of L-Hyp in an aqueous environment could reach 8.18 ng/mL, with R2 of 0.982. The linear range of quantitative detection in milk was 0.5-1000 µg/mL and the LOD was as low as 0.13 µg/mL. In this work, a hydrogen bond interaction based Surface-enhanced Raman spectroscopy (SERS) method for the label-free detection of L-Hyp was proposed, which complemented the application of SERS technology in the detection of dairy products.


Metal Nanoparticles , Milk , Animals , Hydroxyproline/analysis , Hydrogen Bonding , Milk/chemistry , Spectrum Analysis, Raman/methods , Limit of Detection , Water/analysis , Metal Nanoparticles/chemistry
17.
Environ Pollut ; 325: 121439, 2023 May 15.
Article En | MEDLINE | ID: mdl-36921657

Tibetan people are one Chinese ethnic minority living in Qinghai-Tibet Plateau with an average altitude of more than 4500 m. High altitude could cause a different antibiotic exposure, but relevant information is limited in Tibetan people. We investigated 476 Tibetan pregnant women in Lhasa, Tibet in 2021 and measured 30 antibiotics from five categories in urine, including 13 veterinary antibiotics (VAs), five human antibiotics (HAs), and 12 human/veterinary antibiotics (H/VAs). Food consumption was investigated by a brief food frequency questionnaire. Health risk was assessed by hazard quotient (HQ) and hazard index (HI) based on acceptable daily intakes (ADIs). All antibiotics were overall detected in 34.7% of urine samples with the 75th percentile concentration of 0.19 ng/mL (0.35 µg/g creatinine). HAs, VAs, and H/VAs were respectively detected in 5.3%, 13.0%, and 25.0% of urine samples, with the 95th percentiles of 0.01 ng/mL (0.01 µg/g creatinine), 0.50 ng/mL (0.99 µg/g creatinine), and 3.58 ng/mL (5.02 µg/g creatinine), respectively. Maternal age, smoking of family members, and housework time were associated with detection frequencies of HAs, VAs, or sum of all antibiotics. Pregnant women with a more frequent consumption of fresh milk, egg, yoghourt, poultry meat, and fish had a higher detection frequency of VAs or H/VAs. Only ciprofloxacin and tetracycline had a HQ of larger than one based on microbiological effect in 1.26% and 0.21% of pregnant women, respectively and a HI of larger than one was found in 1.47% of pregnant women. The findings suggested that there was an evident antibiotic exposure from various sources in Tibetan pregnant women with some basic characteristics of pregnant women as potential predictors and several animal-derived food items were important sources of exposure to antibiotic with a fraction of pregnant women in the health risk related to microbiological disruption of gut microbiota.


Anti-Bacterial Agents , Biological Monitoring , Animals , Humans , Female , Pregnancy , Tibet , Anti-Bacterial Agents/analysis , Pregnant Women , Creatinine , Ethnicity , Minority Groups , China
18.
J Agric Food Chem ; 71(9): 4172-4183, 2023 Mar 08.
Article En | MEDLINE | ID: mdl-36825752

Astringency is a puckering or velvety sensation mainly derived from flavonoid compounds in food. The traditional experimental approach for astringent compound discovery was labor-intensive and cost-consuming, while machine learning (ML) can greatly accelerate this procedure. Herein, we propose the Flavonoid Astringency Prediction Database (FAPD) based on ML. First, the Molecular Fingerprint Similarities (MFSs) and thresholds of flavonoid compounds were hierarchically clustering analyzed. For the astringency threshold prediction, four regressions models (i.e., Gaussian Process Regression (GPR), Support Vector Regression (SVR), Random Forest (RF), and Gradient Boosted Decision Tree (GBDT)) were established, and the best model was RF which was interpreted by the SHapley Additive exPlanations (SHAP) approach. For the astringency type prediction, six classification models (i.e., RF, GBDT, Gaussian Naive Bayes (GNB), Support Vector Machine (SVM), k-Nearest Neighbor (kNN), and Stochastic Gradient Descent (SGD)) were established, and the best model was SGD. Furthermore, over 1200 natural flavonoid compounds were discovered and built into the customized FAPD. In FAPD, the astringency thresholds were achieved by RF; the astringency types were distinguished by SGD, and the real and predicted astringency types were verified by t-Distributed Stochastic Neighbor Embedding (t-SNE). Therefore, ML models can be used to predict the astringency threshold and astringency type of flavonoid compounds, which provides a new paradigm to research the molecular structure-flavor property relationship of food components.


Astringents , Flavonoids , Bayes Theorem , Databases, Factual , Machine Learning
19.
Anal Sci ; 39(4): 557-564, 2023 Apr.
Article En | MEDLINE | ID: mdl-36680670

Sodium thiocyanate (NaSCN) can be added to fresh milk to enhance the sterilization ability of the lactoperoxidase system (LP system) in milk, extending shelf life. However, excessive intake of NaSCN can be harmful to human health because it can prevent absorption of iodine leading to disease. Also NaSCN can be used as a marker to distinguish smokers from non-smokers. In this work, we successfully synthesized meatball-like Al2O3@Ag composite structures as surface-enhanced Raman scattering (SERS) substrates using a simple wet chemical method adapted to conventional laboratory conditions. The substrate exhibited strong SERS enhancement for NaSCN. Under the optimal experiment conditions, we obtained a detection limit of 0.28 µg L-1 and a quantification limit of 1 µg L-1, R2 = 0.992. Based on the analysis of the intensity of SERS characteristic peak, the substrate had good reproducibility and uniformity. In summary, the Al2O3@Ag composite structure achieved sensitive SERS detection of NaSCN. Combining the facile and low-cost methods, we believe that the SERS detection method developed in this work can be used as a potential candidate for biosensing applications in the future.


Aluminum Oxide , Aluminum Oxide/chemistry , Silver/chemistry , Spectrum Analysis, Raman , Microscopy, Electron, Transmission , Limit of Detection , Reproducibility of Results
20.
Spectrochim Acta A Mol Biomol Spectrosc ; 288: 122179, 2023 Mar 05.
Article En | MEDLINE | ID: mdl-36463624

The accurate detection of fructose in human urine can help prevent and screen for diseases such as fructokinase deficiency and hereditary fructose intolerance. Surface-enhanced Raman spectroscopy (SERS) is an analytical technique with selectivity and high sensitivity, which has been widely applied to the detection of targets with complex backgrounds. In this work, 4-mercaptophenylboronic acid (4-MPBA) was modified on the surface of silver nanoparticles (AgNPs) under mild conditions to obtain a boronic acid-functionalized SERS substrate for the detection of fructose in artificial urine. The detection mechanism was based on the deboronization reaction of 4-MPBA on the surface of AgNPs, which was induced by fructose, and the Raman signal of the generated thiophenol (TP) molecules was significantly enhanced by the silver nanoparticles, with a linear increase in SERS peak intensity at 1570 cm-1. We achieved the detection limits of 0.084 µmol/L in water and 0.535 µmol/L in urine by this method. The relative standard deviation (RSD) in the recovery experiments of urine ranged from 1.01 % to 2.22 %, and the whole detection time was less than 10 min, which indicated that this method is highly reliable for fructose detection and has a good prospect in bioassay and clinical medicine.


Metal Nanoparticles , Silver , Humans , Fructose/chemistry , Metal Nanoparticles/chemistry , Silver/chemistry , Spectrum Analysis, Raman/methods , Boric Acids/chemistry
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