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1.
Mikrochim Acta ; 191(5): 293, 2024 05 01.
Article in English | MEDLINE | ID: mdl-38691169

ABSTRACT

To address the need for facile, rapid detection of pathogens in water supplies, a fluorescent sensing array platform based on antibiotic-stabilized metal nanoclusters was developed for the multiplex detection of pathogens. Using five common antibiotics, eight different nanoclusters (NCs) were synthesized including ampicillin stabilized copper NCs, cefepime stabilized gold and copper NCs, kanamycin stabilized gold and copper NCs, lysozyme stabilized gold NCs, and vancomycin stabilized gold/silver and copper NCs. Based on the different interaction of each NC with the bacteria strains, unique patterns were generated. Various machine learning algorithms were employed for pattern discernment, among which the artificial neural networks proved to have the highest performance, with an accuracy of 100%. The developed prediction model performed well on an independent test dataset and on real samples gathered from drinking water, tap water and the Anzali Lagoon water, with prediction accuracy of 96.88% and 95.14%, respectively. This work demonstrates how generic antibiotics can be implemented for NC synthesis and used as recognition elements for pathogen detection. Furthermore, it displays how merging machine learning techniques can elevate sensitivity of analytical devices.


Subject(s)
Anti-Bacterial Agents , Copper , Gold , Metal Nanoparticles , Silver , Metal Nanoparticles/chemistry , Anti-Bacterial Agents/analysis , Anti-Bacterial Agents/chemistry , Gold/chemistry , Copper/chemistry , Silver/chemistry , Drinking Water/microbiology , Drinking Water/analysis , Neural Networks, Computer , Spectrometry, Fluorescence/methods , Machine Learning , Bacteria/isolation & purification , Fluorescent Dyes/chemistry , Vancomycin/chemistry , Water Microbiology , Kanamycin/analysis
3.
Arq Bras Cardiol ; 121(4): e20230644, 2024.
Article in Portuguese, English | MEDLINE | ID: mdl-38695475

ABSTRACT

BACKGROUND: No-reflow (NR) is characterized by an acute reduction in coronary flow that is not accompanied by coronary spasm, thrombosis, or dissection. Inflammatory prognostic index (IPI) is a novel marker that was reported to have a prognostic role in cancer patients and is calculated by neutrophil/lymphocyte ratio (NLR) multiplied by C-reactive protein/albumin ratio. OBJECTIVE: We aimed to investigate the relationship between IPI and NR in ST-segment elevation myocardial infarction (STEMI) patients undergoing primary percutaneous coronary intervention (pPCI). METHODS: A total of 1541 patients were enrolled in this study (178 with NR and 1363 with reflow). Lasso panelized shrinkage was used for variable selection. A nomogram was created based on IPI for detecting the risk of NR development. Internal validation with Bootstrap resampling was used for model reproducibility. A two-sided p-value <0.05 was accepted as a significance level for statistical analyses. RESULTS: IPI was higher in patients with NR than in patients with reflow. IPI was non-linearly associated with NR. IPI had a higher discriminative ability than the systemic immune-inflammation index, NLR, and CRP/albumin ratio. Adding IPI to the baseline multivariable logistic regression model improved the discrimination and net-clinical benefit effect of the model for detecting NR patients, and IPI was the most prominent variable in the full model. A nomogram was created based on IPI to predict the risk of NR. Bootstrap internal validation of nomogram showed a good calibration and discrimination ability. CONCLUSION: This is the first study that shows the association of IPI with NR in STEMI patients who undergo pPCI.


FUNDAMENTO: O no-reflow (NR) é caracterizado por uma redução aguda no fluxo coronário que não é acompanhada por espasmo coronário, trombose ou dissecção. O índice prognóstico inflamatório (IPI) é um novo marcador que foi relatado como tendo um papel prognóstico em pacientes com câncer e é calculado pela razão neutrófilos/linfócitos (NLR) multiplicada pela razão proteína C reativa/albumina. OBJETIVO: Nosso objetivo foi investigar a relação entre IPI e NR em pacientes com infarto do miocárdio com supradesnivelamento do segmento ST (IAMCSST) submetidos a intervenção coronária percutânea primária (ICPp). MÉTODOS: Um total de 1.541 pacientes foram incluídos neste estudo (178 com NR e 1.363 com refluxo). A regressão penalizada LASSO (Least Absolute Shrinkage and Select Operator) foi usada para seleção de variáveis. Foi criado um nomograma baseado no IPI para detecção do risco de desenvolvimento de NR. A validação interna com reamostragem Bootstrap foi utilizada para reprodutibilidade do modelo. Um valor de p bilateral <0,05 foi aceito como nível de significância para análises estatísticas. RESULTADOS: O IPI foi maior em pacientes com NR do que em pacientes com refluxo. O IPI esteve associado de forma não linear com a NR. O IPI apresentou maior capacidade discriminativa do que o índice de imunoinflamação sistêmica, NLR e relação PCR/albumina. A adição do IPI ao modelo de regressão logística multivariável de base melhorou a discriminação e o efeito do benefício clínico líquido do modelo para detecção de pacientes com NR, e o IPI foi a variável mais proeminente no modelo completo. Foi criado um nomograma baseado no IPI para prever o risco de NR. A validação interna do nomograma Bootstrap mostrou uma boa capacidade de calibração e discriminação. CONCLUSÃO: Este é o primeiro estudo que mostra a associação de IPI com NR em pacientes com IAMCSST submetidos a ICPp.


Subject(s)
C-Reactive Protein , Lymphocytes , Neutrophils , No-Reflow Phenomenon , Percutaneous Coronary Intervention , Predictive Value of Tests , ST Elevation Myocardial Infarction , Humans , ST Elevation Myocardial Infarction/blood , ST Elevation Myocardial Infarction/surgery , Male , Female , No-Reflow Phenomenon/blood , Middle Aged , C-Reactive Protein/analysis , Aged , Prognosis , Biomarkers/blood , Reproducibility of Results , Inflammation/blood , Risk Factors , Nomograms , Risk Assessment/methods , Lymphocyte Count , Reference Values
4.
Arq Bras Cardiol ; 121(4): e20230544, 2024.
Article in Portuguese, English | MEDLINE | ID: mdl-38695471

ABSTRACT

BACKGROUND: Ablation Index (AI) software has allowed better atrial fibrillation (AF) ablation results, but recurrence rates remain significant. Specific serum biomarkers have been associated with this recurrence. OBJECTIVES: To evaluate whether certain biomarkers could be used (either individually or combined) to predict arrhythmia recurrence after AI-guided AF ablation. METHODS: Prospective multicenter observational study of consecutive patients referred for AF ablation from January 2018 to March 2021. Hemoglobin, brain natriuretic peptide (BNP), C-reactive protein, high sensitivity cardiac troponin I, creatinine clearance, thyroid-stimulating hormone (TSH) and free thyroxine (FT4) were assessed for their ability to predict arrhythmia recurrence during follow-up. Statistical significance was accepted for p values of<0.05. RESULTS: A total of 593 patients were included - 412 patients with paroxysmal AF and 181 with persistent AF. After a mean follow-up of 24±6 months, overall single-procedure freedom from atrial arrhythmia was 76.4%. Individually, all biomarkers had no or only modest predictive power for recurrence. However, a TSH value >1.8 µUI/mL (HR=1.82 [95% CI, 1.89-2.80], p=0.006) was an independent predictor of arrhythmia recurrence. When assessing TSH, FT4 and BNP values in combination, each additional "abnormal" biomarker value was associated with a lower freedom from arrhythmia recurrence (87.1 % for no biomarker vs. 83.5% for one vs. 75.1% for two vs. 43.3% for three biomarkers, p<0.001). Patients with three "abnormal" biomarkers had a threefold higher risk of AF recurrence compared with no "abnormal" biomarker (HR=2.88 [95% CI, 1.39-5.17], p=0.003). CONCLUSIONS: When used in combination, abnormal TSH, FT4 and BNP values can be a useful tool for predicting arrhythmia recurrence after AI-guided AF ablation.


FUNDAMENTO: O software ablation index (AI) permitiu melhorar os resultados da ablação de fibrilação atrial (FA), mas as taxas de recorrência permanecem significativas. Biomarcadores séricos específicos têm sido associados a essa recorrência. OBJETIVOS: Avaliar se certos biomarcadores podem ser utilizados (individualmente ou combinados) para predizer a recorrência de FA pós ablação guiada pelo AI. MÉTODOS: Estudo multicêntrico, observacional, prospectivo de pacientes consecutivos, encaminhados para ablação de FA de janeiro de 2018 a março de 2021. Hemoglobina, peptídeo natriurético cerebral (BNP), proteína C reativa, troponina I ultrassensível, clearance de creatinina, Hormônio Tireoestimulante (TSH), e Tiroxina livre (T4) foram avaliados quanto à capacidade de prever a recorrência de arritmias durante o acompanhamento. Valores de p <0,05 foram aceitos como estatisticamente significativos. RESULTADOS: Um total de 593 pacientes foram incluídos ­ 412 com FA paroxística e 181 com FA persistente. Durante o seguimento médio de 24±6 meses, 76,4% não apresentaram recidiva após ablação. Individualmente, os biomarcadores demonstraram um valor preditivo baixo ou nulo para recorrência. No entanto, TSH >1,8 µUI/mL [HR=1,82 (IC95%, 1,89-2,80), p=0,006] foi um preditor independente de recorrência. Avaliando-se a combinação de TSH, FT4 e BNP, a adição de cada valor "anormal" foi associada a uma menor sobrevida livre de recorrência (87,1% se nenhum vs. 83,5% se um vs. 75,1% se dois vs. 43,3% se três biomarcadores, p<0,001). Doentes com três biomarcadores "anormais" apresentaram três vezes maior probabilidade de recorrência de FA, comparativamente aos que não apresentaram nenhum biomarcador "anormal" (HR=2,88 [IC95%, 1,39-5,17], p=0,003). CONCLUSÕES: Quando combinados, valores anormais de TSH, FT4 e BNP podem ser uma ferramenta útil para prever a recorrência de FA pós ablação guiada pelo AI.


Subject(s)
Atrial Fibrillation , Biomarkers , Catheter Ablation , Recurrence , Thyrotropin , Humans , Atrial Fibrillation/surgery , Atrial Fibrillation/blood , Biomarkers/blood , Male , Female , Prospective Studies , Middle Aged , Catheter Ablation/methods , Aged , Thyrotropin/blood , Natriuretic Peptide, Brain/blood , Predictive Value of Tests , C-Reactive Protein/analysis , Treatment Outcome , Thyroxine/blood , Risk Factors , Troponin I/blood
5.
Mikrochim Acta ; 191(5): 294, 2024 05 02.
Article in English | MEDLINE | ID: mdl-38698253

ABSTRACT

Early transition metal carbides (MXene) hybridized by precious metals open a door for innovative electrochemical biosensing device design. Herein, we present a facile one-pot synthesis of gold nanoparticles (AuNPs)-doped two-dimensional (2D) titanium carbide MXene nanoflakes (Ti3C2Tx/Au). Ti3C2Tx MXene exhibits high electrical conductivity and yields synergistic signal amplification in conjunction with AuNPs leading to excellent electrochemical performance. Thus Ti3C2Tx/Au hybrid nanostructure can be used as an electrode platform for the electrochemical analysis of various targets. We used screen-printed electrodes modified with the Ti3C2Tx/Au electrode and functionalized with different biorecognition elements to detect and quantify an antibiotic, ampicillin (AMP), and a mycotoxin, fumonisin B1 (FB1). The ultralow limits of detection of 2.284 pM and 1.617 pg.mL-1, which we achieved respectively for AMP and FB1 are far lower than their corresponding maximum residue limits of 2.8 nM in milk and 2 to 4 mg kg-1 in corn products for human consumption set by the United States Food and Drug Administration. Additionally, the linear range of detection and quantification of AMP and FB1 were, respectively, 10 pM to 500 nM and 10 pg mL-1 to 1 µg mL-1. The unique structure and excellent electrochemical performance of Ti3C2Tx/Au nanocomposite suggest that it is highly suitable for anchoring biorecognition entities such as antibodies and oligonucleotides for monitoring various deleterious contaminants in agri-food products.


Subject(s)
Ampicillin , Electrochemical Techniques , Fumonisins , Gold , Limit of Detection , Metal Nanoparticles , Titanium , Fumonisins/analysis , Gold/chemistry , Ampicillin/analysis , Ampicillin/chemistry , Metal Nanoparticles/chemistry , Electrochemical Techniques/methods , Electrochemical Techniques/instrumentation , Titanium/chemistry , Biosensing Techniques/methods , Milk/chemistry , Anti-Bacterial Agents/analysis , Electrodes , Food Contamination/analysis , Animals
6.
Mikrochim Acta ; 191(5): 296, 2024 05 03.
Article in English | MEDLINE | ID: mdl-38702534

ABSTRACT

A covalent organic framework-based strategy was designed for label-free colorimetric detection of pesticides. Covalent organic framework-based nanoenzyme with excellent oxidase-like catalytic activity was synthesized. Unlike other artificial enzymes, porphyrin-based covalent organic framework (p-COF) as the oxidase mimic showed highly catalytic chromogenic activity and good affinity toward TMB without the presence of H2O2, which can be used as substitute for peroxidase mimics and H2O2 system in the colorimetric reaction. Based on the fact that the pesticide-aptamer complex can inhibit the oxidase activity of p-COF and reduced the absorbance at 650 nm in UV-Vis spectrum, a label-free and facile colorimetric detection of pesticides was designed and fabricated. Under the optimized conditions, the COF-based colorimetric probe for pesticide detection displayed high sensitivity and selectivity. Taking fipronil for example the limit of detection was 2.7 ng/mL and the linear range was 5 -500,000 ng/mL. The strategy was successfully applied to the detection of pesticides with good recovery , which was in accordance with that of HPLC-MS/MS. The COF-based colorimetric detection was free of complicated modification H2O2, which guaranteed the accuracy and reliability of measurements. The COF-based sensing strategy is a potential candidate for the sensitive detection of pesticides of interests.


Subject(s)
Colorimetry , Limit of Detection , Metal-Organic Frameworks , Pesticides , Porphyrins , Colorimetry/methods , Pesticides/analysis , Metal-Organic Frameworks/chemistry , Porphyrins/chemistry , Hydrogen Peroxide/chemistry , Oxidoreductases/chemistry , Aptamers, Nucleotide/chemistry
7.
Med Sci Monit ; 30: e943126, 2024 May 05.
Article in English | MEDLINE | ID: mdl-38704632

ABSTRACT

BACKGROUND Severe anemia caused by hemorrhoidal hematochezia is typically treated preoperatively with reference to severe anemia treatment strategies from other etiologies. This retrospective cohort study included 128 patients with hemorrhoidal severe anemia admitted to 3 hospitals from September 1, 2018, to August 1, 2023, and aimed to evaluate preoperative blood transfusion requirements. MATERIAL AND METHODS Of 5120 patients with hemorrhoids, 128 (2.25%; male/female: 72/56) experienced hemorrhoidal severe anemia, transfusion, and Milligan-Morgan surgery. Patients were categorized into 2 groups based on their preoperative hemoglobin (PHB) levels after transfusion: PHB ≥70 g/L as the liberal-transfusion group (LG), and PHB <70 as the restrictive-threshold group (RG). The general condition, bleeding duration, hemoglobin level on admission, transfusion volume, length of stay, immune transfusion reaction, surgical duration, and hospitalization cost were compared between the 2 groups. RESULTS Patients with severe anemia (age: 41.07±14.76) tended to be younger than those with common hemorrhoids (age: 49.431±15.59 years). The LG had a significantly higher transfusion volume (4.77±2.22 units), frequency of immune transfusion reactions (1.22±0.58), and hospitalization costs (16.69±3.31 thousand yuan) than the RG, which had a transfusion volume of 3.77±2.09 units, frequency of immune transfusion reactions of 0.44±0.51, and hospitalization costs of 15.00±3.06 thousand yuan. Surgical duration in the LG (25.69±14.71 min) was significantly lower than that of the RG (35.24±18.72 min). CONCLUSIONS Patients with hemorrhoids with severe anemia might require a lower preoperative transfusion threshold than the currently recognized threshold, with an undifferentiated treatment effect and additional benefits.


Subject(s)
Anemia , Blood Transfusion , Hemorrhoids , Preoperative Care , Humans , Male , Female , Retrospective Studies , Anemia/therapy , Anemia/etiology , Blood Transfusion/methods , Middle Aged , Adult , Hemorrhoids/surgery , Hemorrhoids/complications , Preoperative Care/methods , Hemoglobins/analysis , Hemoglobins/metabolism , Length of Stay , Gastrointestinal Hemorrhage/surgery , Gastrointestinal Hemorrhage/etiology , Gastrointestinal Hemorrhage/therapy , Aged
8.
Arch Endocrinol Metab ; 68: e220480, 2024 May 06.
Article in English | MEDLINE | ID: mdl-38709148

ABSTRACT

Objective: The aim of this study was to evaluate the glycated hemoglobin (HbA1c) levels before and after sustained virologic response (SVR) and investigate the baseline characteristics associated with improved glycemic control in patients with chronic hepatitis C (CHC) achieving SVR after directacting antivirals (DAA) therapy. Materials and methods: Consecutive adult patients with CHC who achieved SVR after DAA treatment between January 2016 and December 2017 at Hospital de Clínicas de Porto Alegre (RS, Brazil) were prospectively included. Levels of HbA1c were measured up to 24 weeks before DAA therapy and 12 weeks after SVR. Exclusion criteria were decompensated cirrhosis, HIV and/or hepatitis B virus, liver disease of other etiologies, and/or modification of prediabetes/ type 2 diabetes mellitus (PDM/T2DM) management. The primary outcome was a comparison of HbA1c levels before and after SVR. Secondary outcomes were the baseline variables associated with improved glycemic control. Results: The study included 207 patients with a mean age of 60.6±10.7 years, of whom 51.7% were women, 56% had cirrhosis, 37.7% had HCV genotype 3, and 54.5% had baseline T2DM or PDM. The median HbA1c level reduced significantly after SVR (5.5%, interquartile range [IQR] 4.9%-6.3%) compared with baseline (5.7%, IQR 5.3%-6.7%; p = 0.01). The baseline characteristics associated with improved HbA1c after SVR were cirrhosis, genotype 3, and age ≤ 60 years. Conclusion: Among patients with CHC, SVR after DAA was associated with HbA1c reduction, particularly in those with cirrhosis, genotype 3, and age ≤ 60 years.


Subject(s)
Antiviral Agents , Blood Glucose , Glycated Hemoglobin , Hepatitis C, Chronic , Sustained Virologic Response , Humans , Female , Antiviral Agents/therapeutic use , Hepatitis C, Chronic/drug therapy , Hepatitis C, Chronic/blood , Male , Middle Aged , Glycated Hemoglobin/analysis , Blood Glucose/analysis , Blood Glucose/drug effects , Aged , Prospective Studies , Treatment Outcome , Hepacivirus/genetics , Hepacivirus/drug effects , Brazil , Adult , Diabetes Mellitus, Type 2/drug therapy , Diabetes Mellitus, Type 2/blood
9.
Sci Prog ; 107(2): 368504241253720, 2024.
Article in English | MEDLINE | ID: mdl-38715402

ABSTRACT

Ecosystems, biodiversity, and the human population all depend on a quality or uncontaminated environment. Quality environment provides people and wildlife access to nutrition, medications, dietary supplements, and other ecosystem services. The conservation of biodiversity-that is, species richness, abundance, heredities, and diversity-as well as the control of climate change are facilitated by such an uncontaminated environment. However, these advantages are jeopardized by newly emerging environmental chemical contaminants (EECCs) brought on by increased industrialization and urbanization. In developing countries, inadequate or poor environmental policies, infrastructure, and national standards concerning the usage, recycling, remediation, control, and management of EECCs hasten their effects. EECCs in these countries negatively affect biodiversity, ecological services and functions, and human health. This review reveals that the most deprived or vulnerable local communities in developing countries are those residing near mining or industrial areas and cultivating their crops and vegetables on contaminated soils, as is wildlife that forages or drinks in EECC-contaminated water bodies. Yet, people in these countries have limited knowledge about EECCs, their threats to human well-being, ecosystem safety, and the environment, as well as remediation technologies. Besides, efforts to efficiently control, combat, regulate, and monitor EECCs are limited. Thus, the review aims to increase public knowledge concerning EECCs in developing countries and present a comprehensive overview of the current status of EECCs. It also explores the sources and advancements in remediation techniques and the threats of EECCs to humans, ecosystems, and biodiversity.


Subject(s)
Biodiversity , Conservation of Natural Resources , Environmental Pollutants , Humans , Conservation of Natural Resources/methods , Environmental Pollutants/analysis , Environmental Restoration and Remediation/methods , Animals , Environmental Pollution/prevention & control , Ecosystem
10.
Rev Assoc Med Bras (1992) ; 70(4): e20231521, 2024.
Article in English | MEDLINE | ID: mdl-38716952

ABSTRACT

OBJECTIVE: This study aimed to investigate the value of miR-29a-3p, miR-27a, miR126-3p, miR-146a-5p, miR-625-3p, miR-130a, miR-32, miR-218, miR-131, and miR5196 in the diagnosis of axial spondyloarthritis and to determine whether there is a difference in miRNA expression levels between radiographic axial spondyloarthritis and non-radiographic axial spondyloarthritis, as well as the relationship between miRNA expression levels, disease activity, and uveitis history. METHODS: This study included 50 patients with axial spondyloarthritis (25 with radiographic axial spondyloarthritis and 25 with non-radiographic axial spondyloarthritis) and 25 healthy individuals. The fold change of miRNA expression for each miRNA was calculated using the 2-ΔΔCt method. RESULTS: The expression of all miRNAs except miR-130a was downregulated in axial spondyloarthritis patients (miR-27a: fold regulation: -11.21, p<0.001; miR-29a-3p: fold regulation: -2.63, p<0.001; miR-32: fold regulation: -2.94, p=0.002; miR-126-3p: fold regulation -10.94, p<0.001; miR-132: fold regulation: -2.18, p<0.001; miR-146-5p: fold regulation: -9.78, p<0.001; miR-218: fold regulation: -2.65, p<0.001; miR-625-3p: fold regulation: -2.01, p=0.001; miR-5196-3p: fold regulation: -7.04, p<0.001). The expression levels of these miRNAs did not differ significantly between non-radiographic axial spondyloarthritis and radiographic axial spondyloarthritis patients (p>0.05 for all). CONCLUSION: Particularly, miR-27a, miR-126-3p, miR-146-5p, and miR-5196-3p were found to be substantially downregulated in both non-radiographic axial spondyloarthritis and radiographic axial spondyloarthritis patients, suggesting their potential as diagnostic biomarkers for axial spondyloarthritis.


Subject(s)
Axial Spondyloarthritis , Biomarkers , Down-Regulation , MicroRNAs , Humans , MicroRNAs/genetics , MicroRNAs/analysis , Adult , Female , Male , Axial Spondyloarthritis/genetics , Axial Spondyloarthritis/diagnostic imaging , Biomarkers/analysis , Case-Control Studies , Middle Aged , Young Adult , Spondylarthritis/genetics , Spondylarthritis/diagnostic imaging
11.
Nat Commun ; 15(1): 3847, 2024 May 08.
Article in English | MEDLINE | ID: mdl-38719792

ABSTRACT

The development of reliable single-cell dispensers and substantial sensitivity improvement in mass spectrometry made proteomic profiling of individual cells achievable. Yet, there are no established methods for single-cell glycome analysis due to the inability to amplify glycans and sample losses associated with sample processing and glycan labeling. In this work, we present an integrated platform coupling online in-capillary sample processing with high-sensitivity label-free capillary electrophoresis-mass spectrometry for N-glycan profiling of single mammalian cells. Direct and unbiased quantitative characterization of single-cell surface N-glycomes are demonstrated for HeLa and U87 cells, with the detection of up to 100 N-glycans per single cell. Interestingly, N-glycome alterations are unequivocally detected at the single-cell level in HeLa and U87 cells stimulated with lipopolysaccharide. The developed workflow is also applied to the profiling of ng-level amounts (5-500 ng) of blood-derived protein, extracellular vesicle, and total plasma isolates, resulting in over 170, 220, and 370 quantitated N-glycans, respectively.


Subject(s)
Electrophoresis, Capillary , Glycomics , Mass Spectrometry , Polysaccharides , Single-Cell Analysis , Humans , Electrophoresis, Capillary/methods , Polysaccharides/metabolism , Polysaccharides/blood , Single-Cell Analysis/methods , HeLa Cells , Mass Spectrometry/methods , Glycomics/methods , Proteomics/methods , Extracellular Vesicles/metabolism , Lipopolysaccharides , Blood Proteins/analysis , Blood Proteins/metabolism
12.
Sci Rep ; 14(1): 9591, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719814

ABSTRACT

Vaping involves the heating of chemical solutions (e-liquids) to high temperatures prior to lung inhalation. A risk exists that these chemicals undergo thermal decomposition to new chemical entities, the composition and health implications of which are largely unknown. To address this concern, a graph-convolutional neural network (NN) model was used to predict pyrolysis reactivity of 180 e-liquid chemical flavours. The output of this supervised machine learning approach was a dataset of probability ranked pyrolysis transformations and their associated 7307 products. To refine this dataset, the molecular weight of each NN predicted product was automatically correlated with experimental mass spectrometry (MS) fragmentation data for each flavour chemical. This blending of deep learning methods with experimental MS data identified 1169 molecular weight matches that prioritized these compounds for further analysis. The average number of discrete matches per flavour between NN predictions and MS fragmentation was 6.4 with 92.8% of flavours having at least one match. Globally harmonized system classifications for NN/MS matches were extracted from PubChem, revealing that 127 acute toxic, 153 health hazard and 225 irritant classifications were predicted. This approach may reveal the longer-term health risks of vaping in advance of clinical diseases emerging in the general population.


Subject(s)
Flavoring Agents , Neural Networks, Computer , Pyrolysis , Vaping , Vaping/adverse effects , Flavoring Agents/chemistry , Flavoring Agents/analysis , Humans , Electronic Nicotine Delivery Systems
13.
Sci Rep ; 14(1): 10613, 2024 05 09.
Article in English | MEDLINE | ID: mdl-38719831

ABSTRACT

Chlorogenic acid (CA) is an effective ingredient that can strengthen immunity during following the COVID-19 era. The current cost of CA is high owing to its complex purification process and low yield (approximately 2%). In this study, a one-step path orthogonal experiment was designed based on the results from Gauss calculation, which consisted of acidity, coordination, and hydrolysis in molecules. The optimized extraction conditions were 60 â„ƒ, 60 min, 1:20 liquid ratio, and 40% ethanol in a nitrogen atmosphere controlled using a device of our own design, which led to CA yields of up to 6.35% from potato leaves. The purified CA was analyzed using high-performance liquid chromatography, thin-layer chromatography, ultraviolet-visible spectroscopy, and molecular fluorescence. This accurate and reproducible method can not only be used to obtain high yields of CA but can also be used for the quality control of active plant products and their isomers.


Subject(s)
Chlorogenic Acid , Plant Leaves , Solanum tuberosum , Chlorogenic Acid/analysis , Solanum tuberosum/chemistry , Plant Leaves/chemistry , Chromatography, High Pressure Liquid/methods , Chromatography, Thin Layer/methods
14.
Sci Rep ; 14(1): 10556, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719847

ABSTRACT

Fertilization with nickel (Ni) can positively affect plant development due to the role of this micronutrient in nitrogen (N) metabolism, namely, through urease and NiFe-hydrogenase. Although the application of Ni is an emerging practice in modern agriculture, its effectiveness strongly depends on the chosen application method, making further research in this area essential. The individual and combined effects of different Ni application methods-seed treatment, leaf spraying and/or soil fertilization-were investigated in soybean plants under different edaphoclimatic conditions (field and greenhouse). Beneficial effects of the Soil, Soil + Leaf and Seed + Leaf treatments were observed, with gains of 7 to 20% in biological nitrogen fixation, 1.5-fold in ureides, 14% in shoot dry weight and yield increases of up to 1161 kg ha-1. All the Ni application methods resulted in a 1.1-fold increase in the SPAD index, a 1.2-fold increase in photosynthesis, a 1.4-fold increase in nitrogenase, and a 3.9-fold increase in urease activity. Edaphoclimatic conditions exerted a significant influence on the treatments. The integrated approaches, namely, leaf application in conjunction with soil or seed fertilization, were more effective for enhancing yield in soybean cultivation systems. The determination of the ideal method is crucial for ensuring optimal absorption and utilization of this micronutrient and thus a feasible and sustainable management technology. Further research is warranted to establish official guidelines for the application of Ni in agricultural practices.


Subject(s)
Fertilizers , Glycine max , Nickel , Soil , Glycine max/growth & development , Glycine max/drug effects , Glycine max/metabolism , Fertilizers/analysis , Soil/chemistry , Urease/metabolism , Plant Leaves/growth & development , Plant Leaves/metabolism , Plant Leaves/drug effects , Nitrogen Fixation/drug effects , Nitrogen/metabolism , Photosynthesis/drug effects , Seeds/growth & development , Seeds/drug effects , Seeds/metabolism , Agriculture/methods
15.
Sci Rep ; 14(1): 10528, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719861

ABSTRACT

The current study aimed to assess the effect of the germination process of wild mustard seeds on the phenolic profile, antioxidant, antibacterial, and antidiabetic properties, and some relevant enzyme activities. The total phenolic and flavonoid contents increased 5- and 10-fold, respectively, and were maximized on 5-days sprouts. One new phenolic compound was identified on 5-days sprout extract using HPLC. The concentrations of the identified phenolic compounds increased 1.5-4.3 folds on 5-days sprouts compared with dry seeds. The total antioxidant activity multiplied 17- and 21-fold on 5-days sprouts using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) assays, respectively. The activity of carbohydrate-cleaving, phenolic-synthesizing and antioxidant enzymes also increased during germination. On 5-days sprouts, there was a substantial correlation between the highest ß-glucosidase and peroxidase activities with highest phenolic and flavonoid levels and maximum antioxidant activity. The phenolic extract of 5-days sprouts exhibited antimicrobial activities against Escherichia coli and Staphylococcus aureus and showed potent antidiabetic activity established by its inhibitory effect against α-amylase and α-glucosidase compared to dry seeds.


Subject(s)
Antioxidants , Germination , Mustard Plant , Phenols , Plant Extracts , Seeds , Phenols/analysis , Phenols/pharmacology , Phenols/chemistry , Antioxidants/pharmacology , Antioxidants/chemistry , Germination/drug effects , Seeds/chemistry , Plant Extracts/pharmacology , Plant Extracts/chemistry , Mustard Plant/chemistry , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Flavonoids/analysis , Flavonoids/pharmacology , Flavonoids/chemistry , Hypoglycemic Agents/pharmacology , Hypoglycemic Agents/chemistry , Chromatography, High Pressure Liquid
16.
Sci Rep ; 14(1): 10585, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719868

ABSTRACT

Here, a comprehensive study was designed to estimate the human risk assessment attributed to exposure of polycyclic aromatic hydrocarbons (PAHs)in sediment and fish in most polluted shore area in north of Persian Gulf. To this end, a total of 20 sediment and inhabitual Fish, as one of most commercial fish, samples were randomly collected from 20 different stations along Bushehr Province coastline. The 16 different components of PAHs were extracted from sediment and edible parts of inhabitual fish and measured with high-performance liquid chromatography (HPLC) and gas chromatography (GC), respectively. In addition, dietary daily intake (DDI) values of PAHs via ingestion Indian halibut and the incremental lifetime cancer risk (ILCR) attributed to human exposure to sediments PAHs via (a) inhalation, (b) ingestion, and (c) dermal contact for two groups of ages: children (1-11 years) and adults (18-70 years) were estimated. The results indicated that all individual PAHs except for Benzo(b)flouranthene (BbF) and Benzo(ghi) perylene (BgP) were detected in different sediment sample throughout the study area with average concentration between 2.275 ± 4.993 mg.kg-1 dw. Furthermore, Naphthalene (Nap) with highest average concentration of 3.906 ± 3.039 mg.kg-1 dw was measured at the Indian halibut. In addition, the human risk analysis indicated that excess cancer risk (ECR) attributed to PAHs in sediment and fish in Asaluyeh with high industrial activities on oil and derivatives were higher the value recommended by USEPA (10-6). Therefore, a comprehensive analysis on spatial distribution and human risk assessment of PAHs in sediment and fish can improve the awareness on environmental threat in order to aid authorities and decision maker to find a sustainable solution.


Subject(s)
Fishes , Geologic Sediments , Polycyclic Aromatic Hydrocarbons , Humans , Polycyclic Aromatic Hydrocarbons/analysis , Polycyclic Aromatic Hydrocarbons/toxicity , Geologic Sediments/analysis , Geologic Sediments/chemistry , Indian Ocean , Animals , Risk Assessment , Adult , Water Pollutants, Chemical/analysis , Child , Adolescent , Middle Aged , Young Adult , Child, Preschool , Aged , Infant , Environmental Monitoring
17.
Sci Rep ; 14(1): 10592, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719900

ABSTRACT

Umbelliferous (Apiaceae) vegetables are widely consumed worldwide for their nutritive and health benefits. The main goal of the current study is to explore the compositional heterogeneity in four dried umbelliferous vegetables viz, celery, coriander, dill, and parsley targeting their volatile profile using gas chromatography-mass spectrometry (GC-MS). A total of 133 volatile metabolites were detected belonging to 12 classes. Aromatic hydrocarbons were detected as the major components of the analyzed vegetables accounting ca. 64.0, 62.4, 59.5, and 47.8% in parsley, dill, celery, and coriander, respectively. Aliphatic hydrocarbons were detected at ca. 6.39, 8.21, 6.16, and 6.79% in parsley, dill, celery, and coriander, respectively. Polyunsaturated fatty acids (PUFA) of various health benefits were detected in parsley and represented by roughanic acid and α-linolenic acid at 4.99 and 0.47%, respectively. Myristicin and frambinone were detected only in parsley at 0.45 and 0.56%. Investigation of antibacterial activity of umbelliferous vegetables n-hexane extract revealed a moderate antibacterial activity against Gram-positive and Gram-negative bacteria with higher activity for celery and dill against Staphylococcus aureus with inhibition zone 20.3 mm compared to 24.3 mm of the standard antibacterial drug.


Subject(s)
Anti-Bacterial Agents , Gas Chromatography-Mass Spectrometry , Hexanes , Phytochemicals , Vegetables , Anti-Bacterial Agents/pharmacology , Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/analysis , Vegetables/chemistry , Phytochemicals/chemistry , Phytochemicals/analysis , Phytochemicals/pharmacology , Hexanes/chemistry , Apiaceae/chemistry , Microbial Sensitivity Tests , Allylbenzene Derivatives , alpha-Linolenic Acid/analysis , alpha-Linolenic Acid/pharmacology , Oils, Volatile/pharmacology , Oils, Volatile/chemistry , Plant Oils/pharmacology , Plant Oils/chemistry , Plant Extracts/pharmacology , Plant Extracts/chemistry , Fatty Acids, Unsaturated/analysis , Staphylococcus aureus/drug effects , Dioxolanes
18.
Sci Rep ; 14(1): 10554, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719903

ABSTRACT

Sarcopenia greatly reduces the quality of life of the elderly, and iron metabolism plays an important role in muscle loss. This study aimed to investigate the association between iron status and sarcopenia. A total of 286 adult patients hospitalized between 2019 and 2021 were included in this study, of which 117 were diagnosed with sarcopenia. Serum iron, total iron binding capacity (TIBC), transferrin, and transferrin saturation levels were compared between groups with and without sarcopenia and were included in the logistic analyses, with significant variables further included in the logistic regression model for the prediction of sarcopenia. Serum iron, TIBC, and transferrin levels decreased significantly in the sarcopenia group (p < 0.05), and were negatively associated with handgrip strength, relative skeletal muscle index, and multiple test performances (p < 0.05). Multivariate logistic analysis showed that sex, age, body mass index (BMI), and serum iron level were independent risk factors for sarcopenia. In the final logistic regression model, male sex (odds ratio [OR] 3.65, 95% confidence interval [CI] 1.67-7.98), age > 65 years (OR 5.40, 95% CI 2.25-12.95), BMI < 24 kg/m2 (OR 0.17, 95% CI 0.08-0.36), and serum iron < 10.95 µmol/L (OR 0.39, 95% CI 0.16-0.93) were included. Our study supported the impact of iron metabolism on muscle strength and performance.


Subject(s)
Iron , Sarcopenia , Transferrin , Humans , Sarcopenia/blood , Male , Female , Iron/blood , Aged , Middle Aged , Retrospective Studies , Transferrin/metabolism , Transferrin/analysis , Body Mass Index , Hand Strength , Risk Factors , Muscle, Skeletal/metabolism , Logistic Models , Aged, 80 and over
19.
Sci Rep ; 14(1): 10597, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719924

ABSTRACT

Parotid lumps are a heterogeneous group of mainly benign but also malignant tumors. Preoperative imaging does not allow a differentiation between tumor types. Multispectral optoacoustic tomography (MSOT) may improve the preoperative diagnostics. In this first prospective pilot trial the ability of MSOT to discriminate between the two most frequent benign parotid tumors, pleomorphic adenoma (PA) and Warthin tumor (WT) as well as to normal parotid tissue was explored. Six wavelengths (700, 730, 760, 800, 850, 900 nm) and the parameters deoxygenated (HbR), oxygenated (HbO2), total hemoglobin (HbT), and saturation of hemoglobin (sO2) were analyzed. Ten patients with PA and fourteen with WT were included (12/12 female/male; median age: 51 years). For PA, the mean values for all measured wave lengths as well as for the hemoglobin parameters were different for the tumors compared to the healthy parotid (all p < 0.05). The mean MSOT parameters were all significantly higher (all p < 0.05) in the WT compared to healthy parotid gland except for HbT and sO2. Comparing both tumors directly, the mean values of MSOT parameters were not different between PA and WT (all p > 0.05). Differences were seen for the maximal MSOT parameters. The maximal tumor values for 900 nm, HbR, HbT, and sO2 were lower in PA than in WT (all p < 0.05). This preliminary MSOT parotid tumor imaging study showed clear differences for PA or WT compared to healthy parotid tissue. Some MSOT characteristics of PA and WT were different but needed to be explored in larger studies.


Subject(s)
Parotid Neoplasms , Photoacoustic Techniques , Humans , Female , Parotid Neoplasms/diagnostic imaging , Parotid Neoplasms/pathology , Middle Aged , Male , Pilot Projects , Prospective Studies , Photoacoustic Techniques/methods , Adult , Aged , Hemoglobins/analysis , Hemoglobins/metabolism , Adenolymphoma/diagnostic imaging , Adenolymphoma/pathology , Adenoma, Pleomorphic/diagnostic imaging , Adenoma, Pleomorphic/pathology , Tomography/methods , Parotid Gland/diagnostic imaging , Parotid Gland/pathology
20.
Sci Rep ; 14(1): 10589, 2024 05 08.
Article in English | MEDLINE | ID: mdl-38719926

ABSTRACT

Maturity Onset Diabetes of the Young (MODY) is a young-onset, monogenic form of diabetes without needing insulin treatment. Diagnostic testing is expensive. To aid decisions on who to test, we aimed to develop a MODY probability calculator for paediatric cases at the time of diabetes diagnosis, when the existing "MODY calculator" cannot be used. Firth logistic regression models were developed on data from 3541 paediatric patients from the Swedish 'Better Diabetes Diagnosis' (BDD) population study (n = 46 (1.3%) MODY (HNF1A, HNF4A, GCK)). Model performance was compared to using islet autoantibody testing. HbA1c, parent with diabetes, and absence of polyuria were significant independent predictors of MODY. The model showed excellent discrimination (c-statistic = 0.963) and calibrated well (Brier score = 0.01). MODY probability > 1.3% (ie. above background prevalence) had similar performance to being negative for all 3 antibodies (positive predictive value (PPV) = 10% v 11% respectively i.e. ~ 1 in 10 positive test rate). Probability > 1.3% and negative for 3 islet autoantibodies narrowed down to 4% of the cohort, and detected 96% of MODY cases (PPV = 31%). This MODY calculator for paediatric patients at time of diabetes diagnosis will help target genetic testing to those most likely to benefit, to get the right diagnosis.


Subject(s)
Diabetes Mellitus, Type 2 , Humans , Diabetes Mellitus, Type 2/diagnosis , Diabetes Mellitus, Type 2/genetics , Child , Male , Female , Adolescent , Hepatocyte Nuclear Factor 4/genetics , Hepatocyte Nuclear Factor 1-alpha/genetics , Child, Preschool , Autoantibodies/blood , Autoantibodies/immunology , Glycated Hemoglobin/analysis , Germinal Center Kinases/genetics , Sweden , Glucokinase/genetics
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