Search Results (1,666)

Objective: Population mobility complicates the prevention and control of HIV. To address these challenges, this study explored the molecular epidemiology of HIV among migrant populations in Hangzhou. Methods: People newly diagnosed with HIV/AIDS from 2020 to 2023 were divided into permanent migrant population (PMP), temporary migrant population (TMP), and non-migrant population (NMP). HIV-1 pol gene sequencing was performed to calculate genetic distance. Sample pairs with genetic distances ≤0.005 were used to construct the molecular transmission network. Results: PMP comprised people living with HIV in Hangzhou, characterized by younger age, higher education, and predominantly homosexual transmission. This population forms multiple large molecular clusters together with NMP. TMP accounted for the highest proportion of females and people infected through heterosexual contact, but the education level was the lowest. NMP had the fewest people living with HIV. The main subtypes identified were CRF01_AE, CRF07_BC, CRF08_BC and CRF55_01B. Drug resistance prevalence did not differ significantly among the populations. The molecular transmission network included 833 cases forming 275 clusters, with an overall sample inclusion rate of 23.04%. PMP, TMP and NMP inclusion rates were 27.10%, 19.03% and 21.4%, respectively. All molecular clusters involved migrant populations. Factors associated with inclusion in the network for migrants included current residence, household registration, STD history, sample source, and stage at diagnosis. Conclusions: Migrant populations play a major role in ongoing HIV transmission. Prevention and control measures should be strengthened according to population-specific characteristics. Molecular transmission networks are useful tools for assisting precise control. Full article

Phosphonyl tyrosine is one of the main biomarkers to confirm exposure to highly lethal organophosphorus nerve agents (OPNAs) in vivo. However, a critical challenge remains unresolved: ionization suppression occurs during the analysis of phosphonyl tyrosine by high-resolution mass spectrometry (HRMS) or tandem mass spectrometry (MS/MS), which is induced by the high concentrations of free amino acids present in the digestion solution. In this study, based on the broad-spectrum immunomagnetic beads with high affinity antibodies, a non-targeted early warning and verification strategy was developed. Compared with the recommended operating procedures for analysis in the verification of chemical disarmament, the total analysis time was reduced from several hours to about 30 min. Moreover, the detection sensitivity was increased by nearly one order of magnitude, and the detection limit (LOD) was 0.01 ng/mL. Furthermore, the screening strategy can cover all OPNAs listed as 1A.01, 1A.02 and 1A.03 in Schedule 1 of the CWC. Therefore, we have developed a rapid, sensitive, and broad-spectrum approach to accurately screen for OPNAs exposure, while also offering a novel strategy and technical support for chemical defense and occupational health assessment. Full article

Objective: To explore healthcare professionals’ beliefs and concerns about doxyPEP by systematically reviewing the literature. Method: A systematic review of three bibliographical databases (CINAHL, EMBASE and MEDLINE) and MedRxiv in August 2024, updated in February 2026 explored healthcare professionals’ beliefs and concerns about doxyPEP. Three researchers independently reviewed full-text manuscripts for eligibility and narratively synthesized data. We used the Joanna Briggs Institute toolkit to assess risk of bias. This review was registered on PROSPERO (ID:CRD42024570646). Results: Eight manuscripts were included in the final review: five cross-sectional studies, two qualitative studies, and one mixed method study from the USA (n = 5), Australia (n = 1), Kenya (n = 1), and the UK (n = 1) published between 2020–2025 and including 1840 healthcare professionals. Healthcare professionals recognised the high burden of bacterial STIs and believed that doxyPEP should be made available to MSM. There was a strong willingness to provide doxyPEP to MSM with the support of national guidelines. Healthcare professionals suggest that implementing doxyPEP would be feasible with educational support, but were concerned about antimicrobial resistance, drug–drug interactions, pill burden, cost, implementation logistics and the effect on clinical service demands. They acknowledged the lack of research and access to doxyPEP for other groups, specifically trans people and cis-gendered women. They also highlighted the need for community involvement in the implementation of doxyPEP. Conclusions: This review highlights that healthcare professionals were willing and ready to provide doxyPEP; however, they have concerns including antimicrobial resistance, the effect on service capacity, and the lack of research on cis-gendered women and trans people. Patients and health professionals need to be involved in the implementation of doxyPEP. Full article

In this study, sixteen secondary metabolites, including two chromones, four dibenzofurans, three lipids, three depsides, two aromatic compounds, a quinone, and a terpene, were detected in the methanol:acetone (1:1 v/v) extract of the lichen Hypotrachyna enderythraea (Zahlbr.) Hale, using High-Performance Liquid Chromatography coupled to Orbitrap Electrospray Ionization tandem Mass Spectrometry (HPLC-Orbitrap ESI tandem MS/MS). These metabolites were characterized by analysis of their exact molecular masses and corresponding fragmentation patterns. The retention times of the identified metabolites were compared with those of standard compounds, confirming the presence of naturally occurring bioactive compounds. Density Functional Theory (DFT) calculations were employed to investigate preferential deprotonation sites in representative polyprotic metabolites. All these findings may contribute to expanding the spectrum of compounds identified within the genus Hypotrachyna and to evaluating their potential biological activities. Full article

This study integrates recent literature with qualitative data from sexual-health outreach workers in the Greater Toronto Area to examine how outreach is delivered to gay, bisexual, transgender, and queer (GBTQ+) men who have sex with men (MSM) in virtual social settings, including social networking applications. Using a symbolic-interactionist framework and reflexive thematic analysis, the study identifies persistent challenges that shape GBTQ+ and MSM users’ engagement with sexual-health services, such as stigma, privacy concerns, and platform-level constraints. Findings highlight mismatches between current outreach practices and community needs in app-based environments and point to opportunities to strengthen the relevance, accessibility, and trustworthiness of digital sexual-health initiatives. The analysis offers practical recommendations for improving service design and delivery in online queer spaces and outlines priorities for future research focused on outreach effectiveness, equity, and user safety. Full article

Background/Objectives: Natural medicine analysis remains challenging due to chemical diversity. To the best of our knowledge, the comprehensive identification of multiple chemical constituents in Xiaoban Kangfu (XBKF) capsules has not been reported. Therefore, a combined approach utilizing ultra-high-performance liquid chromatography quadrupole-Exactive Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap MS) and molecular network analysis needs to be developed to comprehensively characterize the chemical constituents of XBK capsules in heat-clearing and toxin-eliminating granules, thereby enhancing annotation accuracy and enabling visualization. Methods: Firstly, chromatographic and mass spectrometry conditions were optimized to achieve good separation and a rich signal response. Subsequently, the literature searches, database consultations, and reference standards were employed to enhance annotation reliability. Finally, the raw data acquired under optimized conditions were uploaded to Global Natural Products Social (GNPSs), enabling component visualization by linking precursor ions of similar structural features with identical colors. Results: A total of 170 compounds were identified from this medicinal resource for the first time, including 50 flavonoids, 34 phenolic acids, 16 terpenoids, 14 quinones, 14 organic acids, eight coumarins, ive carbohydrates, and 29 other compounds. Conclusions: This study establishes a robust UHPLC-Q-Exactive Orbitrap MS/MS strategy for the comprehensive chemical profiling of XBKF capsules. The use of the presented validated analytical method for the comprehensive quality control of XBKF capsules is highly promising, offering fast, highly sensitive, and reliable analysis. Full article

To date, the phytochemical composition of the aerial parts of Nanophyton iliense U.P. Pratov has not been comprehensively investigated. In the present study, qualitative metabolite profiling of the methanolic extract of the aerial parts was performed using liquid chromatography coupled with diode-array detection and quadrupole time-of-flight mass spectrometry (LC-DAD-QToF-MS) operating in both positive and negative electrospray ionization modes. A total of 81 metabolites were tentatively identified based on accurate mass measurements, MS/MS fragmentation patterns obtained in all-ion MS/MS mode, and comparison with previously reported literature data. The detected compounds included hydroxycinnamic acid amides, phenolic acids, flavonoids (including glycosides), amino acids, organic acids, sulfated derivatives, and nucleosides. Among them, the flavonoid narcissin (isorhamnetin-3-O-rutinoside) was isolated from the extract, and its structure was confirmed by ¹H and ¹³C NMR spectroscopy supported by COSY, HSQC, and HMBC experiments. Additionally, a compound with the molecular formula C₁₇H₁₄O₅ was detected; however, its structure could not be conclusively established based on the available spectroscopic data and is therefore reported as an unidentified metabolite. The present study provides the first systematic qualitative characterization of the metabolite profile of N. iliense and establishes a foundation for future quantitative and bioactivity-oriented investigations of this species. Full article

Addressing the challenge that traditional flowability criteria cannot accurately characterize the grouting filling efficacy of foam concrete (FC) for cracks and voids in the base layer of asphalt pavement, this paper established a flowability evaluation method tailored for road grouting. Firstly, FC with varying flow performances were prepared by controlling the water–cement (W/C) ratio and water-reducing agent (WRA) dosage. Secondly, the flow cone method and micro-slump meter on a smooth flow degree pan method (MSM) characterized their flow performances. The porous Marshall specimens were constructed to simulate the crack–void structure of the base layer, and grouting plumpness was calculated using sectional image processing methods. Building upon this, gray relational analysis and regression analysis were employed to establish quantitative relationships between multiple factors and grouting plumpness. The results show that increasing W/C ratio and WRA dosage could improve the flow performance of FC, but reduce the compressive strength. Specifically, when the W/C ratio increased from 0.40 to 0.45, flow time decreased by 72.2% and flow diameter increased by 25%. Increasing WRA dosage from 0.3% to 0.5% could reduce flow time by 16% and increase flow diameter by 10%. Gray relational analysis revealed the strong correlations between flow indexes and grouting plumpness. The gray relational degree was 0.87 between grouting plumpness and flow diameter. In addition, the gray correlation between grouting plumpness and flow time was 0.65. Therefore, flow diameter should be first selected to measure the flow performance of FC. Furthermore, it was found that flow diameter should be higher than 230 mm to ensure that the average grouting plumpness of FC was above 80%. The results of this study provide a reliable basis for evaluating the flow performance of FC for filling cracks in the base layer of asphalt pavement. Full article

In 2023, the Russian Federation expanded its national newborn screening (NBS) program from 5 to 36 conditions, 29 of which are inherited metabolic diseases (IMDs). This study presents the first nationwide results and outcomes of the expanded NBS program. Between January 2023 and December 2024, dried blood spots from 2,466,615 newborns (98.53% of the birth cohort) were analyzed for IMDs using MS/MS. Screen-positive cases were referred to the national reference center for confirmatory testing, which included biochemical (MS/MS and GC-MS) and genetic analyses (NGS). A total of 41,728 neonates (1.69%) screened positive, of whom 37,733 underwent confirmatory testing. It resulted in 834 confirmed diagnoses of IMDs (1 in 2900 live births). Phenylketonuria was the most prevalent IMD (n = 538; 1 in 4600), followed by MCADD (n = 99; 1 in 25,000). Distinct regional and ethnic variations were observed, including a high prevalence of tyrosinemia type 1 in the Chechen Republic and MCADD in North Ossetia. The integration of NGS was essential for resolving complex cases, such as identifying heterozygous carriers and dual diagnoses. These findings underscore the program’s clinical utility, highlight unique epidemiological patterns, and identify challenges such as false positives and diagnostic complexities, which will guide future refinements. Full article

Uropathogenic Escherichia coli (UPEC) that form biofilms exhibit high-level antibiotic resistance, which poses substantial challenges to current therapeutic strategies for urinary tract infection (UTI). There is an urgent need for strategies specifically targeting UPEC biofilms. This study investigated the effects of the n-butanol extract of Polygonum capitatum (BPC) on UPEC strains, focusing on its antibacterial activity, biofilm formation, bacterial motility, adhesion capacity, and cell membrane integrity. The disk diffusion method, minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC) assays demonstrated that BPC exhibited potent antibacterial activity against both reference and clinically isolated UPEC strains. Time–kill curve assays further confirmed that BPC inhibits bacterial growth in a time-dependent manner. BPC inhibited UPEC biofilm formation in a dose-dependent manner, significantly reducing biofilm formation in both reference and clinical UPEC strains. Furthermore, BPC disrupted cell membrane integrity in UPEC strain CFT073, resulting in the leakage of alkaline phosphatase (AKP), β-galactosidase, and intracellular proteins. BPC treatment also significantly reduced bacterial surface hydrophobicity, impaired swimming and swarming motility, and diminished adhesion and invasion capabilities. A total of 32 active compounds, predominantly flavonoids, were identified in BPC by UHPLC-Q-orbitrap MS/MS. Molecular docking studies revealed that several compounds in BPC, such as quercetin-3,4′-O-di-beta-glucoside, exhibited strong binding affinity to AKP and β-galactosidase, further supporting its potential to disrupt membrane integrity and inhibit biofilm formation. Thus, BPC exerts anti-UPEC effects through biofilm disruption and multi-targeted anti-virulence mechanisms, highlighting its potential as a novel therapeutic or adjunctive agent for UTI, particularly against recalcitrant biofilm-associated infections. The mode of action of BPC provides a scientific basis for developing new anti-infective strategies as alternatives to conventional antibiotics. Full article

Mass spectrometry-based analysis of post-translational modifications (PTMs) is a key strategy for characterizing protein regulation and identifying disease-associated targets, with endogenous PTMs serving as biomarkers for disease diagnosis and therapeutic response. More recently, chemical proteomic strategies have adapted PTM-focused workflows to measure engagement of covalent and photoactivatable small-molecule probes, expanding the scope of ligand discovery for these disease-associated targets. This review provides an overview of mass spectrometry-based PTM analysis workflows, including LC–MS/MS acquisition and post-acquisition data processing, with an emphasis on how modification-specific physicochemical properties influence PTM detection and identification. Common analytical challenges that limit PTM identification, including variable MS/MS fragmentation behavior and modification site localization, are discussed using modifications such as phosphorylation and photoaffinity labeling probe adducts as representative examples. Recent advances in acquisition strategies and computational tools that improve spectral quality and confidence in PTM assignment are also summarized. Additionally, approaches for the analytical validation of modification events, such as metabolic labeling strategies, are described. Together, this review outlines key considerations, capabilities, and limitations of MS-based PTM profiling and provides a framework for interpreting PTM datasets to support their effective integration into downstream biochemical and disease target validation studies. Full article

Background: Dendroctonus armandi, an oligophagous beetle primarily infesting Pinus armandii, is geographically restricted and persistent in central China, causing significant ecological and economic losses. However, the intrinsic factors driving its continuous occurrence remain unclear. We examined the genetic variation patterns across the species’ range to explore its phylogeographic structure. Methods: We analyzed mitochondrial DNA sequence (mtDNA) data to assess population genetic structure and estimate the divergence times of distinct lineages. Results: Phylogenetic analysis identified four haplogroups corresponding to the Minshan (MSM), Qinling (QLM), Micang (MCM), and Ta-pa (TPM) Mountains. Demographic analyses revealed that QLM and TPM haplogroups have undergone population expansion events. Divergence time estimates indicated four lineages diverged during the Late Pleistocene. Notably, D. armandi may have followed two horizontal and one vertical independent colonization routes. The first route extended from MSM into QLM and then spread eastward along the QLM; the second route progressed from MSM into MCM and continued eastward into TPM; and the third route migrated southward from QLM into TPM. Conclusions: Climate oscillations, geographical isolation, and the patchy distribution of host trees collectively shaped the phylogeographic patterns of D. armandi. These findings elucidate the evolution and adaptability of D. armandi in mountainous environments. Full article

In order to improve the detection capability of low-slow-small UAV targets in complex backgrounds, this paper introduces a novel method that combines spatio-temporal information, which includes (1) an improved YOLO detector for small UAV detection, (2) a motion target detection module, and (3) an integrated combination strategy for static and dynamic judgment. We firstly provided an improved YOLOv11 static detection method by combining SPD Conv, BiFPN and a detect header for high-resolution layers, and then designed a dynamic target-detection algorithm which helps the YOLO method capture minor movement features, finally introducing a fusing strategy of static detection and dynamic judgment. The experimental results on small UAV datasets, including various sky, mountain and building backgrounds, have shown that the proposed approach increases Precision, Recall, and mAP50 by 12.1%, 29.5%, and 29.6%, respectively, compared with the baseline YOLO11 detector. The proposed MSM-YOLO achieves Precision, Recall, and mAP50 of 94%, 92%, and 86.3%, enabling the effective detection of small UAV targets in complex scenarios. Moreover, the ablation experiments also proved the effectiveness of each module. The proposed method was further deployed in a redesigned RK3588 embedded system, achieving 100 fps after optimized process, and it has shown effectiveness and practicality in further air-to-air UAV detection applications. Full article

High-resolution mass spectrometry (HRMS) enables non-targeted detection of drugs and metabolites in complex matrices. Phase II metabolites—especially glucuronides—are often the only detectable biomarkers in late or postmortem samples but are underrepresented in commercial libraries. This work pursued the prediction of phase II-glucuronide conjugates in diluted urine samples by non-targeted/targeted LC-HRMS workflows. A simply “dilute-and-shoot” qualitative UHPLC-HRMS/MS method (Q Exactive HF, ddMS²) was integrated with Compound Discoverer^® software for data processing. The workflow incorporated predictive strategies such as exact mass suspect lists, Structured Query Language (SQL)-based filters, compound-class and diagnostic neutral-loss rules (including the characteristic loss of 176.0321 Da for glucuronides) and MS/MS confirmation using both in-house and public spectral libraries. An additional part of the application’s performance assessment involved its validation for diluted urine sample. A qualitative validated method for more than two hundred drugs in urine samples was performed, including the method’s selectivity/specificity, limit of identification, matrix effects, and potential carryover. Most analytes fulfilled the qualitative acceptance criteria, with more than 60% successfully identified at a concentration of at least 2.5 ng/mL. Matrix effects were within acceptable limits for most compounds, and no severe ion suppression was observed. A non-targeted workflow was applied to real forensic samples (n = 16), allowing a reduction of approximately 66,800 detected features to 225 glucuronide candidates, while a targeted workflow based on exact mass lists yielded 31 high-confidence identifications. Characteristic neutral losses and diagnostic fragment ions led to the tentative identification of some glucuronide phase II metabolites such as mirtazapine–glucuronide, morphine-6–glucuronide, and glucuronide conjugates of benzodiazepines and synthetic opioids. In conclusion, the integration of biotransformation knowledge with HRMS-based predictive filtering allows for the efficient and hydrolysis-free detection of glucuronide metabolites, thereby extending detection windows and enhancing toxicological interpretation in complex forensic scenarios. This adaptable and library-independent workflow also facilitates retrospective data mining, making it suitable for the identification of emerging substances and newly characterized metabolites. Full article

Background: The surveillance of antimicrobial-resistant (AMR) gonorrhea in the United States is conducted under the Gonococcal Isolate Surveillance Project (GISP). Its protocol involves the collection of urethral isolates from the symptomatic men diagnosed with urethral gonorrhea at designated surveillance sites and the estimation of the percentage of cases resistant to current and former gonorrhea antibiotics. A switch to a new antibiotic is typically made when this percentage for a current first-line drug reaches 5%. However, the cost-effectiveness of this surveillance strategy has never been assessed. Methods: We utilized our previously developed agent-based model of gonorrhea transmission among the US men who have sex with men (MSM) population and estimated the total number of gonorrhea cases, total number of discounted quality-adjusted life years (QALYs) and total discounted costs over 25 years under the current surveillance strategy and under a scenario with no surveillance. Results: The maintenance of the current surveillance strategy is projected to avert 104,108 (95% uncertainty interval: 9163, 213,238) gonorrhea cases, gain 192.9 (95% uncertainty interval: 6, 458.3) QALYs and save $38.6 million (95% uncertainty interval: $1 million, $68.2 million) in the simulated cohort of 10,000 US MSM over a 25-year period (2023–2048) when compared to a scenario with no surveillance. Conclusions: The current US surveillance strategy for AMR gonorrhea is cost-saving. However, the low-bound estimate indicates limited savings of $1 million, which is relatively modest at a national scale. Full article