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OBJECTIVES: To evaluate a co-designed intervention using digital resources "Vietnam Cancer Caring Coping" (V-CCC) on the health literacy, depression, and quality of life of caregivers supporting a cancer patient in oncology hospitals in Vietnam. METHODS: A pre-post quantitative evaluation with adult cancer caregivers across regional Oncology hospitals in Vietnam (Ho Chi Minh City, Da Nang, Can Tho, and Hue). Participants completed baseline and follow-up measures of health literacy (HLS-SF12) depression (PHQ-9) and Health-related Quality of Life (5Q-5D-5L). Participants accessed and reviewed V-CCC for a 2-week period. RESULTS: Two hundred and thirty-four caregivers completed pre and post-tests. Most participants were female (n = 143, 61%), married (n = 165, 70%), aged 18-44 (n = 155, 66%), lived rurally (n = 157, 67%). All health literacy scores of participants in post-intervention were significantly higher than that in pre-intervention across all domain's healthcare, disease prevention, and health promotion as well as the total score (p < 0.001). A significant reduction in the proportion of caregivers reporting PHQ-9 moderately severe/severe depression post-intervention was demonstrated (10.2 vs. 6.1%, respectively (p ≤ 0.001). No significant differences were observed pre and post-intervention across four 5Q-5D-5L health dimensions: mobility, self-care, usual activities, and pain/discomfort. Regarding anxiety/depression as measured by 5Q-5D-5L the proportion of participants who reported having moderate, severe, and extreme problems in pre- and post-intervention was statistically significant (32 vs. 24%), respectively (p = 0.0028). CONCLUSION: Co-designed digital resources can reduce health literacy inequities and improve psychological outcomes for cancer caregivers.
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OBJECTIVE: Hip migration percentage (MP) measured on anteroposterior pelvis radiographs is the gold standard to assess the severity of hip displacement in children with cerebral palsy (CP). Repeated exposure of these children to ionizing radiation under a hip surveillance program is undesirable. Recently, a semi-automatic approach to measure MPUS on ultrasound (US) images was validated in a phantom study. This pilot in vivo study applied the previous phantom method and aimed to determine the reliability and accuracy of the MPUS. METHODS: Thirty-four children (23 boys and 11 girls) aged 8.9 ± 3.1 y old and diagnosed with CP were recruited. A total of 59 hips were scanned once, while 43 of these were scanned twice to evaluate the test-retest reliability. Two raters (R1 and R2) manually measured MPUS; procedures included selecting images of interest, cropping a region of interest and removing soft tissues on hip US images. Custom software was developed to measure MP automatically after the manual pre-image processing. RESULTS: The intra-class correlation coefficients (ICC2,1) for the test-retest (R1), intra-rater (R1) and inter-rater (R1 vs R2) reliabilities were 0.90, 0.94 and 0.82, respectively. The standard error of measurement of MPUS for all three evaluations was ≤3.0%. The mean absolute difference between MPUS and MPX-ray and the percentage of MPUS within clinical acceptance error of 10% for R1 and R2 were (R1: 6.2% ± 4.9%, 84.7%) and (R2: 7.6% ± 6.1%, 73.7%), respectively. CONCLUSION: This study demonstrated that US scans were repeatable and MPUS could be measured reliably and accurately.
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Lignocellulosic biomass has a promising role in a circular bioeconomy and may be used to produce valuable molecules for green chemistry. Lignocellulosic biomass, such as food waste, agricultural waste, wood, paper or cardboard, corresponded to 15.7% of all waste produced in Europe in 2020, and has a high potential as a secondary raw material for industrial processes. This review first presents industrial lignocellulosic waste sources, in terms of their composition, quantities and types of lignocellulosic residues. Secondly, the possible high added-value chemicals obtained from transformation of lignocellulosic waste are detailed, as well as their potential for applications in the food industry, biomedical, energy or chemistry sectors, including as sources of polyphenols, enzymes, bioplastic precursors or biofuels. In a third part, various available transformation treatments, such as physical treatments with ultrasound or heat, chemical treatments with acids or bases, and biological treatments with enzymes or microorganisms, are presented. The last part discusses the perspectives of the use of lignocellulosic waste and the fact that decreasing the cost of transformation is one of the major issues for improving the use of lignocellulosic biomass in a circular economy and green chemistry approach, since it is currently often more expensive than petroleum-based counterparts.
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Recently, deep-red-emitting phosphors that can be excited by ultraviolet (UV) and near-ultraviolet (NUV) light have been extensively investigated for plant growth LED applications. However, due to the harmful effects of these high-energy rays on plants, violet- or blue-excited deep-red-emitting phosphors are considered a more appropriate solution. In this work, SrAl12O19:Cr3+ phosphors were synthesized using a simple solid-state reaction, revealing a strikingly sharp deep-red emission band centered at 694 nm and effective excitation by violet light. The optimal SrAl12O19:1.0%Cr3+ phosphor, annealed at 1500°C, exhibits an extended lifetime of 0.549 ms, an energy activation level of 0.239 eV, a good quantum efficiency (QE) of 36.2%, and superior color purity at 100%. Further, an LED prototype with a precise absorption spectrum for far-red phytochrome (Pfr) has been demonstrated. These results indicate that the synthesized SrAl12O19:1.0%Cr3+ phosphors could be used as a promising deep-red-emitting phosphor for plant growth LED.
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Cromo , Cromo/química , Desenvolvimento Vegetal , Substâncias Luminescentes/química , Substâncias Luminescentes/síntese química , Estrôncio/químicaRESUMO
MFe2O4 (M = Co, Fe, Mn) nanoparticles were successfully formed through the chemical co-precipitation technique. X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray analysis were used to investigate samples' structural properties. The investigated structural properties included phases formed, crystallite size, cation distribution, hopping length, bond length, bond angle, edge length, and shared and unshared octahedral edge length. Scanning electron micrographs of the prepared samples demonstrated well-defined crystalline nanoparticles. The grain diameter was 15, 9, and 34 nm for CoFe2O4, Fe3O4, and MnFe2O4, respectively. The energy-dispersive X-ray analysis confirmed the existence of every element (Co, Fe, and O) and no discernible impurities in the samples. The optical properties were studied in detail through photoluminescence (PL) spectroscopy and Raman spectroscopy. The presence of active modes in Raman spectra confirmed the spinel structure of the MFe2O4 nanoparticles. The direct bandgap energy estimated through UV-visible spectroscopy was about 2.59-2.64 eV, corresponding with the energy-band structures of the octahedral site (1.70 eV) and the tetrahedral site (0.9 eV). This result was further confirmed by PL emission spectra. Based on Mie theory and UV-visible and PL spectral data, the mechanism of photothermal characterization for MFe2O4 nanoparticles was determined. Investigating the changes in temperature of magnetic parameters including coercivity, squareness ratio, and saturation magnetization for MFe2O4 samples showed the dominant influence of ion distribution and A-A, A-B, and B-B exchange interactions. This study also showed that strong anisotropy and weak dipolar interaction tended to increase the coercivity and squareness ratio of CoFe2O4. Conversely, weaker anisotropy and stronger dipolar interaction corresponded with the small coercivity and squareness ratio of Fe3O4 and MnFe2O4 samples.
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Arboviruses transmitted by mosquitoes, including Japanese encephalitis virus (JEV), present a substantial global health threat. JEV is transmitted by mosquitoes in the genus Culex, which are common in both urban and rural areas in Vietnam. In 2020, we conducted a 1-year survey of Culex mosquito abundance in urban, suburban, and peri-urban areas of Hanoi using CDC-light traps. Mosquitoes were identified to species and sorted into pools based on species, sex, and trap location. The mosquito pools were also investigated by RT-qPCR for detection of JEV. In total, 4829 mosquitoes were collected over a total of 455 trap-nights, across 13 months. Collected mosquitoes included Culex, Aedes, Anopheles, and Mansonia species. Culex mosquitoes, primarily Cx. quinquefasciatus, predominated, especially in peri-urban areas. Most Culex mosquitoes were caught in the early months of the year. The distribution and abundance of mosquitoes exhibited variations across urban, suburban, and peri-urban sites, emphasizing the influence of environmental factors such as degree of urbanization, temperature and humidity on Culex abundance. No JEV was detected in the mosquito pools. This study establishes baseline knowledge of Culex abundance and temporal variation, which is crucial for understanding the potential for JEV transmission in Hanoi.
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Culex , Mosquitos Vetores , Animais , Vietnã , Culex/virologia , Mosquitos Vetores/virologia , Mosquitos Vetores/fisiologia , Feminino , Análise Espaço-Temporal , Masculino , Vírus da Encefalite Japonesa (Espécie)/isolamento & purificação , Vírus da Encefalite Japonesa (Espécie)/genética , Estações do AnoRESUMO
The adsorption of organic compounds onto metal surfaces holds significant importance across various applications, where understanding the intricate interactions between the compounds and the metal surfaces is indispensable. By using density functional theory calculations, this study investigated the impact of functional groups on the interaction between the thione form of 2-mercaptobenzothiazole (MBT) and the Cu(111) surface. The results indicated that substituting functional groups at the C6 position exerts a dual influence on the covalent and non-covalent interactions (NCI). Electron-donating groups enhanced both covalent and non-covalent interactions, whereas electron-withdrawing groups decreased covalent while increasing non-covalent interactions. The covalent interaction between MBTs and Cu(111) is mainly governed by the electron donation from the occupied orbitals of the molecules to the conduction band of copper, with the absolute interaction energies (eV) increasing in the order of MBT-NO2 (0.629) < MBT-COOH (0.660) < MBT-Cl (0.699) < MBT (0.715) < MBT-SH (0.727) < MBT-OH (0.733) < MBT-CH3 (0.735) < MBT-OCH3 (0.749) < MBT-NH2 (0.781) < MBT-NHCH3 (0.792). The influence of functional groups on covalent interactions is clarified by examining changes in the molecule's electronic structure, revealing a linear relationship between covalent interaction energy and HOMO energy, or the Hammett substituent constant. However, the impact of functional groups on non-covalent interactions is more complex and cannot be described by changes in the electronic structure. A novel parameter, the substitution interaction energy, was proposed to capture the effect of functional groups on the NCI-included adsorption energy of MBT derivatives on the Cu(111) surface. The stronger the substitution interaction, the stronger the NCI-included interaction of MBTs on Cu(111). The absolute NCI-included interaction energies follow the order of MBT (2.141) < MBT-Cl (2.213) < MBT-COOH (2.266) < MBT-CH3 (2.294) < MBT-OH (2.331) < MBT-OCH3 (2.379) < MBT-NO2 (2.461) = MBT-NH2 (2.461) < MBT-SH (2.530) < MBT-NHCH3 (2.565). These insights offer valuable guidance for manipulating the adsorption of organic substances on metal surfaces through functional groups in diverse applications.
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Salmonella Paratyphi A, one of the major etiologic agents of enteric fever, has increased in prevalence in recent decades in certain endemic regions in comparison to S. Typhi, the most prevalent cause of enteric fever. Despite this increase, data on the prevalence and molecular epidemiology of S. Paratyphi A remain generally scarce. Here, we analysed the whole genome sequences of 216 S. Paratyphi A isolates originating from Kathmandu, Nepal between 2005 and 2014, of which 200 were from patients with acute enteric fever and 16 from the gallbladder of people with suspected chronic carriage. By exploiting the recently developed genotyping framework for S. Paratyphi A (Paratype), we identified several genotypes circulating in Kathmandu. Notably, we observed an unusual clonal expansion of genotype 2.4.3 over a four-year period that spread geographically and systematically replaced other genotypes. This rapid genotype replacement is hypothesised to have been driven by both reduced susceptibility to fluoroquinolones and genetic changes to virulence factors, such as functional and structural genes encoding the type 3 secretion systems. Finally, we show that person-to-person is likely the most common mode of transmission and chronic carriers seem to play a limited role in maintaining disease circulation.
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Genótipo , Febre Paratifoide , Salmonella paratyphi A , Nepal/epidemiologia , Humanos , Salmonella paratyphi A/genética , Salmonella paratyphi A/isolamento & purificação , Salmonella paratyphi A/classificação , Estudos Retrospectivos , Febre Paratifoide/epidemiologia , Febre Paratifoide/microbiologia , Masculino , Adulto , Feminino , Adulto Jovem , Adolescente , Criança , Prevalência , Pessoa de Meia-Idade , Epidemiologia Molecular , Pré-Escolar , Sequenciamento Completo do Genoma , Antibacterianos/farmacologia , FilogeniaRESUMO
Antimicrobial resistance (AMR) poses a serious threat to the clinical management of typhoid fever. AMR in Salmonella Typhi (S. Typhi) is commonly associated with the H58 lineage, a lineage that arose comparatively recently before becoming globally disseminated. To better understand when and how H58 emerged and became dominant, we performed detailed phylogenetic analyses on contemporary genome sequences from S. Typhi isolated in the period spanning the emergence. Our dataset, which contains the earliest described H58 S. Typhi organism, indicates that ancestral H58 organisms were already multi-drug resistant (MDR). These organisms emerged spontaneously in India in 1987 and became radially distributed throughout South Asia and then globally in the ensuing years. These early organisms were associated with a single long branch, possessing mutations associated with increased bile tolerance, suggesting that the first H58 organism was generated during chronic carriage. The subsequent use of fluoroquinolones led to several independent mutations in gyrA. The ability of H58 to acquire and maintain AMR genes continues to pose a threat, as extensively drug-resistant (XDR; MDR plus resistance to ciprofloxacin and third generation cephalosporins) variants, have emerged recently in this lineage. Understanding where and how H58 S. Typhi originated and became successful is key to understand how AMR drives successful lineages of bacterial pathogens. Additionally, these data can inform optimal targeting of typhoid conjugate vaccines (TCVs) for reducing the potential for emergence and the impact of new drug-resistant variants. Emphasis should also be placed upon the prospective identification and treatment of chronic carriers to prevent the emergence of new drug resistant variants with the ability to spread efficiently.
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Antibacterianos , Filogenia , Salmonella typhi , Febre Tifoide , Salmonella typhi/genética , Salmonella typhi/efeitos dos fármacos , Febre Tifoide/microbiologia , Febre Tifoide/tratamento farmacológico , Febre Tifoide/epidemiologia , Humanos , Antibacterianos/farmacologia , Farmacorresistência Bacteriana Múltipla/genética , Haplótipos , Mutação , Genoma BacterianoRESUMO
Machine learning (ML) methods are proliferating in scientific research. However, the adoption of these methods has been accompanied by failures of validity, reproducibility, and generalizability. These failures can hinder scientific progress, lead to false consensus around invalid claims, and undermine the credibility of ML-based science. ML methods are often applied and fail in similar ways across disciplines. Motivated by this observation, our goal is to provide clear recommendations for conducting and reporting ML-based science. Drawing from an extensive review of past literature, we present the REFORMS checklist (recommendations for machine-learning-based science). It consists of 32 questions and a paired set of guidelines. REFORMS was developed on the basis of a consensus of 19 researchers across computer science, data science, mathematics, social sciences, and biomedical sciences. REFORMS can serve as a resource for researchers when designing and implementing a study, for referees when reviewing papers, and for journals when enforcing standards for transparency and reproducibility.
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Consenso , Aprendizado de Máquina , Humanos , Reprodutibilidade dos Testes , CiênciaRESUMO
HIV-1 (human immunodeficiency virus-1) has been causing severe pandemics by attacking the immune system of its host. Left untreated, it can lead to AIDS (acquired immunodeficiency syndrome), where death is inevitable due to opportunistic diseases. Therefore, discovering new antiviral drugs against HIV-1 is crucial. This study aimed to explore a novel machine learning approach to classify compounds that inhibit HIV-1 integrase and screen the dataset of repurposing compounds. The present study had two main stages: selecting the best type of fingerprint or molecular descriptor using the Wilcoxon signed-rank test and building a computational model based on machine learning. In the first stage, we calculated 16 different types of fingerprint or molecular descriptors from the dataset and used each of them as input features for 10 machine-learning models, which were evaluated through cross-validation. Then, a meta-analysis was performed with the Wilcoxon signed-rank test to select the optimal fingerprint or molecular descriptor types. In the second stage, we constructed a model based on the optimal fingerprint or molecular descriptor type. This data followed the machine learning procedure, including data preprocessing, outlier handling, normalization, feature selection, model selection, external validation, and model optimization. In the end, an XGBoost model and RDK7 fingerprint were identified as the most suitable. The model achieved promising results, with an average precision of 0.928 ± 0.027 and an F1-score of 0.848 ± 0.041 in cross-validation. The model achieved an average precision of 0.921 and an F1-score of 0.889 in external validation. Molecular docking was performed and validated by redocking for docking power and retrospective control for screening power, with the AUC metrics being 0.876 and the threshold being identified at -9.71 kcal mol-1. Finally, 44 compounds from DrugBank repurposing data were selected from the QSAR model, then three candidates were identified as potential compounds from molecular docking, and PSI-697 was detected as the most promising molecule, with in vitro experiment being not performed (docking score: -17.14 kcal mol-1, HIV integrase inhibitory probability: 69.81%).
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Introduction: To explore the feasibility and safety of retroperitoneal laparoscopic partial nephrectomy (RLPN) with selective artery clamp (SAC) in patients with renal cell carcinoma (RCC). Methods: The authors recruited three men and two women who underwent RLPN for T1 RCC between December 2022 and May 2023 at a tertiary hospital. The median age of the patients was 32 years (range, 25-70 years). The tumour size ranged from 3 to 4.5 cm. The R.E.N.A.L scores were 4x, 5p, 8a, 5a, and 8ah. The median preoperative eGFR was 96.9 (74.3-105.2). Renal computed tomography angiography was performed before the surgery to evaluate the artery branches. The operation time, number of clamped arteries, warm ischaemic time (WIT), intraoperative blood loss, RCC type, postoperative hospital stay, changes in renal function, and complications were evaluated. The follow-up duration was 6 months. Results: The median operation time was 120 (75-150) minutes. One artery was clamped in four patients, while three were clamped in one patient. The median WIT was 22 (15-30) min, and the median blood loss was 150 (100-300) ml. No complications were recorded, and the resection margin was negative in all patients. The median decrease in eGFR was 6 (4-30%). Conclusions: RLPN with SAC for T1 RCC is safe and feasible in clinical practice.
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The absorption of electromagnetic waves in a broadband frequency range with polarization insensitivity and incidence-angle independence is greatly needed in modern technology applications. Many structures based on metamaterials have been suggested for addressing these requirements; these structures were complex multilayer structures or used special materials or external electric components, such as resistive ones. In this paper, we present a metasurface structure that was fabricated simply by employing the standard printed-circuit-board technique but provides a high absorption above 90% in a broadband frequency range from 12.35 to 14.65 GHz. The metasurface consisted of structural unit cells of 4 symmetric substructures assembled with a metallic bar pattern, which induced broadband absorption by using a planar resistive interaction in the pattern without a real resistive component. The analysis, simulation, and measurement results showed that the metasurface was also polarization insensitive and still maintained an absorption above 90% at incident angles up to 45°. The suggested metasurface plays a role in the fundamental design and can also be used to design absorbers at different frequency ranges. Furthermore, further enhancement of the absorption performance is achieved by improved design and fabrication.
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Anthrax, a widespread zoonosis in low and middle-income countries with low disease awareness and insufficient livestock vaccination coverage, has been known in Lao Cai Province in northern Vietnam for years before its apparent absence in 2009, which requires investigation as this infection is frequently reported from neighbouring provinces and countries. We aimed to describe the seasonal patterns of anthrax (1991-2008), compare livestock anthrax vaccine coverage to disease occurrence (1991- 2022), and delineate the high-risk areas to inform local disease surveillance in the province. We illustrated the seasonal pattern of anthrax and provided a comparison between livestock vaccine coverage and disease occurrence by purely spatial SaTScan (Poisson model, 25% population at risk) to detect spatial clusters of human and livestock anthrax using population derived from zonal statistics routines. The number of cases, crude cumulative incidence, and spatial clusters of human and livestock anthrax were mapped in QGIS. Results indicate peak anthrax incidence from May to October. Buffalo, domestic cattle, and horses accounted for 75% of total animal cases. Horse anthrax was more common in Lao Cai than in its neighbours and often occurred in years with human mortality. Vaccination covered less than 30% of the livestock population. We found an apparent pattern where anthrax was controlled from 1998-2003 with higher vaccine coverage (>20%) and identified spatial clusters of human and livestock anthrax in Muong Khuong, Bao Thang, and Bac Ha districts of Lao Cai. The local public health and veterinary agencies are recommended to revisit the high-risk areas and communicate with neighbouring provinces for a regional approach to anthrax surveillance and control.
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Antraz , Vacinas , Humanos , Bovinos , Animais , Cavalos , Antraz/epidemiologia , Antraz/veterinária , Gado , Laos , Vietnã/epidemiologiaRESUMO
INTRODUCTION AND IMPORTANCE: Abdominal ectopic pregnancy (AEP) located at hepatic region and pelvic-wall ectopic pregnancy (EP) are rare entities, that provoking a potentially life-threatening condition. Due to insufficient data, a proper management of non-specific types remains a challenge for all gynecologists worldwide. CASE PRESENTATION: Two child-bearing age women were hospitalized due to delayed menstruation and a urine pregnancy test was positive without a determination of intrauterine pregnancy. The first EP case was located at the pelvic wall which identified incidentally during laparoscopy for a presumed tubal ectopic pregnancy on ultrasonography throughout. The second EP case was found at the hepatic region due to intermittent pain rising from the right upper quadrant region and serial ultrasonic findings. In our management, both cases were successfully assessed by laparoscopy and laparotomy without requiring further intervention, respectively. CLINICAL DISCUSSION: An accurate diagnosis of EP location at liver and pelvic wall is totally difficult since its uncommon location. An initial assessment should be based on clinical symptoms and the treatment remains controversial. The surgical management including laparotomy and laparoscopy depends on clinical evaluation, experience of surgeon, and interdisciplinary team. Thus, these abnormal sites of ectopic pregnancy ought to take into consideration for all gynecologists in an emergency condition with a major hemorrhage. CONCLUSIONS: In reproductive age women, primary EP at liver and pelvic wall should be considered with high index of suspicion if intrauterine pregnancy is totally excluded. Timely diagnosis, rational management by surgical excision, and a multidisciplinary team can reduce substantially adverse outcomes.
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Conventional photosensitizers (PSs) used in photodynamic therapy (PDT) have shown preliminary success; however, they are often associated with several limitations including potential dark toxicity in healthy tissues, limited efficacy under acidic and hypoxic conditions, suboptimal fluorescence imaging capabilities, and nonspecific targeting during treatment. In response to these challenges, we developed a heavy-atom-free PS, denoted as Cz-SB, by incorporating ethyl carbazole into a thiophene-fused BODIPY core. A comprehensive investigation into the photophysical properties of Cz-SB was conducted through a synergistic approach involving experimental and computational investigations. The enhancement of intersystem crossing (kISC) and fluorescence emission (kfl) rate constants was achieved through a donor-acceptor pair-mediated charge transfer mechanism. Consequently, Cz-SB demonstrated remarkable efficiency in generating reactive oxygen species (ROS) under acidic and low-oxygen conditions, making it particularly effective for hypoxic cancer PDT. Furthermore, Cz-SB exhibited good biocompatibility, fluorescence imaging capabilities, and a high degree of localization within the mitochondria of living cells. We posit that Cz-SB holds substantial prospects as a versatile PS with innovative molecular design, representing a potential "one-for-all" solution in the realm of cancer phototheranostics.
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Mitocôndrias , Imagem Óptica , Fotoquimioterapia , Fármacos Fotossensibilizantes , Espécies Reativas de Oxigênio , Fármacos Fotossensibilizantes/química , Fármacos Fotossensibilizantes/farmacologia , Humanos , Mitocôndrias/metabolismo , Mitocôndrias/efeitos dos fármacos , Espécies Reativas de Oxigênio/metabolismo , Compostos de Boro/química , Compostos de Boro/farmacologia , Carbazóis/química , Carbazóis/farmacologia , Células HeLa , Tiofenos/química , Tiofenos/farmacologia , Linhagem Celular TumoralRESUMO
Machine learning (ML) techniques have shown great potential for screening corrosion inhibitors. In this study, a data-driven quantitative structure-property relationship (QSPR) model using the gradient boosting decision tree (GB) algorithm combined with the permutation feature importance (PFI) technique was developed to predict the corrosion inhibition efficiency (IE) of organic compounds on carbon steel. The results showed that the PFI method effectively selected the molecular descriptors most relevant to the IE. Using these important molecular descriptors, an IE predictive model was trained on a dataset encompassing various categories of organic corrosion inhibitors for carbon steel, achieving RMSE, MAE, and R2 of 6.40%, 4.80%, and 0.72, respectively. The integration of GB with PFI within the ML workflow demonstrated significantly enhanced IE predictive capability compared to previously reported ML models. Subsequent assessments involved the application of the trained model to drug-based corrosion inhibitors. The model demonstrates robust predictive capability when validated on available and our own experimental results. Furthermore, the model has been employed to predict IE for more than 1500 drug compounds, suggesting five novel drug compounds with the highest predicted IE on carbon steel. The developed ML workflow and associated model will be useful in accelerating the development of next-generation corrosion inhibitors for carbon steel.
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Research on natural products is growing due to their potential health benefits and medicinal properties. Despite regional variations in phytochemical composition and bioactivity, Smilax glabra Roxb (SGB) has attracted the interest of researchers. Scientists are particularly interested in the Vietnamese SGB variant, which is influenced by biological and environmental factors. Despite geographical differences in phytochemical makeup and bioactivities, SGB remains a fascinating subject in traditional herbal medicine. Using ultra-performance liquid chromatography and quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS), the phytochemicals in Vietnamese SGB extracts were investigated. This study revealed a wide range of phytochemical compounds, including flavonoids, terpenoids, glycosides, alkaloids, organic acids, phenolics, and steroids. Furthermore, utilizing zebrafish as a model organism, we discovered that these extracts have the surprising ability to greatly improve the survival rate of zebrafish larvae exposed to oxidative stress caused by arsenite (NaAsO2) and hydrogen peroxide (H2O2). Notably, our discoveries suggest the occurrence of new antioxidative pathways in addition to the kelch-like ECH-associated protein 1 (Keap1)/nuclear factor erythroid 2-related factor 2 (Nrf2) pathway, expanding the understanding of the antioxidant properties and potential therapeutic uses of these plants. To summarize, our research findings shed light on the phytochemical composition of Vietnamese SGB, revealing its potential as a natural antioxidant and encouraging further exploration of its underlying mechanisms for future innovative antioxidant therapies.
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Two new glycosides, sindosides A-B (1-2), along with 11 previously identified metabolites (3-13), were isolated from an ethanolic extract of the leaves of Sindora siamensis var. maritima. The structures of the purified phytochemicals were elucidated by interpreting their spectroscopic data (IR, NMR, and HRMS). The absolute configuration of compound 1 was established by experimental and calculated ECD spectra. The antimicrobial results revealed that compound 8 selectively inhibited C. albicans fungal with a MIC value of 64 µg/mL, whereas 11 presented a weak inhibition toward E. faecalis, S. aureus, and B. cereus bacterial strains with the same MIC value of 128 µg/mL. Interestingly, compounds 1, 2, 8, 9, and 11 showed α-glucosidase inhibitory activity with IC50 values ranging from 14.42 ± 0.21 to 30.62 ± 0.18 µM, which were more active than the positive control (acarbose, with an IC50 value of 46.78 ± 1.37 µM). Enzyme kinetic analysis revealed that compounds 1, 2, and 11 behaved as uncompetitive inhibitors with Ki values of 8.60 ± 1.04, 5.16 ± 0.73, and 7.17 ± 0.98 µM, respectively.
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Anti-Infecciosos , alfa-Glucosidases , alfa-Glucosidases/metabolismo , Cinética , Staphylococcus aureus , Anti-Infecciosos/farmacologia , Extratos Vegetais/química , Inibidores de Glicosídeo Hidrolases/farmacologia , Inibidores de Glicosídeo Hidrolases/químicaRESUMO
Background: Unilateral absence of the pulmonary artery (UAPA) is a very rare congenital anomaly. OBJECTIVE: To analyze the diagnostic strategy applied to seven patients with UAPA who were examined and subsequently treated at the National Lung Hospital, Hanoi, Vietnam. METHODS: All seven patients, including three pediatric cases (1, 2, and 14 years old) and four adult cases (21, 26, 44, and 53 years old), had a history of recurrent pneumonia, and the clinical symptoms on admission included cough, progressive dyspnea, chest pain, and fatigue. The patients were initially examined clinically, followed by hematological testing, blood biochemistry testing, and chest X-ray radiology. The results suggested UAPA, so echocardiography and contrast-enhanced chest computed tomography (CT) were performed as soon as practical. RESULTS: The echocardiographic and CT imaging findings confirmed the suspected diagnosis of UAPA in all seven patients, which was accompanied by congenital heart disease in three patients. Three of the seven patients had mild and medium pulmonary hypertension. All seven patients were treated with drugs, which led to improvement in symptoms. CONCLUSION: Frontal chest X-ray provided the initial signs suggesting a diagnosis of UAPA. Subsequent echocardiography and contrast-enhanced chest CT were effective diagnostic tools for fast and accurate confirmation of UAPA.
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