Favorable Values Research Articles

A novel online calculator based on inflammation-related endotypes and clinical features to predict postoperative pulmonary infection in patients with cervical spinal cord injury

BackgroundPostoperative pulmonary infection (POI) of patients with cervical spinal cord injury (CSCI) is highly heterogeneous, while the potential endotypes and related risk factors remain unclear. MethodsA retrospective collection of 290 CSCI patients was conducted from January 2010 to July 2024 using 1:1 propensity score matching to compare POI (n = 145) and non-POI (n = 145) groups. We generated laboratory examination data from admission patients and identified endotypes using unsupervised consensus clustering and machine learning. CSCI patients were randomly assigned to the training set (n = 203) and internal validation set (n = 87). A separate cohort comprising 245 CSCI patients were used for external validation. Independent predictors for POI were identified using univariate and multivariate logistic regression. A nomogram and an online calculator were developed and validated, both internally and externally. ResultsTwo inflammation-related endotypes were identified: high inflammation endotype (endotype C1) and low inflammation endotype (endotype C2). Eight predictors for POI were identified (including age, operation duration, number of surgical segments, time between injury and surgery, preoperative steroid pulse, American Spinal Injury Association (ASIA) grade, smoking history, and inflammation-related endotype). A nomogram integrating the risk factors showed excellent discrimination in the training set (AUC, 0.976; 95% CI 0.956–0.996), internal validation set (AUC, 0.993; 95% CI 0.981–1.000), and external validation set (AUC, 0.799; 95%CI 0.744–0.854). Calibration curves demonstrated excellent fit, and decision curves highlighted its favorable clinical value. An online calculator (https://tjspine.shinyapps.io/dynnomapp/) was constructed to improve the convenience and efficiency of our prediction model. ConclusionsWe identified inflammation-related endotype and constructed a web-based calculator for predicting POI in patients with CSCI, exhibiting excellent clinical utility.

Genome-wide assessment of population structure and association mapping for agronomic and grain nutritional traits in proso millet (Panicum miliaceum L.)

Proso millet is an important but under-researched and underutilized crop with the potential to become a future smart crop because of its climate-resilient features and high nutrient content. Assessing diversity and marker-trait associations are essential to support the genomics-assisted improvement of proso millet. This study aimed to assess the population structure and diversity of a proso millet diversity panel and identify marker-trait associations for agronomic and grain nutrient traits. In this study, genome-wide single nucleotide polymorphisms (SNPs) were identified by mapping raw genotyping-by-sequencing (GBS) data onto the proso millet genome, resulting in 5621 quality-filtered SNPs in 160 diverse accessions. The modified Roger's Distance assessment indicated an average distance of 0.268 among accessions, with the race miliaceum exhibiting the highest diversity and ovatum the lowest. Proso millet germplasm diversity was structured according to geographic centers of origin and domestication. Genome-wide association mapping identified 40 marker-trait associations (MTAs), including 34 MTAs for agronomic traits and 6 for grain nutrients; 20 of these MTAs were located within genes. Favourable alleles and phenotypic values were estimated for all MTAs. This study provides valuable insights into the population structure and diversity of proso millet, identified marker-trait associations, and reported favourable alleles and their phenotypic values for supporting genomics-assisted improvement efforts in proso millet.

Death euphemisms on tombstones: A case of the Vhavenḓa’s metaphorical conceptualisation of death

Direct reference to death has long been taboo in Tshivenḓa culture, and it is sanctioned by social, psychological and religious constraints. Like in other African societies, explicit reference to death is considered a taboo by the Vhavenḓa. This is because the Vhavenḓa view death as a transition from the land of the living to the land of the dead, which ultimately foregrounds their belief that a dead person transforms into an ancestor who has the power to care, protect, bless and even curse the living. Consequently, the subject of death and reference to it is treated as sacred among the Vhavenḓa. For this reason, the Vhavenḓa utilise euphemisms when discussing death. Against this backdrop, this qualitative study explored whether death-related conceptual metaphors on tombstones in Tshivenḓa lessen pain and the impact of death on those affected using the framework of the conceptual metaphor theory (CMT). A corpus of 160 epitaphs from the Khubvi Cemetery in Thulamela Local Municipality served as the source of the study’s data. The study’s findings showed that gravestone conceptualisations of death imply a favourable value judgment of human mortality and help those who are still alive cope with the loss and pain associated with death. The study lays the groundwork for further research into why conceptual metaphors of death emphasise the negative features of death, while language use emphasises the positive aspects.

Long Non-Coding RNA CRNDE, LINC00957, and AC072061.1 as a Promising Diagnostic and Prognostic Biomarker in Glioblastoma Multiforme.

Glioblastoma multiforme (GBM) is one of the most invasive types of brain cancer. LncRNAs can be considered a new prognostic and diagnostic biomarker in GBM. This study comprehensively explored the interaction of lncRNAs with mRNAs in the TCGA database and proposed a novel promising biomarker with favorable diagnostic and prognostic values. The public data of RNA-seq and related clinical data were downloaded from the TCGA database. Differential expression analysis was conducted in R. GO and KEGG signaling pathways were used for enrichment. The STRING database was used for PPI analysis. CE-network was constructed by STAR database. Kaplan-Meier survival analysis and ROC curve analysis to indicate the biomarkers' diagnostic and prognostic values. Differentially expressed data illustrated that 4428 mRNAs were differentially expressed in GBM. The GO and KEGG pathway analysis showed that the differentially expressed mRNAs were enriched in critical biological processes. The PPI showed that WEE1, BARD1, and CDK6 were the important PPI hubs. The ceRNA network data demonstrated critical lncRNAs. The data revealed that the lncRNA CRNDE, LINC00957, AC072061.1, AC068888.1, and DBH-AS1 are potential diagnostic prognostic biomarkers in the GBM patients. Altogether, we demonstrated lncRNA, and mRNA interaction and mentioned regulatory networks, considered a therapeutic option in GBM. In addition, we proposed potential diagnostic and prognostic biomarkers for the patients.

Survival study of enteral and parenteral nutrition pathways in critically ill patients receiving vasopressors: an analysis of the Medical Information Mart for Intensive Care-IV database.

This study compared survival outcomes between intensive care unit (ICU) patients receiving enteral nutrition (EN) and parenteral nutrition (PN) with vasopressor support, explored risk factors affecting clinical outcomes and established an evaluation model. Data from 1046 ICU patients receiving vasopressor therapy within 24 h from 2008 to 2019 were collected. Patients receiving nutritional therapy within 3 d of ICU admission were divided into EN or PN (including PN+EN) groups. Cox analysis and regression were used to determine relevant factors and establish a nomogram for predicting survival. The 28-d survival rate was significantly better in the EN group compared with the PN/PN+EN group. Risk factors included age, peripheral capillary oxygen saturation, red cell distribution width, international normalised ratio, potassium level, mean corpuscular Hg, myocardial infarction, liver disease, cancer status and nutritional status. The nomogram showed good predictive performance. In ICU patients receiving vasopressor drugs, patients receiving EN had a better survival rate than PN. Our nomogram had favourable predictive value for 28-d survival in patients. However, it needs further validation in prospective trials.

Prediction of EGFR-TP53 genes co-mutations in patients with lung adenocarcinoma (LUAD) by 18F-FDG PET/CT radiomics.

This retrospective study was undertaken to assess the predictive efficacy of 18F-FDG PET/CT -derived radiomic features concerning the co-mutation status of epidermal growth factor receptor (EGFR) and TP53 in LUAD. A cohort of 150 LUAD patients underwent pretreatment 18F-FDG PET/CT scans with known mutation status of EGFR and TP53 were collected. The feature extraction based on their PET/CT images utilized the Pyradiomics packagebased on the 3D Slicer. The optimal radiomic features were selected through correlation analysis and the Gradient Boosting Decision Tree (GBDT) algorithm, followed by the construction of the radiomic model. The clinical model incorporated meaningful clinical variables, whereas the complex model integrated both the radiomic and clinical models. The area under the receiver operating characteristic curve (AUC) facilitated the comparison of prediction performance across the three models. The DCA gauged the clinical utility of these models. The patient cohort was randomly allocated into a training set (n = 105) and a validation set (n = 45) in a 7:3 ratio. Eleven PET and eleven CT optimal radiomic features were selected to construct the radiomic model. The model showed a good ability to discriminate the co-occurrence of EGFR and TP53, with AUC equal to 0.850 in the training set, and 0.748 in the validation set, compared with 0.750 and 0.626 for the clinical model. The complex model exhibited the highest AUC values, with 0.880 and 0.794 in both sets, but there were no significant differences compared to the radiomic model. The DCA revealed favorable clinical value.

Evaluating the performance effectiveness of briquettes made from coconut dreg charcoal (CDC), tea residue (TR), and cocoa pod (CP)

Abstract Environmental pollution, depletion of fossil fuels, and a significant rise in the human population are contributing to an increase in the greenhouse gas in the atmosphere. Addressing these challenges necessitates the production of clean, low-carbon emission, and sustainable bioenergy, such as briquettes, which can significantly contribute to knowledge and innovation. To assess the effectiveness of briquettes, their characteristics need to be tested using proximate analysis. In examining the characteristics of briquettes, the average moisture content of coconut dreg charcoal and tea residue (CDC+TR) measured 4.835%, contrasting with the 5.9% found in the cocoa pod (CP). The average ash content in CDC+TR was 2.351%, while CP recorded 3.2%. The average volatile matter in CDC+TR was 24.993%, while in CP, it was 31.5%. CDC+TR had an average fixed carbon of 67.815%, compared to CP of 59.5%. Furthermore, the average gross calorific value in CDC+TR was 4562.16 cal/g, whereas in CP, it was 4205.2 cal/g. In conclusion, CP briquettes could serve as an alternative energy source due to ease of production, low sulfur content, and favorable calorific value. CDC+TR, on the other hand, enhanced energy efficiency because of their lower moisture content, ash content, and volatile matter. Additionally, CDC+TR briquettes had higher fixed carbon and gross calorific values compared to CP, making them a suitable energy source.

Validation of the Devereux early childhood assessment for preschoolers in measuring child well-being in Indonesia

Child well-being remains a pressing issue in Indonesia, with many children lacking fulfillment of essential physical and psychological needs. Addressing this requires valid and reliable tools to assess early childhood well-being, yet few instruments have been adapted for the Indonesian context. This study aims to adapt and validate the Devereux Early Childhood Assessment for Preschoolers (DECA-P), a comprehensive tool designed for parent and teacher reports on early childhood well-being. Data were collected from 377 parents of children aged 1 to 6 years. Results indicate that the Indonesian adaptation of DECA-P demonstrates strong internal reliability. Additionally, validity testing using the Pearson Product-Moment Correlation Coefficient yielded favorable values. These findings suggest that the Indonesian DECA-P adaptation is a suitable instrument for assessing early childhood well-being in Indonesia. Keywords: Assessment; childhood well-being; Devereux early childhood; well-being

Identification of DNA methylation-regulated WEE1 with potential implications in prognosis and immunotherapy for low-grade glioma.

WEE1 is a critical kinase in the DNA damage response pathway and has been shown to be effective in treating serous uterine cancer. However, its role in gliomas, specifically low-grade glioma (LGG), remains unclear. The impact of DNA methylation on WEE1 expression and its correlation with the immune landscape in gliomas also need further investigation. This study used data from The Cancer Genome Atlas (TCGA), Chinese Glioma Genome Atlas (CGGA), and Gene Expression Omnibus (GEO) and utilized various bioinformatics tools to analyze gene expression, survival, gene correlation, immune score, immune infiltration, genomic alterations, tumor mutation burden, microsatellite instability, clinical characteristics of glioma patients, WEE1 DNA methylation, prognostic analysis, single-cell gene expression distribution in glioma tissue samples, and immunotherapy response prediction based on WEE1 expression. WEE1 was upregulated in LGG and glioblastoma (GBM), but it had a more significant prognostic impact in LGG compared to other cancers. High WEE1 expression was associated with poorer prognosis in LGG, particularly when combined with wild-type IDH. The WEE1 inhibitor MK-1775 effectively inhibited the proliferation and migration of LGG cell lines, which were more sensitive to WEE1 inhibition. DNA methylation negatively regulated WEE1, and high DNA hypermethylation of WEE1 was associated with better prognosis in LGG than in GBM. Combining WEE1 inhibition and DNA methyltransferase inhibition showed a synergistic effect. Additionally, downregulation of WEE1 had favorable predictive value in immunotherapy response. Co-expression network analysis identified key genes involved in WEE1-mediated regulation of immune landscape, differentiation, and metastasis in LGG. Our study shows that WEE1 is a promising indicator for targeted therapy and prognosis evaluation. Notably, significant differences were observed in the role of WEE1 between LGG and GBM. Further investigation into WEE1 inhibition, either in combination with DNA methyltransferase inhibition or immunotherapy, is warranted in the context of LGG.

Much more favorable lipid values using more intensive lipid-lowering therapy in very high-risk Hungarian patients. Lipid results of the 3T-fight study

Much more favorable lipid values using more intensive lipid-lowering therapy in very high-risk Hungarian patients. Lipid results of the 3T-fight study

Comparative study on lubrication properties of biodiesel and bio-lubricant trans-esterified from desert seed oil with conventional lubricants

In recent years, there has been an increasing focus on renewable and biodegradable energy sources among lubricant manufacturers due to the environmental impacts and limited availability of fossil-based engine oils. Biomass sources present a cost-effective and eco-friendly alternative to traditional mineral oil sources. This study aims to produce and characterize biodiesel and biolubricant from desert date seed oil through transesterification. The result of the study was compared with the properties of conventional and commercial lubricants. The study employed transesterification to convert desert date seed oil into biodiesel and biolubricant. The produced biolubricant and biodiesel were characterized to determine their kinematic viscosity at 40°C, specific gravity, flash point, and pour point. These properties were then compared with those of other bio-lubricants and commercial base lubricants. For biodiesel, the yield was 56%, with a favorable acid value (0.98 mg KOH/g), iodine value (43.41 mg/g), and saponification value (197.4 mg KOH/g). Although, the specific gravity (1.876) was higher than ASTM standard. However, the flash point (112°C) and cloud point (11°C) were within acceptable ranges. The biolubricant produced from desert date oil showed promising results with a high kinematic viscosity of 67.54 mm2/s, a specific gravity of 1.876, a flash point of 120°C and a pour point (−5°C). These results obviously suggest the produced lubricant a suitable for automotive applications possessing good low-temperature performance. The flash point result and the physicochemical properties of the oil aligned well with industrial standards. The comparisons revealed that the produced biolubricant closely matched the properties of SAE VG 220 and SAE VG 40. The findings suggest that the biolubricant and biodiesel derived from desert date seed oil can serve as a viable substitute for petroleum-based lubricants in light gear applications and can be effectively used in two-stroke engines, providing a sustainable alternative to conventional lubricants.

Clinical Outcomes and Risk Factors of Heart Transplantation Patients Experiencing Gastrointestinal Bleeding.

Gastrointestinal bleeding (GIB) after heart transplantation (HT) remains a significant clinical issue. This study aimed to explore the incidence, trends, outcomes, and clinical predictors of GIB in HT patients. Adult patients who underwent HT between 2015 and 2021 at Union Hospital were recruited and divided into two groups based on the presence or absence of postoperative GIB. The primary outcomes were evaluated at follow-up. Independent predictors of GIB after HT were identified using a logistic regression analysis. A nomogram prediction model was constructed according to these independent variables, and the accuracy of the model was assessed using the receiver operating characteristic (ROC) curve and the calibration curve. Among the 461 patients, 40 (8.7%) developed GIB post-HT. HT patients with postoperative GIB exhibited higher in-hospital, 30-day, 90-day, and 1-year mortality (all p < 0.05). A multivariate analysis was used to identify age, preoperative warfarin, postoperative continuous renal replacement therapy, and postoperative nasogastric tubes as independent risk factors for GIB following HT. A nomogram prediction model was applied using the four variables. The area under the curve (AUC) of this model was 0.852 (95% CI: 0.787-0.917, p < 0.001), and the calibration curve was close to the ideal diagonal line. GIB following HT is associated with a poor clinical prognosis. The constructed nomogram demonstrated a favorable predictive value for GIB.

Efficacy, safety, and tolerability of lifitegrast 5% eye drops: A randomized, double-blind, active-controlled trial in Indian patients with dry eye disease.

To compare the efficacy, safety, and tolerability of lifitegrast 5% versus carboxymethylcellulose (CMC) 0.5% in adult patients with dry eye disease (DED). A total of 370 eligible patients with DED were randomized equally to receive twice-daily doses of a single drop in each eye of either lifitegrast 5% or CMC 0.5% for 12 weeks. Follow-up at weeks 2, 6, and 12 evaluated changes from baseline in primary [eye dryness score (EDS), ocular discomfort score (ODS), ocular surface disease index (OSDI), and tear film break-up time (TFBUT)] and secondary [Schirmer tear test (STT) score and corneal fluorescein staining (CFS) score] endpoints. Global improvement, safety, and tolerability were also assessed. At week 2, values of ocular discomfort score, OSDI, and conjunctival redness were significantly more favorable in patients treated with lifitegrast compared to CMC. At week 6, values of all study variables were better in patients treated with lifitegrast compared to CMC; differences between the groups were statistically significant for all except photophobia. This trend was also maintained at week 12. Global improvement and tolerability were found to be better with lifitegrast than with CMC. No serious safety concerns were reported in any treatment group. To our knowledge, this is the first active-controlled trial informing on the efficacy, safety, and tolerability of lifitegrast 5%. Significantly more favorable values for EDS (except photophobia), ODS, OSDI, TFBUT, STT score, CFS score, and conjunctival redness score were achieved at week 12 with lifitegrast 5% compared to CMC 0.5%.

Molecular docking of sterol derivatives in Tagetes erecta Linn. as an antiatherosclerotic agents through activation of PPARγ and LXRα receptors

Atherosclerosis is a condition characterized by inflammation in the arteries, which is linked with the accumulation of lipids and alterations in metabolism. Considering that atherosclerosis is the main factor causing death in the world, it is necessary to carry out immediate prevention and treatment to reduce the risk of developing clinical severity. The creation of foam cells, which originate from macrophages, is considered a key element in cardiovascular ailments, particularly in the advancement of atherosclerosis. Two types of the nuclear receptors known as Peroxisome proliferator-activated receptor γ (PPARγ) and liver X receptor α (LXRα), which serve as a primary regulator of cholesterol, intracellular lipid homeostasis and they are instrumental in the process of reverse cholesterol transport (RCT). Activation of these receptors could potentially decrease foam cell formation, consequently lowering the risk of atherogenesis and reducing cardiovascular disease risk. This research aims to determine sterol derivative compounds in Tagetes erecta Linn. which have the best interaction and potential as anti-atherosclerosis through peroxisome proliferator-activated receptor γ (PPARγ) and liver X receptor α (LXRα) activation. The analysis of this study is using docking molecular analysis. The parameters observed in this study were docking score, visualization results, absorption, distribution, metabolism, excretion profile, and toxicity value. The molecular docking outcomes indicate that β-sitosterol and 7β-hydroxysitosterol possess the most favorable binding energy values. They exhibit a positive pharmacokinetic profile, with the exception of gastrointestinal absorption and respiratory toxicity.

Experimental Analysis of Bonding in Steel Glued into Pine Timber.

Combining steel with wood has been practised for many years. The issue is related to two main areas, i.e., bonding steel elements with wood so that they serve as connectors facilitating the assembly of wood elements and bonding steel elements to wood beams to improve their load-bearing capacity. In the first case, the adhesives used may be relatively expensive and more difficult to apply, whereas in the second one, especially when steel elements are glued inside the glulam (GL) beams, it is better if the adhesives used are more accessible to apply and cheaper. As it seems rational to reinforce wood with high-modulus ties, research has been carried out to compare the connection quality of commercially available adhesives that can be used for this purpose. Moreover, thermosetting adhesives have been applied as an alternative and cheaper solution. Thermostat adhesives also have a high pH of the bond, which prevents the steel from rusting. The research shows that the load-bearing capacity of the bond depends on whether the bars are ribbed or sheet metal. Moreover, among thermosetting adhesives, the most favourable load-bearing values were obtained using a mixture of PF/pMDI (phenol formaldehyde resin/polymeric diphenylmethane diisocyanate) and powder from recycled tyres. The shear strength of these joints was 1.63 N/mm2 and 3.14 N/mm2 for flat specimens and specimens with ribbed bars, respectively.

Highly sensitive diamond X-ray detector array for high-temperature applications

Diamond is a highly suitable material for X-ray detectors that can function effectively in harsh environments due to its unique properties, such as an ultrawide bandgap, high resistance to radiation, excellent carrier mobility, and remarkable chemical and thermal stability. However, the sensitivity of diamond X-ray detectors needs further improvement due to the relatively low X-ray absorption efficiency of diamond, and the exploration of single-crystal diamond array imaging remains unexplored. Herein, a 10×10 X-ray photodetector array was constructed from single-crystal diamond. To improve the sensitivity of the diamond X-ray detector, an asymmetric sandwich electrode structure was utilized. Additionally, trenches are created through laser cutting to prevent crosstalk between adjacent pixels. The diamond X-ray detector array shows exceptional performance, including a low detection limit of 4.9 nGy s-1, a sensitivity of 14.3 mC Gy-1 cm-2, and a light-dark current ratio of 18312, which are among the most favorable values ever reported for diamond X-ray detectors. Furthermore, these diamond X-ray detectors can operate at high temperatures up to 450 °C, making them suitable for development in harsh environments.

In situ encapsulation of capsaicinoids in MIL-88A as a food-grade nanopreservative for meat safety

The biocompatible MIL-88A metal-organic framework (MOF), synthesized from food-grade fumaric acid and ferric chloride, was introduced for the efficient one-step in situ encapsulation of capsaicinoids as a nanopreservative. The resulting MIL-88A@Caps nanoparticles can load 61.43 mg/g of capsaicinoids, surpassing conventional MOF-based encapsulation. The potent MIL-88A@Caps nanoformulations synergize the intrinsic antimicrobial properties of MIL-88A and capsaicinoids. At the same concentration (0.5 mg/mL), MIL-88A@Caps was highly effective against S. aureus and Salmonella, with inhibition rates of 94.90 ± 0.58% and 94.30 ± 1.24%, respectively, compared to MIL-88A (62.28 ± 5.04% and 70.46 ± 1.96%) and capsaicinoids (63.68 ± 1.25% and 49.53 ± 1.22%), respectively. Model precooked-chicken preservation experiments revealed that MIL-88A@Caps significantly delayed spoilage parameters compared to untreated samples, with more favorable viable counts (8.08 lgCFU/g), pH value (6.60 ± 0.02), TVB-N value (8.59 ± 0.21 mg/100 g), and color changes on day 9. Our findings yield a green nanopreservative for meat safety.

Augmented Reality in Natural Sciences and Biology Teaching: Systematic Literature Review and Meta-Analysis

This article presents the results of a systematic literature review followed by a meta-analysis of studies on the use of Augmented Reality (AR) in the teaching and learning of Natural Sciences and Biology, among primary and secondary school students. The variables considered were the effects on student learning and motivation, as well as other variables like students understanding and students’ perception of the cognitive load. The teaching contexts and strategies used in association with AR were also considered. The PRISMA methodology was used in articles published between 2010 and 2023, in EBSCO, Science Direct, Scopus, Springer Link, Taylor &amp; Francis and Web of Science databases. Seven hundred and twenty-one articles (721) were found, which, after applying the inclusion and exclusion criteria, were reduced to 15. The results showed that, in most studies, AR associated with certain teaching strategies and using a quasi-experimental research methodology produced better results in learning and student motivation and other variables such as student understanding and memorization (from Bloom's taxonomy), and perception of cognitive load. The overall analysis of the data allowed us to observe a strong effect size value (d = 1.13 [0.39;1.86]) in favour of the experimental group regarding learning and a moderate effect on motivation when using AR (d = 0.52 [0.30;0.74]). The same occurred with other variables studied where students obtained better results, which translated into a small or medium effect size. For example, in the perception of cognitive load, the effect size was d= 0.73. Doi: 10.28991/ESJ-2024-08-04-025 Full Text: PDF

Flavonoid as a Potent Antioxidant: Quantitative Structure-Activity Relationship Analysis, Mechanism Study, and Molecular Design by Synergizing Molecular Simulation and Machine Learning.

In this work, a quantitative structure-antioxidant activity relationship of flavonoids was performed using a machine learning (ML) method. To achieve lipid-soluble, highly antioxidant flavonoids, 398 molecular structures with various substitute groups were designed based on the flavonoid skeleton. The hydrogen dissociation energies (ΔG1, ΔG2, and ΔG3) related to multiple hydrogen atom transfer processes and the solubility parameter (δ) of flavonoids were calculated using molecular simulation. The group decomposition results and the calculated antioxidant parameters constituted the ML data set. The artificial neural network and random forest models were constructed to predict and analyze the contribution of the substitute groups and positions to the antioxidant activity. The results showed the hydroxyl group at positions B4', B5', and B6' and the branched alkyl group at position C3 in the flavonoid skeleton were the optimal choice for improving antioxidant activity and compatibility with apolar organic materials. Compared to the pyrogallol group-grafted flavonoid, the designed potent flavonoid decreased ΔG1 and δ by 2.2 and 15.1%, respectively, while ΔG2 and ΔG3 kept the favorable lower values. These findings suggest that an efficient flavonoid prefers multiple ortho-phenolic hydroxyl groups and suitable sites with hydrophobic groups. The combination of molecular simulation and the ML method may offer a new research approach for the molecular design of novel antioxidants.

Ga68-PSMA PET for lymph node staging in intermediate and high-risk prostate cancer patients undergoing robotic assisted radical prostatectomy.

In intermediate/high risk prostate cancer, preoperative staging exams are mandatory. The aim of these imaging studies is to evaluate eventual lymph nodes involvement and/or metastatic spread of the tumor. Nevertheless, computed tomography (CT), magnetic resonance imaging (MRI), bone scan modalities have controversial sensitivity. Introduction of PET-PSMA and its use also as preoperative exam, seems to improve diagnostic accuracy due to favorable negative predictive value. The aim of this study was to evaluate the accuracy of PET-PSMA as a preoperative staging exam and its accuracy in predicting lymph nodes involvement in intermediate/high risk prostate cancer (PCa) patients. A retrospective analysis of 50 patients diagnosed with intermediate/high risk PCa between 2018 and 2022 has been performed. All patients underwent preoperative 68Ga-PSMA PET/CT prior to robot-assisted radical prostatectomy (RARP) + extended pelvic lymph node dissection (ePLND). The cohort was categorized into two groups: pathologically negative lymph nodes (pN0) vs. positive nodes (pN1). A descriptive and comparative analysis was conducted. Correlation analysis between continuous variables was performed using the Spearman's Rank Test. Using lymph nodes histopathological results as reference standard, the diagnostic performance of 68Ga-PSMA PET/CT was calculated. Overall, 50 patients were included. The mean age was 63.3 years with a median prostatic specific antigen (PSA) of 7.7 ng/dL. Forty-four percent of the patients exhibited an International Society of Urological Pathology (ISUP) score of 4 or higher, and 28% had a pT3 stage. Overall, 43 (86%) patients submitted to ePLND did not present lymph node metastases (pN0), while 8 (14%) patients were pN1. PET-PSMA showed low sensitivity in detecting lymph node metastases (25%) while a high specificity in excluding lymph-node disease (88.1%) has been observed. Finally, we noted a significant positive correlation between the total SUV<inf>max</inf> of the prostate and the initial total PSA (r=0.38; P=0.019), as well as the percentage of tumor involvement (r=0.383; P=0.022). Evidence on the role of PET-PSMA in the primary staging of PCa is steadily building up. A positive correlation between SUV and prostate involvement indicates that PET-PSMA could reflect, with a good approximation, the pathological features of the prostate. However, the low sensitivity depicted remains the main limitation. Future prospective studies are needed to determine the impact on patient outcome.