Corroboration of arsenic variation over the Indian Peninsula through standardized precipitation evapotranspiration indices and groundwater level fluctuations: Water quantity indicators for water quality prediction.

The contamination of groundwater with arsenic (As) as a result of geo-morphological and hydrogeochemical factors has been the subject of comprehensive research. However, there has been limited exploration of the spread of As under the influence of dynamic elements such as floods, droughts, and rapidly declining groundwater levels. Moreover, the utilization of rapidly changing natural forces, including hydroclimatic extremes and declining groundwater levels, in conjunction with standard climate indices such as the Standard Precipitation Index (SPI) and the Standard Precipitation Evapotranspiration Index (SPEI), for the purpose of elucidating As distribution has been minimal. Accordingly, this study specifically addresses these water quantity indicators, along with Gravity Recovery and Climate Experiment (GRACE) derived groundwater levels, to expound on As contamination at a Pan-Indian scale. Significant correlations were delineated between SPI, SPEI, GRACE-derived groundwater levels, and arsenic concentrations. Clustering results unveiled the grouping of states according to agro-climatic zones, thereby underscoring the similarities in water quantity dynamics across the Indian peninsula. The study additionally computed the Saturation Index (SI) for aragonite and deliberated on the potential future saturation of this pivotal mineral. The primary contribution of this study lies in the successful demonstration of a methodology for prognosticating As distribution based on available precipitation and climatic indices, groundwater withdrawal, and the geological prospects of agroclimatic zones. The insights derived from the analysis of SPI, GRACE data, and As concentrations furnish valuable input for water resource management vis-à-vis strategies for mitigating As contamination.

Optimizing Rule Weights to Improve FRBS Clustering in Wireless Sensor Networks.

Wireless sensor networks (WSNs) are usually composed of tens or hundreds of nodes powered by batteries that need efficient resource management to achieve the WSN's goals. One of the techniques used to manage WSN resources is clustering, where nodes are grouped into clusters around a cluster head (CH), which must be chosen carefully. In this article, a new centralized clustering algorithm is presented based on a Type-1 fuzzy logic controller that infers the probability of each node becoming a CH. The main novelty presented is that the fuzzy logic controller employs three different knowledge bases (KBs) during the lifetime of the WSN. The first KB is used from the beginning to the instant when the first node depletes its battery, the second KB is then applied from that moment to the instant when half of the nodes are dead, and the last KB is loaded from that point until the last node runs out of power. These three KBs are obtained from the original KB designed by the authors after an optimization process. It is based on a particle swarm optimization algorithm that maximizes the lifetime of the WSN in the three periods by adjusting each rule in the KBs through the assignment of a weight value ranging from 0 to 1. This optimization process is used to obtain better results in complex systems where the number of variables or rules could make them unaffordable. The results of the presented optimized approach significantly improved upon those from other authors with similar methods. Finally, the paper presents an analysis of why some rule weights change more than others, in order to design more suitable controllers in the future.

Hydraulic recharge and element dynamics during salinization in an overexploited coastal aquifer of the world's driest zone: Atacama Desert.

The management of water resources in hyper-arid coastal regions is a challenging task because proper information regarding groundwater recharge and water budget is needed for maintaining the hydraulic balance in optimal conditions, avoiding salinization and seawater intrusion. Thus, this article deals with the estimation of the hydraulic recharge and the study of the effects of salinization on the dynamics of trace elements in an alluvial aquifer located in the world's driest zone, the northern Atacama Desert. The result of stable water isotopes (δD and δ18O) and tritium (3H) indicated that groundwater in the area is not recent, whereas 14C results estimated a groundwater residence time ranging between 11,628 and 16,067 yBP. The estimation of the artificial recharge coming from the urban water-supply-system leaks and wastewater/river-water/groundwater infiltration during irrigation was about 19.84 hm3/year, which represents an annual negative water balance of 177 hm3/year for the aquifer. The groundwater salinization triggered by seawater intrusion (up to 32.6 %) has caused the enrichment of Li, Rb, Ca, Ba, and Sr in groundwater by cationic exchange, where the excess of aqueous Na is exchanged by these elements in the aquifer sediments. Other elements such as B, Se, Si, and Sb are enriched in groundwater by ionic strength and/or anionic exchange during salinization. The heightened B concentrations derived from the B-rich alluvial sediments were higher than the limit suggested by international guidelines, representing a risk to consumers. Vanadium seems to be unaffected by salinization, whereas Pb, Mo, As, U, and Zr did not show a clear behavior during saline intrusion. Finally, this article highlights the consequences of conducting improper water management in coastal hyper-arid regions with exacerbated agriculture.

Tribological Performance of Additive Manufactured PLA-Based Parts.

Polymer additive manufacturing has advanced from prototyping to producing essential parts with improved precision and versatility. Despite challenges like surface finish and wear resistance, new materials and metallic reinforcements in polymers have expanded its applications, enabling stronger, more durable parts for demanding industries like aerospace and structural engineering. This research investigates the tribological behaviour of FFF surfaces by integrating copper and aluminium reinforcement particles into a PLA (polylactic acid) matrix. Pin-on-disc tests were conducted to evaluate friction coefficients and wear rates. Statistical analysis was performed to study the correlation of the main process variables. The results confirmed that reinforced materials offer interesting characteristics despite their complex use, with the roughness of the fabricated parts increasing by more than 300%. This leads to an increase in the coefficient of friction, which is related to the variation in the material's mechanical properties, as the hardness increases by more than 75% for materials reinforced with Al. Despite this, their performance is more stable, and the volume of material lost due to wear is reduced by half. These results highlight the potential of reinforced polymers to improve the performance and durability of components manufactured through additive processes.

Thevetia thevetioides Cardenolide and Related Cardiac Glycoside Profile in Mature and Immature Seeds by High-Resolution Thin-Layer Chromatography (HPTLC) and Quadrupole Time of Flight-Tandem Mass Spectrometry (Q-TOF MS/MS) Reveals Insights of the Cardenolide Biosynthetic Pathway.

Thevetia thevetioides is a species within the Apocynaceae family known for containing cardenolide-glycosides, commonly referred to as cardiac glycosides, which are characteristic of this genus. The seeds of the Thevetia species are frequently used as a model source for studying cardiac steroids, as these glycosides can be more readily extracted from the oil-rich seeds than from the plant's green tissues. In this work, the cardenolide profile of ripe and immature seeds was determined and compared to establish the main differences. Ripe seeds contain six related cardenolides and triosides, with thevetin B being the predominant component. In contrast, immature seeds exhibit a total of thirteen cardiac glycosides, including monoglycosides such as neriifolin and peruvosides A, B, and C, as well as diglycosides like thevebiosides A, B, and C. Some of these compounds have previously been identified as degradation products of more complex cardiac glycosides; however, their presence in immature seeds, as described in this study, suggests that they may serve as biosynthetic precursors to the triosides observed in mature seeds. The glycoside patterns observed via HPTLC are associated with specific chemical structures characteristic of this genus, typically featuring thevetose or acetyl-thevetose at the first position, followed by glucose or gentibiose in di- or trisaccharides, independent of the trioside aglycones identified: digitoxigenin, cannogenin, or yccotligenin. Ripe seeds predominantly contain triosides, including thevetin B, C, and A, the latter of which has not been previously reported.

Pyrolysis of End-Of-Life Tires: Moving from a Pilot Prototype to a Semi-Industrial Plant Using Auger Technology.

This work, carried out within the framework of the BlackCycle project, demonstrates the robustness of an auger reactor for the pyrolysis of end-of-life tires (ELTs) to be considered within the seventh level of technology readiness (TRL-7). For this purpose, the resulting pyrolysis products are compared with those obtained from a pilot scale facility ranging within the fifth technology readiness level (TRL-5). Using the same type of ELTs, tire trucks (TTs), operating conditions used at the TRL-5 plant are attempted to mimic those expected at a semi-industrial plant: tailored temperature profile (450, 550, and 775 °C) and residence time for vapors (30 s) and solids (15 min). The feed mass rate is 4 and 400 kg/h for the pilot and semi-industrial plants, respectively. The yields of tire pyrolysis oil (TPO), tire pyrolysis gas (TPG), and raw recovered carbon black (RRCB) from both plants, as well as their key properties and characteristics, are in good agreement with each other. The TPO produced by both plants contains comparable concentrations of value-added chemicals such as benzene, toluene, xylene, ethylbenzene, and limonene. There is also a very similar pattern between the simulated distillation curves. The TPG obtained from both plants is also very rich in H2 and CH4 and has a lower calorific value of 52-54 MJ/Nm3 (N2 free basis). Although the RRCBs produced by the two plants are more demanding and require more labor, they do have a number of comparable characteristics. All this information demonstrates not only the reliability of the experimental campaigns to scale up the pyrolysis process but also the robustness of the semi-industrial scale plant based on the auger technology to be classified at TRL-7.

Molecular cloning, functional characterization and differential expression of two novel GABAAR-like subunits from red swamp crayfish Procambarus clarkii.

In this work, we cloned and functionally expressed two novel GABAA receptor subunits from Procambarus clarkii crayfish. These two new subunits, PcGABAA-α and PcGABAA-ß2, revealed significant sequence homology with the PcGABAA-ß subunit, previously identified in our laboratory. In addition, PcGABAA-α subunit also shared a significant degree of identity with the Drosophila melanogaster genes DmGRD (GABA and glycine-like receptor subunits of Drosophila) as well as PcGABAA-ß2 subunit with DmLCCH3 (ligand-gated chloride channel homolog 3). Electrophysiological recordings showed that the expression in HEK cells of the novel subunits, either alone or in combination, failed to form functional homo- or heteromeric receptors. However, the co-expression of PcGABAA-α with PcGABAA-ß evoked sodium- or chloride-dependent currents that accurately reproduced the time course of the GABA-evoked currents in the X-organ neurons from crayfish, suggesting that these GABA subunits combine to form two types of GABA receptors, one with cationic selectivity filter and the other preferentially permeates anions. On the other hand, PcGABAA-ß2 and PcGABAA-ß co-expression generated a chloride current that does not show desensitization. Muscimol reproduced the time course of GABA-evoked currents in all functional receptors, and picrotoxin blocked these currents; bicuculline did not block any of the recorded currents. Reverse transcription polymerae chain reaction (RT-PCR) amplifications and FISH revealed that PcGABAA-α and PcGABAA-ß2 are predominantly expressed in the crayfish nervous system. Altogether, these findings provide the first evidence of a neural GABA-gated cationic channel in the crayfish, increasing our understanding of the role of these new GABAA receptor subunits in native heteromeric receptors.

Appropriateness of Ketoanalogues of Amino Acids, Calcium Citrate, and Inulin Supplementation for CKD Management: A RAND/UCLA Consensus.

BACKGROUND: Current treatment for chronic kidney disease (CKD) focuses on improving manifestations and delaying progression. Nutritional approaches play a crucial role in CKD management, and various supplements have become available. Ketoanalogues of amino acids (KAs), calcium citrate, and inulin have been proposed as suitable supplements, yet their widespread use has been limited due to insufficient evidence. This study aimed to generate general guidance statements on the appropriateness of these supplements through a RAND/UCLA consensus process. METHODS: A RAND/UCLA consensus panel was convened to evaluate the appropriateness of these supplements in different clinical scenarios. In this study, we present a subgroup analysis focusing on a panel of eleven clinical nephrologists from among the experts. RESULTS: Supplementation of low-protein diets (LPDs) and very low-protein diets (VLPDs) with KA was considered appropriate to reduce manifestations and delay CKD outcomes, supplementation with calcium citrate is considered appropriate to reduce CKD manifestations, and supplementation with inulin is considered appropriate to delay CKD outcomes and manage comorbidities. CONCLUSIONS: Based on a combination of clinical experience and scientific evidence, the panel reached a consensus that KA supplementation of LPD and VLPD, calcium citrate, and inulin are appropriate in patients with CKD across various scenarios.

Technique "without bone tunnels" (Micheli-Kocher) in anterior cruciate ligament reconstruction in growing patients. Surgical details and our experience with 19 cases.

BACKGROUND: given the boom in sports in school age, its intensity and the increase in sports in females, we are experiencing a boom in sports injuries characteristic of "adults" in growing patients, the anterior cruciate ligament being an injury with possible serious consequences. METHODS: to show the surgical technique "without bone tunnels" by Micheli-Kocher in anterior cruciate ligament reconstruction in growing patients based on our results in 20 patients. RESULTS: since 2017 we have performed the technique "without bone tunnels" by Micheli-Kocher in 30 patients, 20 of whom have been followed up for more than 2 years. In our study, we have observed a return to previous sports activity in more than 90% of the patients, with only one patient undergoing reoperation due to a new rupture of the plasty. The results on the IKDC scales show an improvement in mean score from 42 points preoperatively to 84 postoperatively and on the Lysholm scale from 48 preoperatively to 94 postoperatively. CONCLUSIONS: the technique "without bone tunnels" by Micheli-Kocher is a technique indicated in patients under 12 years of age and Tanner stage 2 or less. It is a technique of moderate complexity with excellent results in recovery from previous sports activity and knee stability. LEVEL OF EVIDENCE: Level IV (case series).

Cost-effectiveness of blinatumomab for the treatment of B­precursor acute lymphoblastic leukemia pediatric patients with high­risk first­relapse in Mexico.

BACKGROUND: Blinatumomab is a CD3/CD19-directed bispecific T-cell engager molecule that engages T cells to lyse CD19-expressing B cells. Based on a multicenter, open-label, phase 3, randomized clinical trial (Clinical Trials ID: NCT02393859), we aimed to evaluate the cost-effectiveness (CE) of blinatumomab compared to standard consolidation chemotherapy (SC) for the treatment of pediatric patients with high-risk first-relapsed Philadelphia chromosome-negative B-cell precursor acute lymphoblastic leukemia (B-ALL) from a Mexico healthcare payer perspective. METHODS: A decision-analytic model, a partitioned survival model, was used to estimate the life-years (LYs) and costs over a lifetime horizon. We assumed that patients who remained alive beyond a 5-year period were cured. To account for the lingering impacts of cancer treatment, an excess mortality rate was incorporated into the model. Event-free survival (EFS) and overall survival (OS) were estimated by fitting mixture-cure and standard parametric survival distributions to the time-to-event data from the phase 3 trial. The model accounted for treatment costs, adverse event costs, follow-up costs, subsequent allogeneic hematopoietic stem cell transplantation (alloHSCT) costs, and subsequent treatment costs. RESULTS: Blinatumomab was associated with a lifetime gained of 5.11 years at an incremental cost of $621,111 MXN, relative to SC. The ICER for blinatumomab vs Standard of care was estimated to be $121,526 MXN/LY gained in the base case. Cost-effectiveness was sensitive to varying the time horizon. Blinatumomab had a probability of 99 % of being cost-effective, relative to SC, at the willingness to pay threshold defined in Mexico. LIMITATIONS: Health-related quality of life values were not included in the analysis and therefore we did not estimate the quality-adjusted life-years gained. CONCLUSIONS: Blinatumomab was associated with greater benefit in terms of OS and EFS relative to SC. Probabilistic, deterministic, and scenario analyses indicate that blinatumomab represents the best value for money. Therefore, blinatumomab administered as part of consolidation therapy in B-ALL pediatric patients with high-risk first relapse is a cost-effective option.

Strategies to promote contraception use by female volunteers in Alzheimer's Prevention Initiative Autosomal-Dominant Alzheimer's Disease (API ADAD) Colombia trial.

BACKGROUND/AIMS: Including women of childbearing age in a clinical trial makes it necessary to consider two factors from a bioethical perspective: first, the lack of knowledge about the potential teratogenic effects of an investigational product, and also, the principle of justice not to exclude any population from the benefits of research. The most common way to address this issue is by requiring volunteers to use contraceptives before, during, and a few weeks after the clinical trial. This work presents all the strategies used to promote contraception use and prevent pregnancy during the Alzheimer's Prevention Initiative Autosomal-Dominant Alzheimer's Disease (API ADAD) Colombia clinical trial. Two characteristics of this trial make it of special interest for closely monitoring contraception use. One is that the trial lasted more than 7 years, and the other is that participants could be carriers of the E280A PSEN1 mutation, leading to a mild cognitive impairment as early as their late 30s. METHODS: An individual medical evaluation to select the contraception method that best fits the volunteer was carried out during the screening visit, remitting to the gynecologist when necessary. All non-surgical contraception methods were supplied by the sponsor. Staff were trained on contraception counseling, correctly dispensing contraceptive drugs to volunteers, and identifying, reporting, and following up on pregnancies. Two comprehensive educational campaigns on contraception use were performed, and the intervention included all volunteers. In addition, volunteers were asked on an annual survey to evaluate the dispensing procedure. Finally, the effectiveness of these strategies was retrospectively evaluated, comparing by extrapolation the number of pregnancies presented throughout the trial with the General Fertility Rate in Colombia. RESULTS: A total of 159 female volunteers were recruited. All strategies were implemented as planned, even during the COVID-19 contingency. Ten pregnancies occurred during the evaluation period (2015-2021). Two were planned; the rest were associated with a potential therapeutic failure or incorrect use of contraceptive methods for a contraceptive failure of 0.49% per year. Sixty percent of pregnancies led to an abortion, either miscarriage or therapeutic abortion. However, there was not enough data to associate the pregnancy outcome with the administration of the investigational product. Finally, we observed a lower fertility rate in women participating in the trial compared to the Colombian population. CONCLUSION: The lower rates of contraceptive failure and the decrease in the incidence of pregnancies in women participating in the trial compared to the Colombian population across the 7 years of evaluation suggest that the strategies used in API ADAD Colombia were adequate and effective in addressing contraception use.

Reproductive Biology and Rearing Improvements of Apanteles opuntiarum, Potential Biocontrol Agent of the Argentine Cactus Moth, Cactoblastis cactorum.

The cactus moth, Cactoblastis cactorum (Berg) (Lepidoptera: Pyralidae) is native to South America and has been used as a biocontrol agent of Opuntia (Cactaceae) in Australia and South Africa. Its invasion in North America has raised concerns for the native Opuntia in the USA and Mexico. We investigated the reproductive biology and rearing procedures of a host-specific potential biocontrol agent, Apanteles opuntiarum Martínez and Berta (Hymenoptera: Braconidae). Given the gregarious nature of the parasitoid larvae, we studied the morphology of the immature stages and evaluated evidence of polyembryony and superparasitism. We also investigated the effects of host exposure arena and host density on parasitism rates and wasp production. The morphological descriptions provide a basis for comparison with other species. Early larval instars of A. opuntiarum are similar to other microgastrine immature stages. However, the mature larva exhibits placoid sensilla in the epistomal region, a unique character not previously reported. We provide evidence that A. opuntiarum eggs are not polyembryonic; females frequently superparasitize and have an oviposition preference for larvae parasitized 1-2 d previously. Exposing larvae of C. cactorum to wasps while inside the cactus resulted in lower parasitism and fewer offspring from each host than exposing larvae in the arena without the cactus. Parasitism and mortality rates were higher at lower host densities, possibly due to reduced host group defensive behavior. These results suggest that preference for superparasitism, host defensive behavior, and interactions with the cactus may play an important role in per-host wasp production under laboratory conditions.

Drug-Coated Balloon Angioplasty vs Plain Balloon Angioplasty in patients with coronary In-Stent Restenosis: A systematic review and meta-analysis of randomized controlled trials.

BACKGROUND: In-stent restenosis (ISR) remains a significant challenge in interventional cardiology despite advancements in stent technology. Drug-coated balloons (DCBs), which deliver antiproliferative agents directly to the vessel wall, have emerged as a promising alternative to plain balloon angioplasty for ISR treatment. This meta-analysis evaluates the efficacy of DCBs compared to plain balloon angioplasty in patients with coronary ISR. METHODS: A comprehensive search of PubMed and Embase was conducted on June 27, 2024. The search identified randomized controlled trials comparing DCBs and plain balloon angioplasty for ISR treatment. Six trials involving 1,322 patients met the inclusion criteria. Quality was assessed with the Cochrane Risk of Bias tool. Data extraction and statistical analysis were performed using RevMan software, assessing heterogeneity with the I2 statistic and publication bias using funnel plots. RESULTS: The analysis showed that DCBs significantly reduced late in-stent and in-segment luminal loss (P < 0.001) and target lesion revascularization (P = 0.02) compared to plain balloon angioplasty. Major adverse cardiovascular events and the combined endpoint of target lesion revascularization, myocardial infarction, and death also showed highly significant improvements with DCB treatment (P < 0.00001 and P = 0.0002, respectively). However, no significant effect was observed on myocardial infarction and mortality rates. CONCLUSION: DCBs significantly reduce in-stent late luminal loss, target lesion revascularization, and major adverse cardiovascular events compared to plain balloon angioplasty.

Prediction of Deleterious Single Amino Acid Polymorphisms with a Consensus Holdout Sampler.

Background: Single Amino Acid Polymorphisms (SAPs) or nonsynonymous Single Nucleotide Variants (nsSNVs) are the most common genetic variations. They result from missense mutations where a single base pair substitution changes the genetic code in such a way that the triplet of bases (codon) at a given position is coding a different amino acid. Since genetic mutations sometimes cause genetic diseases, it is important to comprehend and foresee which variations are harmful and which ones are neutral (not causing changes in the phenotype). This can be posed as a classification problem. Methods: Computational methods using machine intelligence are gradually replacing repetitive and exceedingly overpriced mutagenic tests. By and large, uneven quality, deficiencies, and irregularities of nsSNVs datasets debase the convenience of artificial intelligence-based methods. Subsequently, strong and more exact approaches are needed to address these problems. In the present work paper, we show a consensus classifier built on the holdout sampler, which appears strong and precise and outflanks all other popular methods. Results: We produced 100 holdouts to test the structures and diverse classification variables of diverse classifiers during the training phase. The finest performing holdouts were chosen to develop a consensus classifier and tested using a k-fold (1 ≤ k ≤5) cross-validation method. We also examined which protein properties have the biggest impact on the precise prediction of the effects of nsSNVs. Conclusion: Our Consensus Holdout Sampler outflanks other popular algorithms, and gives excellent results, highly accurate with low standard deviation. The advantage of our method emerges from using a tree of holdouts, where diverse LM/AI-based programs are sampled in diverse ways.

Femtosecond Core-Level Spectroscopy Reveals Involvement of Triplet States in the Gas-Phase Photodissociation of Fe(CO)5.

Excitation of iron pentacarbonyl [Fe(CO)5], a prototypical photocatalyst, at 266 nm causes the sequential loss of two CO ligands in the gas phase, creating catalytically active, unsaturated iron carbonyls. Despite numerous studies, major aspects of its ultrafast photochemistry remain unresolved because the early excited-state dynamics have so far eluded spectroscopic observation. This has led to the long-held assumption that ultrafast dissociation of gas-phase Fe(CO)5 proceeds exclusively on the singlet manifold. Herein, we present a combined experimental-theoretical study employing ultrafast extreme ultraviolet transient absorption spectroscopy near the Fe M2,3-edge, which features spectral evolution on 100 fs and 3 ps time scales, alongside high-level electronic structure theory, which enables characterization of the molecular geometries and electronic states involved in the ultrafast photodissociation of Fe(CO)5. We assign the 100 fs evolution to spectroscopic signatures associated with intertwined structural and electronic dynamics on the singlet metal-centered states during the first CO loss and the 3 ps evolution to the competing dissociation of Fe(CO)4 along the lowest singlet and triplet surfaces to form Fe(CO)3. Calculations of transient spectra in both singlet and triplet states as well as spin-orbit coupling constants along key structural pathways provide evidence for intersystem crossing to the triplet ground state of Fe(CO)4. Thus, our work presents the first spectroscopic detection of transient excited states during ultrafast photodissociation of gas-phase Fe(CO)5 and challenges the long-standing assumption that triplet states do not play a role in the ultrafast dynamics.

Experience of a centre of excellence in hip fractures of the elderly in Colombia: influence of time-to-surgery on inpatient mortality and complications.

PURPOSE: To analyse the time-to-surgery of a centre of excellence in hip fractures of the elderly and its influence on inpatient mortality and postoperative complications. METHODS: A cross-sectional cohort study was conducted. The sample universe consisted of 4,364 patients admitted to a university clinic in Chía, Colombia during the year 2018 to 2023 with ICD-10 diagnoses corresponding to femur fractures. After eliminating duplicates and application of inclusion and exclusion criteria, the final sample included was 269 patients. Qualitative and quantitative variables were analysed, such as: sex, age, age group, type of fracture, type of surgical procedure, time-to-surgery, time to discharge, inpatient mortality and postoperative complications. RESULTS: The mean time-to-surgery from admission was 70.16 h or 2.92 days (IQR 37-87). Patients were divided into three subgroups of time in which they were taken to surgery: <24 h (11.89%), 24-48 h (33.82%) and > 48 h (54.27%). The overall mortality rate was 1.85% for a total of five deceased patients, two of whom belonged to the 24-48-hour group and three to the > 48 h group. Higher rates of postoperative complications were observed in the > 48-hours group (n: 39, 14.49%), followed by the 24-48-hour group (n: 25, 9.29%) and the < 24-hour group (n: 7, 2.6%). CONCLUSIONS: Patients operated for a hip fracture in > 48 h since admission had a slightly higher rate of postoperative complications. No significant difference was observed regarding inpatient mortality when compared to the 24-48-hour group.

Infective Endocarditis in Patients With Bicuspid Aortic Valves: Unique Clinical and Microbiologic Features.

OBJECTIVE: Patients with bicuspid aortic valves (BAV) are at increased risk of infective endocarditis (IE). Information of the clinical presentation and the microbiology of BAV-associated IE, however, is limited. Therefore, our study aimed to characterise the clinical features native valve endocarditis (NVE) in the setting of BAV and compared them to patients with prosthetic valve endocarditis (PVE) following BAV replacement. METHODS: Adult patients with BAV or history of BAV with aortic valve replacement (AVR) and a definite or possible IE diagnosis within the Mayo Clinic Enterprise (USA) from January 2008 to December 2021, were included. BAV was confirmed by trans-oesophageal echocardiography. IE was defined according to the modified Duke criteria and only an initial episode was included. Statistical analyses were performed to compare clinical characteristics, microbiology, and IE complications. RESULTS: Overall, 161 patients with BAV and IE (NVE [n=60], 37.3%) and PVE [n=101, 62.7%) were included. Mean age±SD was 56.5±16.1 years, and 139 (86.3%) patients were males. PVE patients were older (p<0.01) and had a higher rate of hypertension (p<0.01), chronic heart failure (p<0.01), chronic kidney disease (p<0.01), and perivalvular abscess (p<0.01). BAV patients with NVE had a higher prevalence of isolated mitral valve IE (p<0.01), moderate to severe aortic valve regurgitation (p<0.01) and combined aortic with mitral valve IE (p<0.01). Streptococcus mitis was the most common pathogen in NVE (30.0%) while Staphylococcus aureus was the most common in PVE (15.8%). CONCLUSIONS: Patients with BAV are at risk of both NVE and PVE. Each syndrome has unique clinical features, including microbiologic findings, that should be appreciated in IE diagnosis and management.

Development of QSARs for cysteine-containing di- and tripeptides with antioxidant activity:influence of the cysteine position.

Antioxidants agents play an essential role in the food industry for improving the oxidative stability of food products. In the last years, the search for new natural antioxidants has increased due to the potential high toxicity of chemical additives. Therefore, the synthesis and evaluation of the antioxidant activity in peptides is a field of current research. In this study, we performed a Quantitative Structure Activity Relationship analysis (QSAR) of cysteine-containing 19 dipeptides and 19 tripeptides. The main objective is to bring information on the relationship between the structure of peptides and their antioxidant activity. For this purpose, 1D and 2D molecular descriptors were calculated using the PaDEL software, which provides information about the structure, shape, size, charge, polarity, solubility and other aspects of the compounds. Different QSAR model for di- and tripeptides were developed. The statistic parameters for di-peptides model (R2train = 0.947 and R2test = 0.804) and for tripeptide models (R2train = 0.923 and R2test = 0.847) indicate that the generated models have high predictive capacity. Then, the influence of the cysteine position was analyzed predicting the antioxidant activity for new di- and tripeptides, and comparing them with glutathione. In dipeptides, excepting SC, TC and VC, the activity increases when cysteine is at the N-terminal position. For tripeptides, we observed a notable increase in activity when cysteine is placed in the N-terminal position.

Advancing groundwater quality predictions: Machine learning challenges and solutions.

Machine learning (ML) is revolutionizing groundwater quality research by enhancing predictive accuracy and management strategies for contamination. This comprehensive review explores the evolution of ML technologies and their integration into environmental science, assessing 230 papers to understand the advancements and challenges in groundwater quality research. It reveals that a substantial portion of the research neglects critical preprocessing steps, crucial for model accuracy, with 83 % of the studies overlooking this phase. Furthermore, while model optimization is more commonly addressed, being implemented in 65 % of the papers, there is a noticeable gap in model interpretability, with only 15 % of the research providing explanations for model outcomes. Comparative evaluation of ML algorithms and careful selection of evaluation metrics are deemed essential for determining model fitness and reliability. The review underscores the need for interdisciplinary collaboration, methodological rigor, and continuous innovation to advance ML in groundwater management. By addressing these challenges and implementing solutions, the full potential of ML can be harnessed to tackle complex environmental issues and ensure sustainable groundwater management. This comprehensive and critical review paper can serve as a guiding framework to establish minimum standards for developing ML in groundwater quality studies.