Miracle-dz/UniFAR-FTUs huggingface dataset:
Application of Mathematical Modeling and Computational Tools in the Modern Drug Design and Development Process

The conventional drug discovery approach is an expensive and time-consuming process, but its limitations have been overcome with the help of mathematical modeling and computational drug design approaches. Previously, finding a small molecular candidate as a drug against a disease was very costly and required a long time to screen a compound against a specific target. The development of novel targets and small molecular candidates against different diseases including emerging and reemerging diseases remains a major concern and necessitates the development of novel therapeutic targets as well as drug candidates as early as possible. In this regard, computational and mathematical modeling approaches for drug development are advantageous due to their fastest predictive ability and cost-effectiveness features. Computer-aided drug design (CADD) techniques utilize different computer programs as well as mathematics formulas to comprehend the interaction of a target and drugs. Traditional methods to determine small-molecule candidates as a drug have several limitations, but CADD utilizes novel methods that require little time and accurately predict a compound against a specific disease with minimal cost. Therefore, this review aims to provide a brief insight into the mathematical modeling and computational approaches for identifying a novel target and small molecular candidates for curing a specific disease. The comprehensive review mainly focuses on biological target prediction, structure-based and ligand-based drug design methods, molecular docking, virtual screening, pharmacophore modeling, quantitative structure–activity relationship (QSAR) models, molecular dynamics simulation, and MM-GBSA/MM-PBSA approaches along with valuable database resources and tools for identifying novel targets and therapeutics against a disease. This review will help researchers in a way that may open the road for the development of effective drugs and preventative measures against a disease in the future as early as possible.
Analysis Of Factors That Affect the Implementation Of Triage On Satisfaction Of Patients Family

Background: Error giving priority colors significantly affects patients' actions, speed, and family satisfaction. The problem of labeling colors that should be red to yellow labels will hinder patients from being treated. Errors in sorting emergency patients can be fatal to the speed and accuracy of medical and nursing interventions provided. This study aimed to determine the relationship between the accuracy of triage and the patient's family satisfaction in the Emergency Department. Methods: The design used in this study is Cross-Sectional. The population was all patients' families in the Emergency Department, with a total of 1122. The sample size was 113 respondents using the accidental sampling technique. The independent variable of research is the Accuracy of Triage Implementation. The dependent variable is Satisfaction. Data were collected using a questionnaire, then analyzed using the rho spearmint test with a significance level of α ≤ 0.05. Results: The results showed that nearly half of the respondents had an appropriate triage accuracy of 87 respondents (77%), and respondents had sufficient Satisfaction, as many as 50 respondents (44.2%). The statistical test in this study used the Spearmen's rho test with a <0.05 obtained p = 0,000 where H1 was accepted and H0 was rejected, which means there was a relationship between triage accuracy to the Family Satisfaction of Patients in the Emergency Department. Conclusion: The accuracy of triage towards family satisfaction of patients is essential to be improved to reduce errors and improve the quality of services. nurses can identify satisfaction factors in the ED
A Review of GNSS/GPS in Hydrogeodesy: Hydrologic Loading Applications and Their Implications for Water Resource Research

Hydrogeodesy, a relatively new field within the earth sciences, is the analysis of the distribution and movement of terrestrial water at Earth's surface using measurements of Earth's shape, orientation, and gravitational field. In this paper, we review the current state of hydrogeodesy with a specific focus on Global Navigation Satellite System (GNSS)/Global Positioning System measurements of hydrologic loading. As water cycles through the hydrosphere, GNSS stations anchored to Earth's crust measure the associated movement of the land surface under the weight of changing hydrologic loads. Recent advances in GNSS‐based hydrogeodesy have led to exciting applications of hydrologic loading and subsequent terrestrial water storage (TWS) estimates. We describe how GNSS position time series respond to climatic drivers, can be used to estimate TWS across temporal scales, and can improve drought characterization. We aim to facilitate hydrologists' use of GNSS‐observed surface deformation as an emerging tool for investigating and quantifying water resources, propose methods to further strengthen collaborative research and exchange between geodesists and hydrologists, and offer ideas about pressing questions in hydrology that GNSS may help to answer.
Norma Oficial Mexicana 035, Factores de riesgo psicosocial en el trabajo: validación del dominio relaciones en el trabajo

El objetivo de este trabajo fue validar la confiabilidad y validez estadística de la NOM-035-STPS-2018, en específico del dominio Relaciones en el trabajo. Metodológicamente, se aplicó la Guía de Referencia III para recopilar datos mediante un muestreo no probabilístico en tres compañías automotrices de Ciudad Juárez, México. En total, 250 supervisores respondieron el instrumento. En primer lugar, se verificó la confiabilidad mediante el alfa de Cronbach y alfa ordinal. Posteriormente se realizó la prueba de Kaiser-Meyer-Olkin (KMO) y Bartlett. Entre los resultados, el dominio Relaciones en el trabajo obtuvo un alfa de Cronbach de 0.913, mientras que las dimensiones “Relaciones sociales en el trabajo” y “Deficiente relación con los colaboradores que supervisa” obtuvieron valores de este indicador de 0.879 y 0.975, respectivamente. Por otro lado, el alfa ordinal obtuvo valores superiores a 0.90 en las dos dimensiones. El KMO obtenido fue de 0.838 y la prueba de Bartlett resultó ser significativa (p = 0.000). En consecuencia, el análisis factorial exploratorio extrajo los dos factores propuestos por la norma. Dichos factores contribuyen a 79.11 % de la varianza acumulada. El análisis factorial confirmatorio mostró un buen ajuste del modelo. En conclusión, el instrumento y las dimensiones propuestas pueden ser utilizados como herramienta de evaluación para medir el factor psicosocial Relaciones en el trabajo (dominio de la NOM-035), ya que muestran valores aceptables en términos de confiabilidad estadística.
Effect of doxycycline and doxycycline with carica papaya on thrombocytopenia and leucopenia in acute dengue fever patients

Background: Dengue fever is a mosquito borne disease commonly manifest leucopoenia and thrombocytopenia. Dengue fever and its complications like bleeding manifestation can be life threatening. This study was conducted to study the effect of doxycycline and doxycycline with carica papaya on thrombocytopenia and leucopoenia in acute dengue fever patients. Methods: This case control study was conducted amongst the patients suffering from dengue fever with thrombocytopenia. Cases were dengue patients with thrombocytopenia and leucopenia both. Controls were dengue patients with thrombocytopenia with normal leukocyte count. An effect of doxycycline and doxycycline with carica papaya was observed on platelet and leukocyte counts at baseline and first, second, fourth, and seventh day in cases and comparison was done. Results: The maximum improvement in mean platelet count and leukocyte count was observed in doxycycline with carica papaya group followed by doxycycline alone group followed by controls (conservative treatment) in decreasing order on day 4th and 7th day of admission. Reduced hospital stay was also in the same order. Conclusion: The study results indicate that doxycycline and carica papaya are useful modality to improve leucopenia and thrombocytopenia in dengue patients and to minimize hospital stay.
Design and Research of Wireless Passive High-Temperature Sensor Based on SIW Resonance

The temperature of advanced components in aviation and aerospace fields is difficult to obtain timely. In this study, we aimed to investigate microwave backscattering technology combined with the theory of substrate integrated waveguide and resonant cavity to design a wireless passive temperature sensor and explore its potential in this field. We employed silicon carbide and aluminum ceramic as the substrate to make sensors. The interrogation antenna was designed to test the sensor, which could completely cover the working frequency of the sensor and had good radiation characteristics. Based on the test results, the silicon carbide sensor was capable of bearing a temperature limit of about 1000 °C compared to the alumina sensor. From 25 °C to 500 °C, its sensitivity was 73.68 kHz/°C. Furthermore, the sensitivity was 440 kHz/°C in the range of 501 °C to 1000 °C. Moreover, we observed the surface of this sensor by using the scanning electron microscope, and the results showed that the damage to the sensor surface film structure caused by long-term high temperature is the major reason for the failure of the sensor. In conclusion, the performance of the silicon carbide sensor is superior to the alumina sensor.
Relay Selection and Resource Allocation in Cooperative Wireless Communication Networks

Cooperative communication is a technique to use nodes in the wireless network as relays to forward information to the destination. Cooperative communication technique relies on the relay selection and power allocation process to optimize its performance since not all available nodes are beneficial to use for forwarding. Game theory is a branch of mathematics theory which tries to model the behavior of a player in strategic situation, or games, when dealing with other players’ choices. In the cooperative communication networks, the game theoretical approach has been shown to be a good means to solve the relay selection and resource allocation problems which have multiple objectives. In this thesis we analyze the relay selection and resource allocation using pricing game in a cooperative wireless communication network with interference. Using simulation results we show that interference affects the relay selection and resource allocation process. From the relay selection result we also find that the number of selected relay nodes influences the optimization process and when the number of selected nodes is large, the source node significantly suffers from payment to relay nodes. We propose an algorithm to limit the number of selected relay nodes and to keep the benefit of the source node. We also propose an evolutionary game approach for resource allocation in cooperative wireless networks. The method has flexibility in optimizing the system based on preferred objectives. The evolutionary game approach is based on evolutionary programming, where the behavior of each node is modeled to mimic the biological evolution process. Results of this study can be used in a wide range of wireless sensor networks where power, bandwidth, and other resource constraints are present. The proposed scheme provides a flexible relay node selection given the resource constraints of the wireless network.
Fluopyram: Optimal Application Time Point and Planting Hole Treatment to Control Meloidogyne incognita

Research into new nematicides that provide adequate control against root-knot nematodes in a more environment-friendly way is of great interest to vegetable growers. Thus, the effect of fluopyram, a relatively new chemical nematicide, was evaluated against a Swiss population of Meloidogyne incognita in vitro, in soil and as a planting hole treatment for tomato, lettuce and cucumber plants. Fluopyram treatment in vitro revealed LC50 (lethal concentration, 50%) ranging from 2.15–0.04 µmol of fluopyram/L after 1–14 days of exposure. However, some nematodes (visually categorized as dead) were able to recover and infect cucumber plants. Fluopyram’s optimal application time appeared to be up to 1 day after planting, with a significant control effect on M. incognita up to 14 days after planting. A root penetration assay showed that only nematodes that remained in the rhizosphere were controlled by fluopyram. Furthermore, fluopyram planting hole treatments on lettuce, tomato and cucumber plants, successfully controlled M. incognita in the root zone under greenhouse conditions. Overall, this study contributes to an optimized application of fluopyram for the control of M. incognita in vegetable crops, highlighting its effectiveness in soil and showing its limitation to control juveniles that have already invaded the root systems of plants.
Social engagement and its links to cognition differ across non-Hispanic Black and White older adults.

OBJECTIVE Racial inequalities in dementia have been linked to disparities in socioeconomic status, chronic diseases, and psychosocial stress. Less focus has been given to psychosocial protective factors. Previous studies suggest that social engagement promotes better cognitive aging, but few have examined whether social engagement or its associations with cognition vary across non-Hispanic Whites (NHW) and Blacks (NHB). METHOD Participants included 465 adults (53% NHB) from the Michigan Cognitive Aging Project (Mage = 63.59 ± 3.15) who completed a comprehensive neuropsychological battery. Social engagement was operationalized as network size, frequency of social activity participation, and social support. Cognition was operationalized using factor scores corresponding to five domains: episodic memory, executive functioning, processing speed, language, and visuospatial functioning. Cross-sectional associations between social engagement and cognitive outcomes were examined using race-stratified regressions controlling for age, sex/gender, education, wealth, marital status, depressive symptoms, and chronic diseases. RESULTS There were no racial differences in social network size or social support. NHB participants reported less social activity participation than NHW participants. Social activity participation was positively associated with memory in NHW, but not NHB. CONCLUSIONS These findings may suggest a threshold effect whereby NHB older adults are less likely to participate in social activities at the level needed to yield cognitive benefits. Lower social activity participation among NHB may reflect structural barriers and/or cultural differences in patterns of social engagement. This study highlights the need to improve measurement of and access to culturally relevant social activities for NHB to combat racial inequalities in cognitive aging. (PsycInfo Database Record (c) 2022 APA, all rights reserved).
Designed for Delight: Surprising Visual-Tactile Experiences Using 3D Printing in Lighting Design

Designing for surprise is a useful tool for designers and can elevate a product from mundane to memorable, drawing attention and inviting engagement. Existing strategies have explored surprise in product design through the exploration of sensory incongrui - ties, most notably visual-tactile incongruities: when an object looks different to what it feels like to touch. There are two digital technologies that offer new opportunities to investigate surprise in tangible-embedded interactive systems: 3D printing and tangible interaction through sensor controls. Research is yet to investigate how visually tactually incongruous 3D printing can offer new strategies for eliciting surprise in lighting design through tangible-embedded interactive systems. This research addresses this identi - fied gap by assessing the applicability of the Ludden’s strategies to surprise through 3D printing. This was performed through the design of a series of experimental 3D printed objects and lights that sought to surprise by using visual-tactile incongruities. We suggest new approaches expressed through the final designs of four interactive lights; objects designed to inspire delight through their unique interactions and surprising qualities. We report on new strategies to surprise by using an experiential gap between vision and touch through 3D printing and we report the findings from user-testing sessions.
BLAST (Bowman Layer Anterior Stroma Transplantation): A Case Report of a Novel Technique for Corneal Transplantation in Keratoconus

Objective: To present the outcome of a patient who underwent a novel surgical technique for keratoconus (BLAST - Bowman Layer Anterior Stroma Transplantation) and confirm its efficiency, acceptability, and validity as a future treatment option. Participant: 50-year-old male with severe keratoconus. Methods and Procedure: The patient underwent the BLAST procedure described in this article to treat his condition, with a follow-up at 1 week, 9 months, and 1-year post-op. Results: Measurements include Keratometry Maximal (K Max), Best Corrected Visual Acuity (BCVA), as well as Uncorrected Visual Acuity (UCVA) and pachymetry using the Pentacam at each follow-up. The BCVA showed drastic improvements, from 20/200 with pinhole pre-op to 20/50 post-op with a scleral contact lens. The thinnest pachymetry values also demonstrated a significant increase, going from 410 mm pre-op to 633 mm post-op. Discussion and Conclusion: The BLAST intervention provides a new treatment option that shows marked improvements in all parameters measured in follow-up, with a significant increase in the patient's visual acuity. Post-operative K Max, BCVA, UCVA, and pachymetry all improved in comparison to their pre-operative values, showing that this is a viable and noteworthy future treatment option for patients with moderate-to-severe keratoconus.
Obliviate! Reviewing Neural Fundamentals of Intentional Forgetting from a Meta-Analytic Perspective

Intentional forgetting (IF) is an important adaptive mechanism necessary for correct memory functioning, optimal psychological wellbeing, and appropriate daily performance. Due to its complexity, the neuropsychological processes that give birth to successful intentional forgetting are not yet clearly known. In this study, we used two different meta-analytic algorithms, Activation Likelihood Estimation (ALE) & Latent Dirichlet Allocation (LDA) to quantitatively assess the neural correlates of IF and to evaluate the degree of compatibility between the proposed neurobiological models and the existing brain imaging data. We found that IF involves the interaction of two networks, the main “core regions” consisting of a primarily right-lateralized frontal-parietal circuit that is activated irrespective of the paradigm used and sample characteristics and a second less constrained “supportive network” that involves frontal-hippocampal interactions when IF takes place. Additionally, our results support the validity of the inhibitory or thought suppression hypothesis. The presence of a neural signature of IF that is stable regardless of experimental paradigms is a promising finding that may open new venues for the development of effective clinical interventions.
Mortality Prediction in Sepsis With an Immune-Related Transcriptomics Signature: A Multi-Cohort Analysis

Background Novel biomarkers are needed to progress toward individualized patient care in sepsis. The immune profiling panel (IPP) prototype has been designed as a fully-automated multiplex tool measuring expression levels of 26 genes in sepsis patients to explore immune functions, determine sepsis endotypes and guide personalized clinical management. The performance of the IPP gene set to predict 30-day mortality has not been extensively characterized in heterogeneous cohorts of sepsis patients. Methods Publicly available microarray data of sepsis patients with widely variable demographics, clinical characteristics and ethnical background were co-normalized, and the performance of the IPP gene set to predict 30-day mortality was assessed using a combination of machine learning algorithms. Results We collected data from 1,801 arrays sampled on sepsis patients and 598 sampled on controls in 17 studies. When gene expression was assayed at day 1 following admission (1,437 arrays sampled on sepsis patients, of whom 1,161 were alive and 276 (19.2%) were dead at day 30), the IPP gene set showed good performance to predict 30-day mortality, with an area under the receiving operating characteristics curve (AUROC) of 0.710 (CI 0.652–0.768). Importantly, there was no statistically significant improvement in predictive performance when training the same models with all genes common to the 17 microarray studies (n = 7,122 genes), with an AUROC = 0.755 (CI 0.697–0.813, p = 0.286). In patients with gene expression data sampled at day 3 following admission or later, the IPP gene set had higher performance, with an AUROC = 0.804 (CI 0.643–0.964), while the total gene pool had an AUROC = 0.787 (CI 0.610–0.965, p = 0.811). Conclusion Using pooled publicly-available gene expression data from multiple cohorts, we showed that the IPP gene set, an immune-related transcriptomics signature conveys relevant information to predict 30-day mortality when sampled at day 1 following admission. Our data also suggests that higher predictive performance could be obtained when assaying gene expression at later time points during the course of sepsis. Prospective studies are needed to confirm these findings using the IPP gene set on its dedicated measurement platform.
Neutrophil-to-Lymphocyte Ratio as an Indicator of Opioid-Induced Immunosuppression After Thoracoscopic Surgery: A Randomized Controlled Trial

Purpose The neutrophil-to-lymphocyte ratio (NLR) is a useful prognostic marker for various diseases and surgery-induced immunosuppression. While opioids are important in general anesthesia, the association between immediate perioperative immune monitoring and opioid consumption for postoperative analgesia after video-assisted thoracoscopic surgery (VATS) is unknown. We aimed to investigate the effect of analgesic techniques on opioid-induced immune perturbation, and the feasibility of NLR as an indicator of opioid-induced immune changes. Patients and Methods Patients were randomly assigned to two groups: Group P (n=40) or Group C (n=40). Patients in group P received ultrasound-guided paravertebral block (PVB) before surgery, and followed by sufentanil patient-controlled intravenous analgesia (PCIA) after surgery, and group C received sufentanil PCIA only. The total and differential white blood cell counts, including CD4+ T lymphocyte counts, CD8+ T lymphocyte were recorded before surgery and at 24 and 72 hours after surgery. NLR was determined using the frequencies of lymphocyte subpopulations. The cumulative dose of sufentanil were recorded at 24 and 24h after surgery while the 40-item quality of recovery questionnaire (QoR-40) score were assessed at 48h after the surgery. Results At 24 and 48 hours after surgery, a lower sufentanil consumption, and higher QoR-40 recovery scores were found in group P than in group C (P<0.05). In biochemical analyses, the values of NLR were lower in group P compared to group C (p<0.0001) and ratio of CD4/CD8 were higher in group P compared to group C (p<0.05) on day three after surgery. NLR showed excellent predictive capability for immunosuppression, with an area under the curve (AUC) of 0.92 [95% confidence interval (CI), 0.86–0.98, P < 0.0001]. Conclusion Opioid-sparing pain management strategies may affect postoperative immunosuppression and NLR could be a reliable indicator of opioid-related immunosuppression. Moreover, opioid-sparing pain management strategies could improve patient’s satisfaction in VATS.