Tag: nevin manimala

J Chem Inf Model. 2025 Jan 28. doi: 10.1021/acs.jcim.4c02088. Online ahead of print.

ABSTRACT

Identification of potential drug-target interactions (DTIs) is a crucial step in drug discovery and repurposing. Although deep learning effectively deciphers DTIs, most deep learning-based methods represent drug features from only a single perspective. Moreover, the fusion method of drug and protein features needs further refinement. To address the above two problems, in this study, we develop a novel end-to-end framework named DO-GMA for potential DTI identification by incorporating Depthwise Overparameterized convolutional neural network and the Gated Multihead Attention mechanism with shared-learned queries and bilinear model concatenation. DO-GMA first designs a depthwise overparameterized convolutional neural network to learn drug representations from their SMILES strings and protein representations from their amino acid sequences. Next, it extracts drug representations from their 2D molecular graphs through a graph convolutional network. Subsequently, it fuses drug and protein features by combining the gated attention mechanism and the multihead attention mechanism with shared-learned queries and bilinear model concatenation. Finally, it takes the fused drug-target features as inputs and builds a multilayer perceptron to classify unlabeled drug-target pairs (DTPs). DO-GMA was benchmarked against six newest DTI prediction methods (CPI-GNN, BACPI, CPGL, DrugBAN, BINDTI, and FOTF-CPI) under four different experimental settings on four DTI data sets (i.e., DrugBank, BioSNAP, C.elegans, and BindingDB). The results show that DO-GMA significantly outperformed the above six methods based on AUC, AUPR, accuracy, F1-score, and MCC. An ablation study, robust statistical analysis, sensitivity analysis of parameters, visualization of the fused features, computational cost analysis, and case analysis further validated the powerful DTI identification performance of DO-GMA. In addition, DO-GMA predicted that two drug-protein pairs (i.e., DB00568 and P06276, and DB09118 and Q9UQD0) could be interacting. DO-GMA is freely available at https://github.com/plhhnu/DO-GMA.

PMID:39874533 | DOI:10.1021/acs.jcim.4c02088

J Strength Cond Res. 2025 Feb 1;39(2):249-259. doi: 10.1519/JSC.0000000000004995.

ABSTRACT

Riboli, A, Nardi, F, Osti, M, Cefis, M, Tesoro, G, and Mazzoni, S. Training load, official match locomotor demand, and their association in top-class soccer players during a full competitive season. J Strength Cond Res 39(2): 249-259, 2025-To examine training load and official match locomotor demands of top-class soccer players during a full competitive season and to evaluate their association. Twenty-five top-class soccer players competing in UEFA international competitions were included. The season was divided into 2 different categories: 2 matches (M2) or 3 matches (M3) in 8 days. Starters and nonstarters were classified. Total distance (TD), high-speed running (HSR, 15-20 km·h-1), very high-speed running (VHSR, 20.1-24 km·h-1), sprint (SPR, >24.1 km·h-1), and accelerations/decelerations (Acc + Dec, >3 m·s2) were recorded. Trivial to moderate differences (p < 0.05) in training load between M2 and M3 were found: HSR, VHSR, and SPR were higher in M2 than M3, whereas TD and Acc + Dec were higher in M3 than M2. Week-by-week variability in training load ranged from ∼16 to ∼59% depending on metrics. Official match locomotor demands were similar (p > 0.05) in M2 and M3 with ∼5 to ∼29% match-to-match variability depending on metrics. Total load (i.e., training plus match loads) was higher (p < 0.05, ES: 0.75/1.61) in starters than nonstarters, because of a higher match load and no difference in the training load. Very high-speed running and SPR accumulated during training sessions were largely to very largely (r = 0.60 to 0.72) associated with TD, HSR, VHSR, and Acc + Dec covered during official match; VHSR and TD during training were largely to very largely (r = 0.57 and 0.71) associated with SPR and Acc + Dec during official match. In conclusion, (a) congested periods seemed to not affect official match locomotor performance; (b) practitioners may consider high week-by-week workload variability for individualizing training prescriptions, especially for nonstarters; and (c) the VHSR and SPR accumulated during training were associated with the official match locomotor demands, and it may be considered for maximizing performance.

PMID:39874527 | DOI:10.1519/JSC.0000000000004995

J Nurs Res. 2025 Feb 1;33(1):e374. doi: 10.1097/jnr.0000000000000657.

ABSTRACT

BACKGROUND: Menstruation is a physiological process that may be accompanied by pain, headache, edema, emotional changes, and other symptoms, all of which affect quality of life. Although the results of some studies indicate lifestyle habits can affect the menstrual cycle and associated symptoms, few have investigated this issue, and even fewer have explored the impact of these symptoms on quality of life, in Spanish women.

PURPOSE: The objectives of this study were to determine the prevalence of dysmenorrhea and premenstrual syndrome (PMS) among students at a Spanish university, assess the impact of these conditions on quality of life, and analyze the relationship among lifestyle habits, dysmenorrhea, and PMS.

METHODS: A cross-sectional study was carried out on 743 women enrolled at the University of Extremadura in the 2021-2022 academic year. Data related to the menstrual cycle, pain, and PMS-related physical and emotional symptoms were collected. Quality of life related to menstruation was evaluated using the CVM-22 scale. Lifestyle data collected included adherence to a Mediterranean diet (PREDIMED [Prevención con Dieta Mediterránea] questionnaire), level of physical activity (International Physical Activity Questionnaire), and alcohol and tobacco consumption (Alcohol, Smoking, and Substance Involvement Screening Test Version 3). Also, other clinical data were recorded.

RESULTS: In terms of the sample, the median age was 21 (19-23) years, the prevalence of dysmenorrhea was 57.9%, 92.7% reported premenstrual physical symptoms, and 55.6% reported experiencing premenstrual emotional changes. Having a low level of adherence to a Mediterranean diet was associated with the presence of dysmenorrhea, with an adjusted odds ratio (aOR) of 1.47 (95% CI [1.06, 2.03]). Having a low level of physical activity was strongly associated with the presence of premenstrual physical symptoms, with an aOR of 5.89 (95% CI [1.71, 20.26]). Also, an association was found between tobacco use and premenstrual emotional changes, with an aOR of 2.02 (95% CI [1.25, 3.25]). Furthermore, dysmenorrhea and PMS were both associated with a low quality of life, with pain and emotional changes being the most significantly associated factors, with ORs of 16.25 (95% CI [10.36, 25.47]) and 26.73 (95% CI [16.46, 43.40]), respectively.

CONCLUSIONS: Similar to previous studies, the findings of this study indicate a high prevalence of dysmenorrhea and PMS among young university students in western Spain, with both of these symptoms impacting quality of life significantly and negatively. In addition, lifestyle habits, diet, physical activity, and tobacco use seem to influence the occurrence of these symptoms. Promoting lifestyle changes may be an effective strategy to reduce the incidence of dysmenorrhea and PMS and improve the quality of life of young women.

PMID:39874525 | DOI:10.1097/jnr.0000000000000657

Acta Bioeng Biomech. 2025 Jan 28;26(2):73-79. doi: 10.37190/abb-02411-2024-03. Print 2024 Jun 1.

ABSTRACT

Purpose: The purpose of this study was to quantify the impact of smartphone use while sitting on the toilet on the spinal flexion angles and the time effect. Methods: Measurements of the spinal flexion angles in the sagittal plane were made by thirty participants while they sat on the toilet for 10 min, using a smartphone in either one, both, or neither hand. The individual’s forehead, cervical, thoracic and lumbar spinal areas were each fitted with five different inertial motion sensors. SPSS 26.0 software was used to statistically evaluate all of the data. Results: People who used smartphones with both hands had considerably larger (P < 0.05) cervical and spinal flexion angles than those who did not. A statistically significant (P < 0.001) association was observed by regression analysis between time and spinal flexion angle (r = 0.747 for no smartphone, r = 0.793 for a smartphone used in one hand and r = 0.855 for a smartphone used in both hands). Consequently, when using the smartphone with both hands, the flexion angle of the spine entered a more stable state of angles. Conclusions: The results showed that the cervical region’s flexion angles change when using a smartphone while sitting on the toilet. Even when not using a smartphone, the flexion angle of the spine when sitting on the toilet will progressively increase.

PMID:39874515 | DOI:10.37190/abb-02411-2024-03

Acta Bioeng Biomech. 2025 Jan 28;26(2):135-142. doi: 10.37190/abb-02458-2024-03. Print 2024 Jun 1.

ABSTRACT

Purpose: Brain tissue immersed in cerebrospinal fluid often exhibits complex mechanical behaviour, especially the nonlinear stress- strain and rate-dependent responses. Despite extensive research into its material properties, the impact of solution environments on the mechanical behaviour of brain tissue remains limited. This knowledge gap affects the biofidelity of head modelling. This study aimed to investigate the effect of solution environments on brain tissue under quasi-static and dynamic loading conditions. Methods: Porcine brain tissue was characterized in compression through quasi-static nonlinear testing and Dynamic Mechanical Analysis under various environments: air, physiological saline and artificial cerebrospinal fluid. Frequencies from 0.1 to 40 Hz were applied to determine dynamic behaviour, while brain samples were compressed up to a 0.3 strain level to obtain nonlinear response. The effects of strain, frequency and solution environment on the mechanical response of brain tissue were statistically evaluated. Results: As environmental conditions transitioned from air to artificial cerebrospinal fluid, the average stress of brain tissue increased by approximately 1.3, 1.3 and 1.4 times at strain levels of 0.1, 0.2 and 0.3, respectively. A statistically significant increase in dynamic storage and loss moduli was observed between air and artificial cerebrospinal fluid environments. At frequencies above 18 Hz, the tan delta in air was significantly lower. Conclusions: The mechanical characterization of brain tissue exhibited a dependency on solution environment under both quasi-static and dynamic loading conditions. Brain tissue showed higher stress levels and dynamic modulus in solution environments compared to an air environment. The results of this study are valuable for improving head simulations and brain material models.

PMID:39874509 | DOI:10.37190/abb-02458-2024-03

Acta Bioeng Biomech. 2025 Jan 28;26(2):81-91. doi: 10.37190/abb-02442-2024-02. Print 2024 Jun 1.

ABSTRACT

Purpose: This study evaluated changes in selected spatiotemporal and kinematic gait parameters and balance in girls with Adolescent idiopathic scoliosis (AIS) with and without the Chêneau brace. Methods: 15 subjects with scoliosis wearing the Chêneau brace and an equal comparative control group underwent objective gait analysis with the 3D BTS motion caption system. Balance assessment was done with the Kistler platform. The analysis was performed at comparison of gait and balance parameters in patients with scoliosis in two conditions: with and without the Chêneau brace during the study. Results: Statistically significant differences occurred in many spatiotemporal and kinematic parameters both for the AIS group with and without the Chêneau brace and in the AIS group with and without the Chêneau brace as compared to the control group. When comparing adolescents with AIS with and without the Chêneau brace, statistically significant differences were noted in the COP-X amplitude and in the path length in trials with closed eyes. Compared to the control group the following differences were statistically significant: the value of the COP-Y amplitude during the trial with closed eyes, both with and without the Chêneau brace, and the Equivalent area of the COP during the trial with closed eyes with the Chêneau brace. Conclusions: The Chêneau brace in patients with juvenile idiopathic scoliosis affects the level of selected balance and gait parameters.

PMID:39874506 | DOI:10.37190/abb-02442-2024-02

Epidemiology. 2025 Jan 28. doi: 10.1097/EDE.0000000000001840. Online ahead of print.

ABSTRACT

BACKGROUND: Hospital regionalization involves balancing hospital volume and travel time. We investigated how hospital volume and travel time affect perinatal mortality and the risk of delivery in transit using three different study designs.

METHODS: This nationwide cohort study used data from the Medical Birth Registry of Norway (1999-2016) and Statistics Norway. We compared estimates across three designs: (1) Observed confounder adjustment: Comparing women giving birth at hospitals of different sizes and travel times (1,066,332 births), (2) Sibling comparison: Comparing women who moved between hospital catchment areas between births (203,464 births), (3) Neighbor comparison: comparing women living in neighboring municipalities, but in different hospital catchment areas (460,776 births).

RESULTS: The study population included 5080 (0.48%) perinatal deaths and 7063 deliveries in transit (0.66%). For hospitals with 2000 compared with 500 births/year, observed confounder adjustment showed 1.81 times higher perinatal mortality (95% confidence interval [CI] 1.21-2.73). However, sibling and neighbor comparisons showed a factor 0.64 (95% CI 0.43-0.97) and 0.61% (95% CI 0.43-0.88) lower perinatal mortality, respectively. Increased travel time was strongly associated with higher perinatal mortality using observed confounder adjustment, but this was not supported by the other designs. Longer travel time was consistently linked to an increased risk of delivery in transit.

CONCLUSIONS: Perinatal mortality was higher in high-volume hospitals when adjusting for observed confounders. However, triangulating inferences from the other designs suggested the opposite, estimating that observed confounder control was insufficient. This supports the idea that access to higher-volume hospitals could improve perinatal outcomes at the population level.

PMID:39874482 | DOI:10.1097/EDE.0000000000001840

Res Nurs Health. 2025 Jan 28. doi: 10.1002/nur.22447. Online ahead of print.

ABSTRACT

The patient activation measure (PAM), a recognized measure of how active patients are in their care, is one of the most extensively used, widely translated, and tested instruments worldwide in measuring patient activation. This study aimed to assess the psychometric properties and construct validity of the Italian version of the 13-item Patient Activation Measure (PAM13-I) among patients undergoing elective laparoscopic cholecystectomy. A multicenter study was conducted across 111 surgical units in Italy. This study involved the preoperative administration of the PAM questionnaire to 4532 patients. The psychometric properties of the PAM were evaluated using Rasch analysis. The PAM13-I demonstrated good internal consistency (Cronbach’s α = 0.95) and reliability indices. While fit statistics were acceptable, ceiling effects were observed. No significant differential item functioning was found. However, issues with targeting and local response dependency were identified. The Italian PAM-13 showed promising psychometric properties among surgical patients, indicating its potential utility in assessing patient activation. However, concerns regarding ceiling effects and targeting suggest the need for further refinement and validation in surgical populations.

PMID:39874068 | DOI:10.1002/nur.22447

J Magn Reson Imaging. 2025 Jan 28. doi: 10.1002/jmri.29719. Online ahead of print.

ABSTRACT

BACKGROUND: Multifrequency MR elastography (mMRE) enables noninvasive quantification of renal stiffness in patients with chronic kidney disease (CKD). Manual segmentation of the kidneys on mMRE is time-consuming and prone to increased interobserver variability.

PURPOSE: To evaluate the performance of mMRE combined with automatic segmentation in assessing CKD severity.

STUDY TYPE: Prospective.

PARTICIPANTS: A total of 179 participants consisting of 95 healthy volunteers and 84 participants with CKD.

FIELD STRENGTH/SEQUENCE: 3 T, single shot spin echo planar imaging sequence.

ASSESSMENT: Participants were randomly assigned into training (n = 58), validation (n = 15), and test (n = 106) sets. Test set included 47 healthy volunteers and 58 CKD participants with different stages (21 stage 1-2, 22 stage 3, and 16 stage 4-5) based on estimated glomerular filtration rate (eGFR). Shear wave speed (SWS) values from mMRE was measured using automatic segmentation constructed through the nnU-Net deep-learning network. Standard manual segmentation was created by a radiologist. In the test set, the automatically segmented renal SWS were compared between healthy volunteers and CKD subgroups, with age as a covariate. The association between SWS and eGFR was investigated in participants with CKD.

STATISTICAL TESTS: Dice similarity coefficient (DSC), analysis of covariance, Pearson and Spearman correlation analyses. P < 0.05 was considered statistically significant.

RESULTS: Mean DSCs between standard manual and automatic segmentation were 0.943, 0.901, and 0.970 for the renal cortex, medulla, and parenchyma, respectively. The automatically quantified cortical, medullary, and parenchymal SWS were significantly correlated with eGFR (r = 0.620, 0.605, and 0.640, respectively). Participants with CKD stage 1-2 exhibited significantly lower cortical SWS values compared to healthy volunteers (2.44 ± 0.16 m/second vs. 2.56 ± 0.17 m/second), after adjusting age.

CONCLUSION: mMRE combined with automatic segmentation revealed abnormal renal stiffness in patients with CKD, even with mild renal impairment.

PLAIN LANGUAGE SUMMARY: The renal stiffness of patients with chronic kidney disease varies according to the function and structure of the kidney. This study integrates multifrequency magnetic resonance elastography with automated segmentation technique to assess renal stiffness in patients with chronic kidney disease. The findings indicate that this method is capable of distinguishing between patients with chronic kidney disease, including those with mild renal impairment, while simultaneously reducing the subjectivity and time required for radiologists to analyze images. This research enhances the efficiency of image processing for radiologists and assists nephrologists in detecting early-stage damage in patients with chronic kidney disease.

LEVEL OF EVIDENCE: 2 TECHNICAL EFFICACY: Stage 2.

PMID:39874058 | DOI:10.1002/jmri.29719

Lymphology. 2024;57(3):157-168.

ABSTRACT

This study examined the effect of lymphedema self-care patient school education on patient functionality, quality of life, body value, and lymphedema volume in patients with lower extremity lymphedema. The study utilized a single-group quasi-experimental design. The study sample included 21 patients with primary and secondary lower extremity lymphedema. A multidisciplinary team created a face-to-face lymphedema self-care patient education program that lasted three weeks with four hours each week to enhance lymphedema self-care management. Data collected from participants prior to the program and then at third and sixth months via Lower Extremity Functional Scale (LEFS), Lymphedema Functionality, Disability and Quality of Life Scale in Lower Extremity Lymphedema (LYMPH-ICF-LL), Body Value Scale, and extremity volumes. The average age of the patients was 54.85±11.99 years and two-thirds had secondary lymphedema. A statistically significant difference was found in the mean scores of LEFS (p<0.001), LYMPH-ICF-LL total (p= 0.006) in the 3rd and 6th months after the completion of the program, and in the lymphedema volume change (p= 0.031) in the 6th month. It was found that the lymphedema self-care patient school improved functionality and quality of life in patients with lower extremity lymphedema and decreased lymphedema volume. This lymphedema self-care patient education pro-gram is a safe and effective educational method for self-care management in individuals with lower extremity lymphedema.

PMID:39874052