Sakshi Koundal, Apoorva Pathania, Harman Deep Kour, Anu Radha Pathania, Jatinder Kaur, Bhanu Juneja, Girish Chandra Sharma, Abhijit Bhowmik, A Johnson Santhosh
{"title":"Molecular interaction study of L-Ornithine with bovine serum albumin using spectroscopic and molecular docking methods.","authors":"Sakshi Koundal, Apoorva Pathania, Harman Deep Kour, Anu Radha Pathania, Jatinder Kaur, Bhanu Juneja, Girish Chandra Sharma, Abhijit Bhowmik, A Johnson Santhosh","doi":"10.1038/s41598-025-93108-z","DOIUrl":"https://doi.org/10.1038/s41598-025-93108-z","url":null,"abstract":"<p><p>Activates the pituitary gland, leading to increased secretion of growth hormone. This activation plays a crucial role in growth, metabolism, and tissue repair. Bovine serum albumin, a well-studied protein, demonstrates the interaction between proteins-ligands and transports various compounds in the bloodstream. This study elucidates the molecular interactions between L-ornithine and BSA through spectroscopic analysis, identifying binding modes, constants, and structural changes. Molecular docking techniques are employed to correlate with experimental data from fluorescence and UV spectroscopy analyses.The study uses Fourier transform infrared spectroscopy, UV-Visible spectroscopy, fluorescence spectroscopy, circular dichroism spectroscopy and molecular docking to analyze the interaction between bovine serum albumin and L-ornithine, providing thermodynamic parameters for understanding the protein structure and its binding.The interactions between L-ornithine and bovine serum albumin (BSA) were characterized using UV-visible spectroscopy, which demonstrated a hyperchromic shift. Fluorescence spectroscopy revealed that L-ornithine quenches the intrinsic fluorescence of both BSA and human serum albumin (HSA) via a static quenching mechanism, resulting in the formation of stable BSA-L-ornithine and HSA-L-ornithine complexes. Furthermore, Fourier-transform infrared (FTIR) and circular dichroism (CD) spectroscopy indicated a decrease in the secondary structure of the proteins, as evidenced by shifts in the amide II band and a concomitant reduction in α-helix content. Molecular docking studies suggested that L-ornithine binds to BSA within subdomain II. Collectively, these findings provide valuable insights into the metabolic pathways of L-ornithine and its potential pharmacological relevance. The study involves more precise information which revealing the insight of L-ornithine bioavailability. The finding enhances our understanding of interaction with potential implications for drug delivery.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11997"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wafaa H B Hassan, Afaf E Abdel Ghani, Esraa A Taema, Galal Yahya, Mohamed E El-Sadek, Basem Mansour, Mahmoud Saad Abdel-Halim, Asmaa M Arafa
{"title":"Chemical profile, virtual screening, and virulence-inhibiting properties of Sphagneticola trilobata L. essential oils against Pseudomonas aeruginosa.","authors":"Wafaa H B Hassan, Afaf E Abdel Ghani, Esraa A Taema, Galal Yahya, Mohamed E El-Sadek, Basem Mansour, Mahmoud Saad Abdel-Halim, Asmaa M Arafa","doi":"10.1038/s41598-025-94486-0","DOIUrl":"https://doi.org/10.1038/s41598-025-94486-0","url":null,"abstract":"<p><p>The escalating threat of microbial resistance underscores the urgent need for innovative solutions, including natural agents capable of attenuating virulence. This study explores the antimicrobial and anti-virulence potential of essential oils (EOs) derived from Sphagneticola trilobata against Pseudomonas aeruginosa. Through GC/MS analysis, volatile metabolites from the flower heads and leaves/stems of Egyptian S. trilobata were identified, revealing 43 and 62 components, respectively. Key compounds included α-phellandrene, α-pinene, D-limonene, and α-thujene. The Minimum Inhibitory Concentrations (MIC) of flower head and leaf/stem EOs against P. aeruginosa were 1.17% and 1.75% v/v, respectively. At sub-MIC doses (1/8th of the MIC), the EOs exhibited significant anti-virulence properties, including complete inhibition of protease activity and disruption of biofilm formation, which are crucial for bacterial survival and pathogenicity. Additionally, they effectively suppressed the expression of quorum sensing genes, which are essential for bacterial communication and virulence. Virtual screening of four major EO components (+)-(R)-limonene, (±)-α-pinene, α-phellandrene, and α-thujene against five critical protein targets involved in biofilm formation, quorum sensing, virulence, and protease activity in P. aeruginosa further supported their anti-virulence and antibiofilm actions, showing high affinity for these targets. These findings suggest that the EOs of S. trilobata hold great potential as natural virulence attenuating agents, particularly against biofilm-forming pathogens like P. aeruginosa.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11964"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Comprehensive serotyping of Mannheimia haemolytica by a PCR system using the diversity of capsule biosynthesis genes.","authors":"Atsushi Iguchi, Yuichi Ueno, Kaori Hoshinoo, Miki Okuno, Ryoko Uemura, Garam You, Yoshitoshi Ogura, Daisuke Takamatsu","doi":"10.1038/s41598-025-97176-z","DOIUrl":"https://doi.org/10.1038/s41598-025-97176-z","url":null,"abstract":"<p><p>The bovine respiratory disease complex (BRDC) is a global issue affecting dairy and beef farms and is of major concern due to the high morbidity and mortality rates in calves, as well as decreased production it causes, resulting in significant economic losses. Mannheimia haemolytica is one of the secondary pathogens associated with BRDC. M. haemolytica is classified into 12 serotypes based on capsular antigens. In addition to the prevalent serotypes A1, A2, and A6, strains belonging to other serotypes also cause respiratory diseases in cattle and other ruminants, necessitating a method for their rapid and easy identification. In this study, we organized the capsule biosynthesis genes based on genome information from all serotype strains and designed 11 PCR primer pairs targeting serotype-specific genes, which could individually identify serotypes A14/A16, which possess homologous genes, as well as all other serotypes. Additionally, we developed two multiplex PCR kits that include these serotype-specific and M. haemolytica species-specific primers. Specificity testing using reference strains confirmed that these kits can simultaneously and clearly identify both the species and their serotypes. The PCR-based system described here could be a valuable tool for subtyping M. haemolytica strains in epidemiological studies and surveillance efforts in cattle and other reservoir animals. This study also carefully compared and discussed the differences between the capsule synthesis genes of A8 and A14 from previously published and those obtained in this study.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11970"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The effective-compound compatibility of JHF inhibits fibroblast activation in pulmonary fibrosis by enhancing PINK1/PARK2-mediated mitophagy.","authors":"Yunping Bai, Xiaohong Yin, Qin Zhang, Xingjie Sang, Wenjing Wu, Dong Shao, Peng Zhao, Jiansheng Li","doi":"10.1038/s41598-025-95175-8","DOIUrl":"https://doi.org/10.1038/s41598-025-95175-8","url":null,"abstract":"<p><p>This work aimed to elucidate the anti-PF mechanism of ECC-JHF.The effects of ECC-JHF on lung fibrosis and fibroblast activation were investigated by establishing a BLM-induced PF rat model and a transforming growth factor-beta (TGF-β)-induced fibroblast activation model. Furthermore, the effects of ECC-JHF on Nrf2 signaling and mitophagy were explored both in vivo and in vitro. In the PF model rats, ECC-JHF mitigated pathological damage, reduced collagen deposition, decreased levels of malondialdehyde (MDA) and P62, and increased levels of total superoxide dismutase (T-SOD) as well as the expression of Nrf2, HO-1, PINK1, PARK2, and LC3B in lung tissues. These results suggest that the anti-PF mechanism of ECC-JHF may be associated with the inhibition of oxidative stress and the enhancement of mitophagy. The medium dose of ECC-JHF and pirfenidone were similar in improving pulmonary fibrosis in rats. In the TGF-β-induced lung fibroblast activation, ECC-JHF inhibited fibroblast activation by downregulating the levels of fibronectin, alpha-smooth muscle actin (α-SMA), and collagen I. Additionally, ECC-JHF upregulated the level of Nrf2 and its target proteins, including HO-1 and NQO1, as well as mitophagy-related proteins PINK1, PARK2, and LC3B. This led to an increase in the co-localization of TOM20 and LC3, thereby enhancing mitochondrial autophagy. The application of Nrf2 siRNA and Nrf2 inhibitors significantly diminished the effects of ECC-JHF on Nrf2 signaling, PINK1/PARK2-mediated mitophagy, and fibroblast activation. ECC-JHF exerts a protective effect against PF by suppressing fibroblast activation through the upregulation of Nrf2 and PINK1/PARK2-mediated mitophagy, it provides a new target and strategy for the treatment of pulmonary fibrosis.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11935"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Numerical study on falling film flow outside the refrigerant tube.","authors":"Longfei Dong, Rui Zhang","doi":"10.1038/s41598-025-96057-9","DOIUrl":"https://doi.org/10.1038/s41598-025-96057-9","url":null,"abstract":"<p><p>The liquefied natural gas (LNG) floating production storage and offloading (FPSO) unit is a new type of floating production device developed for the exploitation, pretreatment, liquefaction, and storage of offshore natural gas. In this study, the shell side structure of the spiral-wound heat exchanger is analyzed, and the effects of varying the Reynolds number (Re), tube outer diameter, and number of distributors on the thickness of the shell-side liquid film are investigated. The results show that as the fluid flows down from the distributor, it hits the upper wall of the pipeline and diffuses evenly to both sides, before converging in between the two distributors. In the axial direction, the thickness of the liquid film increases first, reaches the highest at the peak, then decreases, reaches the lowest at the trough, and then increases again, forming a secondary peak at the drop. The thickness of the liquid film changes periodically, and the period is the distance between the two distributors. The thickness of the circumferential liquid film is negatively correlated with the circumferential angle, α. Moreover, the liquid film is thinnest at α = 120°, and is positively correlated with both the liquid mass flow rate and the outer diameter of the tube. The most uniform liquid film thickness is obtained when Re = 1500, the tube outer diameter is 12 mm, and the number of distributors is 6. The results from this study can guide the design of spiral-wound heat exchangers and facilitate their safe and efficient operation in natural gas liquefaction processes.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11952"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143811940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Patcharaporn Porndumnernsawat, Till D Frank, Lily Ingsrisawang
{"title":"On a Bayesian multivariate survival tree approach based on three frailty models.","authors":"Patcharaporn Porndumnernsawat, Till D Frank, Lily Ingsrisawang","doi":"10.1038/s41598-025-96198-x","DOIUrl":"https://doi.org/10.1038/s41598-025-96198-x","url":null,"abstract":"<p><p>This study compared the performance of the Bayesian multivariate survival tree approach constructed from extended Cox proportional hazard with gamma frailty term, and two shared gamma frailty models with exponential and Weibull baseline hazard function, respectively. A simulation study was applied to evaluate the impact of the baseline hazard function, number of clusters (200, 500, 1000), cluster size (5, 10, 20), and right censoring rate (10%, 50%, 80%) on the performance of classification. We generated 90 clustered survival datasets having correlated failure times and 50 covariates at cluster level and at individual level. Each dataset was resampling 1000 times by selecting clusters at random 70% as training datasets and the rest 30% as the test datasets. The performance of a Bayesian multivariate survival tree approach based on shared gamma frailty models with Weibull distribution provided the highest accuracy. All three models, the accuracy tended to increase with an increase in the cluster size and the number of clusters. The accuracy decreased monotonically with increasing the percentage of censoring rate. In conclusion, the use of the Bayesian multivariate survival tree approach constructed from the shared gamma frailty with baseline hazard function as Weibull distribution was recommended.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"12017"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143811976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xueliang Jiang, Haodong Wang, Hui Yang, Jun Yin, Bo Shen
{"title":"One-dimensional compression behavior of calcareous sand cemented with EICP and coir fiber.","authors":"Xueliang Jiang, Haodong Wang, Hui Yang, Jun Yin, Bo Shen","doi":"10.1038/s41598-025-96321-y","DOIUrl":"https://doi.org/10.1038/s41598-025-96321-y","url":null,"abstract":"<p><p>Calcarenite sand, as a key geotechnical material in the construction of South China Sea islands and reefs, is limited in its engineering applications due to its significant high compressibility characteristics. This study proposes a treatment method combining Enzyme-Induced Calcium Carbonate Precipitation (EICP) with coir fiber. Through a series of one-dimensional compression tests, the effects of different grouting times (0, 3, 6, 9), coir fiber contents (0%, 0.2%, 0.4%, 0.6%, 0.8%), and relative densities (30%, 60%, 90%) on the compressive characteristics of calcarenite sand were systematically investigated. The research findings indicate that as the number of EICP grouting cycles increases, the reduction in the void ratio of the samples gradually diminishes. Under the same conditions, the addition of coir fiber initially leads to a decrease in the reduction of the void ratio, followed by an increasing trend. The experimental data under various conditions were successfully fitted using the Harris function, elucidating the relationships between the model parameters b and c and the factors of calcium carbonate content, coir fiber content, and initial void ratio. Additionally, the Lasso regularization method was employed, and a polynomial model equation was established using Matlab software based on the method of defining training and testing datasets (with the parameter b as a 4th-order polynomial and the c as a 3rd-order polynomial). Validation demonstrated that the constructed model equations possess high predictive accuracy and generalization capability. This study not only deepens the understanding of the one-dimensional compressive deformation of calcarenite sand under the synergistic effect of coir fiber and EICP technology, but also provides a theoretical basis for the rapid assessment and optimization of the compressive characteristics of calcarenite sand foundations in the construction of South China Sea islands and reefs.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11954"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Exploring the factors influencing continuance intention to use simulation software in mechatronic engineering by integrating the TAM and TTF model.","authors":"Jiaxing Li, Wenhong Liang","doi":"10.1038/s41598-025-90585-0","DOIUrl":"https://doi.org/10.1038/s41598-025-90585-0","url":null,"abstract":"<p><p>This study aims to investigate the factors influencing students' continuance intention to use simulation software in mechatronic engineering education by integrating the technology acceptance model (TAM) and task technology fit (TTF) model. This study distributed questionnaires and collected data through the WJX platform. The questionnaire incorporated established and validated scales to measure key constructs, including perceived ease of use, perceived usefulness, task‒technology fit, student satisfaction, and continuance intention. The participants were 351 mechatronics engineering students (including undergraduates, postgraduates, and doctoral students) from universities in Shaanxi Province, China, who had some experience using simulation software. The data were analysed via structural equation modelling (SEM) to ensure that the sample size matched the number of model variables. The results indicated that perceived ease of use, perceived usefulness, and task‒technology fit positively affected students' satisfaction with the simulation software. Task‒technology fit and satisfaction have a positive effect on the students' continuance intention to use the simulation software. Notably, the effects of task‒technology fit and satisfaction on students' willingness to persist in using the simulation software are approximately similar. In addition, task‒technology fit not only directly influenced the willingness to persist in using simulation software in mechatronics learning but also indirectly affected these intentions through students' satisfaction with the simulation software. These findings provide valuable insights into the design and implementation of simulation software in mechatronics engineering education, emphasizing the importance of aligning software functions with students' learning tasks and goals.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"12046"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Comparative diabetes mellitus burden trends across global, Chinese, US, and Indian populations using GBD 2021 database.","authors":"Yafei Chen, Guoyu Wang, Zhiyong Hou, Xinxin Liu, Siyi Ma, Min Jiang","doi":"10.1038/s41598-025-96175-4","DOIUrl":"https://doi.org/10.1038/s41598-025-96175-4","url":null,"abstract":"<p><p>Diabetic mellitus (DM) poses a significant challenge and stress to global health, comparing the burden of disease in the world's three most populous countries while projecting changes in trends in age-standardized rate (ASR) -deaths and disability adjusted life years (DALYs) up to 2050. Using GBD2021 data, we examined DM trends in China, US, India and globally for 1990-2021, and projected deaths and DALYs for DM (types 1 and 2) for 2022-2050 using Bayesian age-period-cohort (BAPC) model. It was found that the ASR-DALYs and deaths for T1DM are trending downward globally, while those for T2DM are trending upward. In terms of gender differences, the burden of T1DM by gender was insignificant, whereas the burden of disease was significantly higher in men with T2DM than in women. The burden of disease for T1DM peaks around the ages of 40-44 years, while the burden of disease for T2DM peaks at 65-69 years. Population growth and ageing are major factors influencing the disease burden of diabetes. The projection of ASR-deaths and DALYs globally for 2022-2050 showed a decreasing trend in T1DM and an increasing trend in T2DM (especially in China and India). The increasing burden of T2DM disease globally and in three countries by 2050 should be taken seriously.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"11955"},"PeriodicalIF":3.8,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143812413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}