bluuebunny/crossref_metadata_2025 huggingface dataset:
Data-driven reconstruction of wind speed randomness in an urban area
Authors: Walle Otoniel , Soto María Valentina Iréndira , Saldaña Fernando , Hernández Francisco , Almaguer Francisco Javier
Published: March 2024

This study proposes two diffusion models to analyze the wind speed variability in an urban area. The analysis is based on annual time series data collected from fourteen weather stations. A basic criterion has been suggested to categorize these stations based on the variance of the stochastic process for the stationary case. This criterion can be used in studies of air pollution, wind energy, and other related fields where the geographical classification of weather stations is not feasible. The Kramers-Moyal (KM) coefficients and kernel-based regression (KBR) have been utilized to estimate the drift and diffusion terms. The numerical solution of the proposed Langevin equation was used to calculate the statistical properties of the process, taking into account the variance values for station classification. The results show that only two Langevin models are required instead of the original fourteen, based on the variance values. This demonstrates that it is feasible to establish models using basic statistical properties of time series when geographical classification is not possible.
Hyperspectral satellite reveals an unexpected increase of global SO2 over oceans over the last two decades
Authors: Hu Qihou , Li Ziwei , Wang Xiaohan , Ye Jin , Zhu Yizhi , Zhao Ran , Liu Cheng
Published: March 2024

Sulfur dioxide(SO2) is a major air pollutant over oceans, which exacerbates ecological and environmental issues like acid rain, ocean acidification, and air pollution. Over the past few decades, the robust growth of the shipping industry has led to a continuous increase in SO2 emissions by ocean-going vessels. However, the trend of global SO2 concentrations over the oceans is unclear due to rare in-situ observations at marine sites. Hyperspectral satellite remote sensing is an ideal method to obtain the spatiotemporal distribution of SO2, whereas accurately retrieving SO2 concentrations in the marine atmosphere has traditionally been challenging due to issues like high noise levels and limitations in detecting lower concentrations close to the detection limits. In this study, we retrieved global SO2 concentrations, particularly over oceans, from the space-borne Ozone Monitoring Instrument (OMI) through a series of remote sensing algorithm optimizations from spectral calibration to retrieve. Our research revealed that the average global SO2 concentrations over lands almost unchanged although the concentrations in China and the United States decreased by 51% and 24%, respectively. Nevertheless, global SO2 concentrations over oceans increased at an annual rate of 6.1%, with an increase over the inshore regions of India of 200% from 2005 to 2018, despite a notable decrease over inshore China at an annual rate of 4.2%. Our study revealed that the increase in shipments will not necessarily lead to an increase in SO2. Under green competitiveness, SO2 per TEU over inshore China continuously decreased, which induced a great decrease in SO2 with a 214% increase in throughput.
Regioselective and enantioselective propargylic hydroxylations catalyzed by P450tol monooxygenases
Authors: Deng Xu , Song Cheng-Cheng , Gu Wen-Jing , Wang Yu-Jie , Feng Lu , Zhou Xiao-Jian , Zhou Ming-Qiang , Yuan Wei-Cheng , Chen Yongzheng
Published: March 2024

Regioselective and enantioselective hydroxylation of propargylic C-H bonds are useful reactions but often lack appropriate catalysts. Here a green and efficient asymmetric hydroxylation of primary and secondary C–H bonds at propargylic positions has been established. A series of optically active propargylic alcohols were prepared with high regio- and enantioselectivity (up to 99% ee) under mild reaction conditionsby using P450tol, while the C≡C bonds in the molecule remained unreacted. This protocol provides a green and practical method for constructing enantiomerically chiral propargylic alcohols. In addition, we also demonstrated that the biohydroxylation strategy was able to scaled up to 2.25 mmol scale with the production of chiral propargyl alcohol 2a at a yield of 196 mg with 96% ee, which’s an important synthetic intermediate for antifungal drug Ravuconazole.
The performance of single and combination test strategies using visual inspection, cytology, high-risk HPV DNA and HPV16/18 to screen South African women with and without HIV-infection.
Authors: Dreyer Greta , Visser Cathy , Dreyer Gerrit Jan , Botha Matthys H , Merwe Frederick H van der , Richter Karin L , Snyman Leon C
Published: March 2024

Background
Cervical cancer screening strategies should ideally be informed by population-specific data. Strategies recommended for secondary prevention, are often inadequately studied in populations with high cervical disease burdens. This report describes the test performance measured against CIN2+/CIN3+ histology in HIV-positive women (HPW) and HIV-negative women (HNW) with the aim to determine the most effective strategies to identify South African women at risk.
Methods
Primary screening using visual inspection, cytology and HPV DNA(cobas®) was performed in two South African provinces on 456 HPW and 639 HNW participating in the multicentric DiaVACCS trial. Histology was obtained for 91.7% screen-positive and 42.7% screen-negative participants, and unavailable histology was determined by multiple imputation to adjust for verification bias. Cross-sectional test performance was calculated for single and combination test strategies with and without intermediate risk categories using different cut-offs. Minimum acceptability for sensitivity and specificity, treatment and follow-up numbers were considered to evaluate strategies.
Results
The only single test to reach acceptability in HPW was cytology(LSIL) [sensitivity 71.2%; specificity 90.5%; treatment 33.4%]; in HNW only HPV(hr) qualified [sensitivity 68.2%; specificity 85.2%; treatment 23.5%]. The universally best performing strategy which also resulted in smaller treatment numbers without intermediate risk group was primary HPV(hr), with treatment of both HPV(16/18) and cytology(ASCUS+) [HPW: sensitivity 73.6%; specificity 89.7%; treatment 34.7%. HNW: sensitivity 59.1%; specificity 93.6%; treatment 13.9%].
DNA testing for hrHPV(any) and hrHPV(16/18) was the best universally acceptable strategy with an intermediate risk category (early follow-up) in HPW [sensitivity 82.1%; specificity 96.4%; treatment 17.1%; follow-up 31.4%] and HNW [sensitivity 68.2%; specificity 96.7%; treatment 7.6%; follow-up 15.9%]. In comparison, using both HPV(16/18) and cytology(ASCUS+) as secondary tests in hrHPV positive women, decreased follow-up [HPW 13.8%, HNW 9.6%], but increased treatment [HPW 34.7%, HNW 13.9%].
Conclusion
Using hrHPV(any) as primary and both HPV16/18 and cytology as secondary tests, was universally acceptable without an intermediate risk group. Strategies with follow-up groups improved screening performance with smaller treatment numbers, but with effective management of the intermediate risk group as prerequisite.
Advocacy through storytelling: Challenging Eating Disorders and Eating Disorders Stigma
Authors: Habibagahi Kiana , Ferrari Michel
Published: March 2024

Background: Although eating disorders (EDs) are among the most stigmatised mental illnesses, a number of individuals break past this stigma and engage in ED advocacy by sharing their recovery stories. Little is known, however, about the role of such advocacy in their healing journeys.
Methods: To bridge this gap, this study examines the role of autobiographical oral storytelling in the ED recovery of adult advocates. Autobiographical oral history interviews were carried out with adult advocates (n = 16) recovering from EDs. The data were analysed using a mixture of Semiotic and Actantial analyses.
Results: Advocates chose to share their ED stories as a way to embody resilience and make meaning from their ED experiences. Beyond personal gains, the social benefits of sharing their stories included raising hope and openness to converse further with audiences, advocating for greater ED resources (e.g., ED literacy among school staff), and offering new training initiatives for healthcare professionals.
Conclusions: Engaging in advocacy through storytelling can positively affect both the advocates and the audiences with whom they connect. Future studies, informed by feminist biopsychosocial frameworks, can examine storytelling as a therapeutic intervention. Such frameworks serve as alternatives to biomedical models of EDs and mental illnesses. They also emphasise the need for broader changes that destabilise oppressive body cultures and display how storytelling can help mobilise change.
Multi-objective optimization of ternary geopolymers with multiple solid wastes using machine learning and NSGA-II
Authors: Zhang Junfei , Shang Fuying , Huo Zehui , Zhang Lei , Xue Guixiang
Published: March 2024

The design of the mixtures of the ternary geopolymer is challenging due to the need to balance multiple objectives, including cost, strength, and carbon emissions. In order to address this multi-objective optimization (MOO) problem, machine learning models and the NSGA-II algorithm are employed in this study. To train the machine learning models, namely Artificial Neural Network (ANN), Support Vector Regressor, Extremely Randomized Tree, and Gradient Boosting Regression, 120 uniaxial compressive strength (UCS) values of ternary geopolymers with fly ash (FA), granulated blast furnace slag (GBFS) and steel slag (SS) as precursor materials were obtained from laboratory tests. Results show that the ternary geopolymer with the ratio of FA:GBFS:SS of 2:5:3 has the highest 28-d UCS of 46.8 MPa. The predictive accuracy of the ANN model is the highest with R = 0.949 and RMSE = 3.988MPa on the test set. Furthermore, the Shapley Additive Explanations analysis indicates that precursor materials exhibit the most significant influence on the UCS, particularly the content of GBFS. Based on the ANN model and NSGA-II algorithm, a multi-objective optimization (MOO) model is developed to optimize simultaneously the strength, cost and carbon emission of the ternary geopolymer. The derived MOO model can be used to design mixtures of other cementitious materials with multiple objectives.
Perceptions among nursing staff regarding computerization and computer use at Kenyatta National Hospital Kenya: a cross-sectional study
Authors: Musee Christine Mwikali , Sisimwo Peter Kiteywo , Mweu Judith Mutindi , Maina Philemona , Mutua Rosemary , Omulogoli Grace
Published: March 2024

Introduction: Information and communication technology (ICT) is among the exceptional tools that have globally immensely influenced human life and health service delivery in this century. Advances in telecommunication technology in the last two decades have led to the need to adopt computerisation and computer utilization to allow vast information acquisition, storage, retrieval and sharing. Kenyatta National Hospital has invested and implemented computerisation and computer use. It is with this in mind that this study sought to assess the perception of the nurses, being the largest hands-on health workforce, and custodians of much information, in this institution.
Methods: This was a cross sectional study of qualified nurses from all departments. Data were collected using questionnaires and observation checklists. Quantitative data were analysed using statistical package for social sciences package version 22. A sample size of 291 nurses participated in the study. Chi square test of independence was used to determine any statistically significant relationship between nominal variables. A P-value <0.05 was used to determine significance.
Results: The response rate was 100 % (291), mean age of the respondents was 39.48 years and the age group 40-44 years was the majority. Majority were senior nursing officers 132 (45.4%) and most were working in pediatric department 49(16.8%). Of the respondents 258(88.7%) felt that having computers to do work was better than when computers were unavailable; 260 (90%) perceived computerization and computer use to be useful. The results were statistically significant p<0.0001. Regarding computer skills, 164 (56.4%) felt they had adequate skills while 127 (43.6%) did not and this was statistically significant p<0.034. When asked their preferred method of documentation, 241(84.9%) were documenting using computers, 28(9.9%) paper and pen while 14(5%) were not sure and the results were statistically significant p<0.0001. Regarding rating of their computer use most nurses indicated good 116(39.9%), 102(35.1%) at fair and 40(13.7%) at excellent.
Conclusion: Majority nurses felt that the use of computers to do work was better than when they were unavailable, they had positive perception and willingness to adopt the technology and majority had basic computer skills.
Visual Signatures for Music Mood and Timbre
Authors: Wang Hanqin , Sourin Alexei
Published: March 2024

Existing research on music visualization has primarily focused on creating animated visual illustrations to accompany the music being played based on fundamental attributes such as sound frequency or music structure, whereas the higher-level features, including mood and timbre, are mostly overlooked. In this paper, we propose visual signatures to describe the higher-level attributes of music, where the content and the color palette of the visual signatures are controlled by the music mood and timbre, respectively. We expect that the users with different cultural and educational backgrounds will be able to easily interpret the meaning of sound with the proposed visual signatures. In our work, we used a contrastive learning neural network for mood classification and an audio Transformer for timbre classification. The performance of the music classification models is examined by their accuracy, while multiple generated images are displayed to showcase the feasibility of visual signatures.
A quadratic optimization program for the inverse elastography problem
Authors: Barbeiro Sílvia Alexandra Alves , Henriques Rafael Oliveira , Santos José Luis Esteves dos
Published: March 2024

In this work we focus on the development of a numerical algorithm for the inverse elastography problem. The goal is to perform an efficient material parameter identification knowing the elastic displacement field induced by a mechanical load. We propose to define the inverse problem through a quadratic optimization program which uses the direct problem formulation to define the objective function. In this way, we end up with a convex minimization problem which attains its minimum at the solution of a linear system. The effectiveness of our method is illustrated through numeral examples.
Based on IL-4/JNK/c-Jun pathway, the effect of Jianpi Yishentongqiao Keli on allergic rhinitis was studied
Authors: Zhao Sichao , Anni Zhang , Tong Wu , Wenrui Yan , Zhang Changxi
Published: March 2024

objective: The objective is to investigate the mechanism of Jianpi Yishentongqiao Keli（JPYSTQKL）in the treatment of allergic rhinitis (AR) based on network pharmacology and in vivo experiments.
material and Methods : The active ingredients and target of JPYSTQKL were screened by TCMSP platform, and the target of AR disease was obtained by Gene Cards, OMIM and TTD databases. Protein interaction (PPI) network was constructed with STRING platform. DAVID online database was used for GO/KEGG enrichment analysis.The construction of the JPYSTQKL active ingredient-AR disease target network was carried out using Cytoscape 3.9.1 in order to predict potential targets. The docking between key compounds and core target genes was subsequently verified using Auto-Dock Vina. Additionally, an AR rat model was established. 56 SD rats were randomly divided into Control group (group A), Model group (group B), JPYSTQKL high-dose group (group C), JPYSTQKL medium-dose group (group D), JPYSTQKL low-dose group (group E) and blocker by SPSS SP600125 group (group F) and Loratadine group (group G) were divided into groups and evaluated by behavioral, HE pathological observation, ELISA, Immuno-histo-chemistry, WB detection and other indicators.
Result:196 active components, 96 targets and 157 pathways of JPYSTQKL were screened. KEGG enrichment analysis involved immuno-inflammatory signaling pathways. It is related to cell proliferation and apoptosis-related signaling pathways, such as MAPK signaling pathway and IL-17 signaling pathway. Molecular docking results showed that the active ingredient was closely bound to the target gene. In vivo experiment results showed as follows: The results of HE showed that the pathological changes of nasal mucosa in SP600125 and JPYSTQKL groups were significantly reduced, cilia were arranged in an orderly manner, the structure of nasal mucosa tended to be normal, congestion and edema were slight, and inflammatory cell infiltration was significantly improved. The ELISA findings indicated that the serum concentrations of IgE, SIgE, and IL-4 were notably increased in the Model group in comparison to the Control group (P < 0.01), whereas the level of IFN-γ showed a significant reduction. In comparison to the Model group, the intervention groups exhibited a decrease in the levels of IgE, SIgE and IL-4, while the level of IFN-γ showed an increase (P < 0.01). According to Western-blot Detection, the expression of JNK, c-JUN, P-JNK and P-C-Jun proteins in nasal mucosa of Model group was significantly up-regulated (P< 0.05).Compared with the Model group, the nasal mucosa proteins of rats treated with JNK, c-JUN, P-JNK, and P-C-Jun reduced significantly (P < 0.05 or P < 0.01).
Conclusion: Jianpi Yishentongqiao Keli can a exert therapeutic effect on AR rats by inhibiting the phosphorylation of IL-4/JNK/c-Jun signaling pathway protein.
Investigating the Mechanism of Astragalus in the Treatment of Periodontitis through Bioinformatics Analysis
Authors: li Ningli , feng Jixian , Jang Mingyuan , Li Yingying , Yang Mingzhen , Zhai Yuankun
Published: March 2024

Background: Periodontitis, a common oral inflammatory disease which may cause premature tooth loss, was proved can be treated by Astragalus, but the detailed mechanisms are still not clear. We validated and discussed the molecular mechanism by using bioinformatics methods and cell experimental, and in order to clarify the mechanism of Astragalus during the treatment of periodontitis.
Methods:The active ingredients of Astragalus and their corresponding targets were obtained using the TCMSP database, and the periodontitis-related targets were obtained from DrugBank database, GeneCards database etc., then GO and KEGG analyses were performed based on Metascape database. Astragalus active ingredients and related targets network, Astragalus-active components-targets of periodontitis network, and Astragalus-active components- periodontitis targets-signaling pathways network were constructed by using Cytoscape3.9.0 software. Thereafter, Molecular docking and molecular dynamic simulation were analyzed in Discovery Studio 2019 software and Gromacs 2021.2 software package respectively, in order to evaluate the stability of combination between active components and core targets.
Results:17 compounds of Astragalus and 464 corresponding targets were obtained and 5 major active ingredients were screened from the drug active ingredients- periodontitis gene network. PPI network analysis revealed the top 10 core potential targets, 7 of them have suitable crystal structure and can be used for molecular docking, including interleukin-6 (IL6), tumor necrosis factor (TNF), RAC-α serine/threonine protein kinase (AKT1), interleukin-1β(IL1β), prostaglandin G/H synthase-2 (PTGS2), matrix metalloproteinase-9 (MMP9), and Caspase3 (CASP3). In addition, 58 GO terms and 146 KEGG pathways were identified. 5 major active ingredients and 7 core targets which mentioned above were docked molecularly in Discovery Studio 2019 software. Molecular dynamics simulations confirmed that there has a stable combination between Caspase3 and Kaempferol ligand system.
Conclusions: Based on the results of network pharmacology, molecular docking and molecular dynamics, it can be concluded that Astragalus has multiple active ingredients, and targets different signaling pathways to regulate the inflammatory response, immune response and oxidative stress in order to play a beneficial role in the treatment of periodontitis, especially Kaempferol can combine with Caspase3 stably to inhibit the cell apoptosis, our data provide solid evidences and enlightenment for the clinical application of Astragalus in future.
Dynamics of microbiome composition during anaerobic digestion of different renewable resources
Authors: Favale Nicoletta , Costa Stefania , Summa Daniela , Sabbioni Silvia , Mamolini Elisabetta , Tamburini Elena , Scapoli Chiara
Published: March 2024

BACKGROUND
This study, using the whole metagenomic sequencing approach, provides an insight in the microbial dynamics that occurred during the anaerobic digestion of two crop substrates with different lignocellulose composition: cereal grains and grape pomace.
RESULTS
A total of 15 strains were identified as specifically characterising the two substrates. Among them some strains never detected in biogas reactors were identified: Clostridium isatidis, Methanothermobacter wolfeii and Methanobacter sp MB1 in cereal grains samples and Acetomicrobium hydrogeniformans, Acetomicrobium thermoterrenum in grape pomace samples.
CONCLUSIONS
The presence of bacteria as Acetomicrobium sp. and P.mucosa, involved in the degradation of lipids and protein-rich substrates, together with Methanosarcina sp. and P.bacterium 1109, able to tolerate high hydrogen pressures and high ammonia concentration derived by aminoacids degradation, suggest that a more complex syntrophic community is established in lignin-cellulose-enriched substrates; this evidence may help the development of new strategies to optimize the anaerobic digestion process of these kind of biomasses.
Uncertainty and decision-making in Critical Care: lessons from managing COVID-19 ARDS for the next pandemic
Authors: Matsumoto Kenki , Prowle John , Puthucheary Zudin , Cecconi Maurizio , Fazzini Brigitta , Malcolm Hannah , Nydahl Peter , Osman Magda , Santini Alessandro , Schaller Stefan , Thomson William , Berk Danielle van den , de Poll Marcel van , Stephens Timothy
Published: March 2024

Purpose
COVID-19 ARDS was an emergent syndrome that led to high volumes of critically ill ventilated patients. We explored influences on decision-making regarding management of COVID-19 ARDS mechanical ventilation to identify modifiable factors to improve preparedness for future pandemics.
Methods
A systematic review of existing literature and small group interviews informed the development of an international questionnaire (UK, Italy, Germany and Netherlands) on factors influencing COVID-19 ARDS ventilation decision-making in critical care professionals.
Participants were asked to rank four high-level themes in order of importance: disease (uncertainties around COVID-19 ARDS), contextual (cognitive strain), environmental (structural logistics) and team factors. Participants also ranked the subthemes within each theme. Thematic analysis was used to derive findings from qualitative data. Kruskal-Wallis, Mann-Whitney U and Kendall’s Tau were used for quantitative data analysis.
Results
Patient factors (co-morbidities, clinical and biochemical parameters) were the most heavily studied influences in the literature on decision-making regarding organ support, whereas uncertainty was one of the least explored subthemes. In total, 371 critical care professionals from 4 professional groups in 4 countries responded to the questionnaire. Disease uncertainty (lack of applicable guidelines and unfamiliarity with pathophysiology) was ranked as the most important influence on ventilation decision-making for COVID-19 ARDS across regions, professions and experience levels. This was followed by team, then contextual, then environmental factors (p<0.001). Participants were underconfident in their decision-making (median score: 9 out of 20), and this was unaffected by experience (p=0.79) or profession (p=0.58). Higher disease certainty, however, led to increased confidence (p<0.001). Major influences on disease uncertainty were the pathophysiology and natural history of COVID-19 ARDS, information sharing and experience over time. Modifiable influences on disease uncertainty were positive team factors and resource limitations.
Conclusion
Future pandemic preparedness programmes should target modifiable influences such as information sharing, teamworking and resource limitations to mitigate against the negative influence of uncertainty and thereby improve decision-making overall.
Epidemiology of upper limb skin and soft tissue infections requiring surgical intervention in Saskatoon, Canada: A retrospective chart review
Authors: Yanko Emma J , Miller Rachel L , Ramadan Retaj H , Groot Gary , Thomson Chris
Published: March 2024

Background: Skin and soft tissue infections (SSTIs) are a leading cause of hospital admission and engagement with the health care system amongst people who inject drugs (PWID). The current study aims to describe the epidemiology of SSTIs requiring surgical intervention in Saskatoon, Canada.
Methods: This retrospective chart review assessed patients with a primary diagnosis of upper limb SSTIs requiring surgical intervention at St. Paul’s Hospital and Royal University Hospital (Saskatoon, Canada) between January 1 and December 31, 2020.
Results: 38 eligible patients with a median age of 34 years and M:F of 21:17 were identified. 31 (81.6%) smoked cigarettes and 19 (50.0%) used intravenous drugs. A majority of SSTIs were unilateral infections involving the hand 22 (57.9%) or upper arm 11 (28.9%). Ten (26.3%) patients had a prior SSTI requiring surgical management. Necrotizing fasciitis was diagnosed in 7 (18.4%) patients, two of which, required amputation of the affected hand or arm. The median length of hospital stay was 6 days (IQR: 4 – 14.5). Ten patients left the hospital against medical advice, before completion of treatment; of these patients, 8 (80.0%) were PWID.
Conclusion: Harm reduction strategies may help address the rising incidence and recurrence of SSTIs in the injection drug use population. Involvement of addiction services and social work during hospital admission may reduce the rate of patient-directed discharge, facilitating the completion of treatment. Furthermore, increased access to needle exchange programs in the community may reduce the number of SSTIs caused by contaminated injection equipment in the PWID population.
Dermatology Education in U.S. Ophthalmology Residency: A Survey of the Program Directors
Authors: Fan Winnie , Nekoonam Rojina , Ramanathan Saras , Twigg Amanda
Published: March 2024

Background
Many ocular conditions have associated dermatological findings. However, the inclusion of dermatology education in U.S. Ophthalmology residency programs remains limited. This study aims to characterize dermatology education in U.S. ophthalmology residency programs through the opinions of program directors (PDs).
Method
The authors designed and electronically distributed a national survey in August 2022 to PDs of 124 ophthalmology residency programs. The survey instruments examined the availability and characteristics of dermatology rotation, the PDs’ perceptions of such rotation, and their perspectives on trainees’ dermatology knowledge. Descriptive statistics were used to summarize survey responses. Sample t-tests were used to compare responses between PDs from programs with and without dermatology rotation.
Results
49 PDs (39.5%) responded to the survey. Most programs (n = 27 [61.4%]) did not offer dermatology rotations and, of these programs, most (n = 15 [83.3%]) did not consider increasing dermatology exposure important. 57.1% (n = 8) of PDs at residency programs with dermatology rotation considered such education beneficial for their trainees. PDs at programs with dermatology rotation rated their residents to be more comfortable with shave biopsy than those from programs without (P < 0.05).
Conclusion
Dermatology rotations were uncommon among U.S. ophthalmology residencies. Perceptions towards dermatology education varied among PDs, with those from programs with dermatology rotation expressing more favorable opinions.
EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency
Authors: Fan Zhiguang , Yang Yuedong , Xu Mingyuan , Chen Hongming
Published: March 2024

Despite recent advancement in 3D molecule conformation generation driven by diffusion models, its high computational cost in iterative diffusion/denoising process limits its application. Here, an equivariant consistency model (EC-Conf) was proposed as a fast diffusion method for low-energy conformation generation. In EC-Conf, a modified SE (3)-equivariant transformer model was directly used to encode the Cartesian molecular conformations and a highly efficient consistency diffusion process was carried out to generate molecular conformations. It was demonstrated that, with only one sampling step, it can already achieve comparable quality to other diffusion-based models running with thousands denoising steps. Its performance can be further improved with a few more sampling iterations. The performance of EC-Conf is evaluated on both GEOM-QM9 and GEOM-Drugs sets. Our results demonstrate that the efficiency of EC-Conf for learning the distribution of low energy molecular conformation is at least two magnitudes higher than current SOTA diffusion models and could potentially become a useful tool for conformation generation and sampling.
Study on pyrolysis law of shale gas oil-based drilling cuttings : kinetics and product characteristics
Authors: Liu Pu , Li wei , T Ruifeng , Zhongbin LIU , Zhang Bi
Published: March 2024

oil-based cuttings(OBDC)is a typical hazardous waste produced in the process of shale gas field development, and pyrolysis has been proved to be an effective treatment method, that can recover the harmful components and achieve resource reuse. In this paper, thermogravimetric experiments were carried out to study the pyrolysis kinetics, and the effects of pyrolysis temperature on the gas phase yield, oil quality and solid phase heavy metal migration were analyzed. The results show that the pyrolysis of OBDC is divided into three stages, and the light hydrocarbon cracking stage is the key control step of the pyrolysis process. In addition, the maximum weight loss rate of the sample with high heating rate appears at a higher temperature. Friedman (FM), Flynn-Wall-Ozawa (FWO), Kissinger-Akahira-Sunose (KAS), Starink conversion methods can well fit the weight loss curve, and the estimated average activation energy is 185.5,184.16,166.17 and 176.03 kJ / mol, respectively. The estimated values are close and more accurate. The activation energy increases with the deepening of the reaction process. The solid phase products after pyrolysis accounted for more than 70% of the main products. The pyrolysis temperature had a great influence on the liquid phase yield, and the oil phase yield decreased by 1.17% from 450°C to 500°C. In the recovered mineral oil before and after pyrolysis: C15 ~ C28 pyrolysis C10 ~ C14 increased by 2.89%, C15 ~ C28 volatilization decreased by 3.26%, and high temperature aging increased C29 ~ C36 by 0.63%; aromatic hydrocarbons, as the coking parent, change from low ring to high ring. In addition, the content of heavy metals in the residue increased after pyrolysis, and more heavy metals were enriched in the residue. This study is helpful for the solidification of heavy metals and the recycling of solid waste, which is conducive to reducing energy and resource consumption and improving the processing technology of production.
JCPyV Infection is Highly Prevalent in UTUC: Implications for Oncogenic Factors and Pathological Staging
Authors: Chao Chun‐Nun , Hung Chi-Feng , Lai Wei‑Hong , Tung Chun-Liang , Yeh Wan-Yun , Yang Kai-Wu , Wang Meilin , Lai Ya-Yan , Chen Pei-Lain , Shen Cheng-Huang
Published: March 2024

Background
Upper tract urothelial carcinoma (UTUC) is a subtype of urothelial carcinoma that shares similarities with bladder cancer but is more aggressive. Human polyomaviruses (HPyVs) have been found in UTUC; however, the association of the viral large T antigen (LT) protein and the tumor suppressor protein, p53, post-infection with the clinical characteristics of UTUC remains unclear. This study aimed to investigate the prevalence of the JC polyomavirus (JCPyV) and BK polyomavirus (BKPyV) in UTUC and their correlation with cancer progression among the southwest Taiwanese population from 2020 to 2022.
Methods
A total of 72 paraffin-embedded UTUC tissue samples and 41 adjacent normal tissue samples were collected from 72 patients. Nested polymerase chain reaction and DNA sequencing were used to detect viral DNA and genotypes. Immunohistochemistry was used to detect the expression of early protein LT and cellular p53 protein.
Results
The overall prevalence of HPyVs was higher in UTUC samples than in normal tissue samples (65.3% [47/72] vs 17.1% [7/41]). Among the UTUC samples with HPyVs, JCPyV and BKPyV were detected in 62.5% (45/47) and 2.8% (2/47) of the samples, respectively. JCPyV-TW-3 was the predominant strain of JCPyV infection. In UTUC samples, the LT protein positivity rate was 65.3%, and the p53 protein was prevalent in 45.8%. JCPyV infection increased the risk of UTUC by 9.13-fold, and this increased by another 9.13-fold with LT protein expression. The risk of UTUC was higher by 7.83-fold in those with p53 expression and by 8.58-fold in those with co-expression of LT and p53. Compared with males, females had a 5.19-fold higher probability for both JCPyV infection and LT expression. The probability of LT and p53 co-expression was 4.15-fold higher in females. Patients aged ≥ 65 years had a 2.98-fold higher probability of p53 expression. In the advanced stages, the probability of virus-induced LT expression was 3.18-fold higher, and the probability of LT and p53 co-expression was 2.86-fold higher.
Conclusions
JCPyV infection is highly prevalent in UTUC, and the concurrent high expression of LT and p53 can be a useful biomarker for treatment and prognosis.
Physiological Impact of N95 Masks on Obese Operating Room Staff: A Randomized Crossover Trial
Authors: 犬牙 川宇 , 钡 燕哲 , 高 袁磊 , 刘 余 , 杨 绍中
Published: March 2024

Background
Obesity and mask both may increase the cardiopulmonary burden on medical staff. The physiological impact of surgical masks (SMs) and N95 masks on obese operating room staff remains uncertain. This study aimed to determine whether wearing N95 masks for 4 hours significantly affected physiological indices in obese medical staff compared to surgical masks (SMs).
Methods
In this randomized controlled two-phase crossover trial, the physiological impacts of wearing SMs and N95 masks for 4 hours was analysed among 20 obese operating room staff. The primary outcome was the change in venous carbon dioxide partial pressure (PvCO2) levels at 4-hour intervention. Secondary outcomes included venous oxygen pressure (PvO2), bicarbonate (HCO3−) and pH levels at 4-hour intervention, end-tidal carbon dioxide partial pressure (PetCO2), peripheral oxygen saturation (SpO2), respiratory rate (RR), pulse rate (PR) and blood pressure (BP) at immediately, 1 h, 2 h, 3 h, and 4 h after mask wear. Dyspnoea, palpitations, headache were assessed with the visual analogue scale (VAS) score. Linear mixed models were used for comparative analysis.
Results
Twenty participants (age 32.2 [6.0] years; BMI 32.8 [2.1] kg/m2; 45% female) completed the study. Compared with the no-mask condition, both SM and N95 masks wearing for 4 hours caused PvCO2, HCO3−, PetCO2, and RR levels increased slightly in obese operating room staff. N95 masks had a statistically significant rather than clinically significant impact on PvCO2 (mean [95% CI], 1.4 [0.8, 1.9], P < 0.001) and RR (0.6 [0.1, 1.1)], P = 0.023) compared with SM. There was no significant difference between the two types of masks in terms of PvO2, pH, SpO2, PR, and BP. The three subjective VAS scores gradually increased over wear time. After more than 2 hours, the N95 group showed significantly increased than SM group.
Conclusion
Obese operating room staff continuously wearing SM or N95 masks 4 hours showed almost no difference in physiological impacts. It is recommended to wear N95 masks under high-risk conditions for better protection.
Clinical trial registration: NCT05950256.
Synthesis and molecular docking of novel indazole derivatives with DFT studies
Authors: Gopi Bandaru , Vijayakumar Vijayaparthasarathi
Published: March 2024

A series of 3-carboxamide indazoles (8a-8z) has been synthesized using an amide coupling technique. The derivatives were described using various spectroscopic methods such as 1H NMR, 13C NMR, IR, MASS spectral data. Density function theory (DFT) calculations revealed that compounds 8a, 8c, and 8s had the largest energy gaps among all the compounds. The study also included testing of AutoDock4 and the graphical user interface of Auto-Dock Tools, which identified three derivatives—8v, 8w, and 8y—with the maximum binding energy.
Role of TRPC6 in apoptosis of skeletal muscle ischemia/reperfusion injury
Authors: Xie Dong-Ge , Li Jun-Hao , Zhong Yun-Long , Han Han , Zhang Jia-Ji , Zhang Zhong-Qing , Li Shou-Tian
Published: March 2024

Background
Skeletal muscle ischaemia-reperfusion injury (IRI) is a prevalent condition encountered in clinical practice, characterised by muscular dystrophy. Owing to limited treatment options and poor prognosis, it can lead to movement impairments, tissue damage, and disability. This study aimed to determine and verify the influence of transient receptor potential canonical 6 (TRPC6) on skeletal muscle IRI, and to explore the role of TRPC6 in the occurrence of skeletal muscle IRI and the signal transduction pathways activated by TRPC6 to provide novel insights for the treatment and intervention of skeletal muscle IRI.
Methods
In vivo ischaemia/reperfusion (I/R) and in vitro hypoxia/reoxygenation (H/R) models were established, and data were comprehensively analysed at histopathological, cellular, and molecular levels, along with the evaluation of the exercise capacity in mice.
Results
By comparing TRPC6 knockout mice with wild-type mice, we found that TRPC6 knockout of TRPC6 could reduced skeletal muscle injury after I/R or H/R, of skeletal muscle, so as therebyto restoringe some exercise capacity inof mice. TRPC6 knockdown can reduced Ca2+ overload in cells, therebyo reducinge apoptosis. In additionAdditionally,, we also found that TRPC6 functionsis not only a key ion channel involved in skeletal muscle IRII/R injury, but also can affects Ca2+ levels and then phosphatidylinositol 3-kinase/protein kinase B/mammalian target of rapamycin (PI3K/Akt/mTOR) signalling pathway. by knocking downTherefore, knockdown of TRPC6, so as to alleviated the injury inducedcaused by skeletal muscle I/R or and H/R.
Conclusions
These findingsdata indicate that the presence of TRPC6 exacerbatescan aggravate the injury of skeletal muscle injury after I/Rischemia/reperfusion, leading towhich not only causes Ca2+ overload and apoptosis., Additionally, it impairsbut also reduces the self- repair ability of cells by inhibiting the expression of the PI3K/Akt/mTOR signalling pathway. ETo exploringe the function and role of TRPC6 in skeletal muscle maycan presentprovide a novelew approachidea for the treatment of skeletal muscle IRIischemia/reperfusion injury.
A cross-sectional survey to assess the knowledge, attitude and practices regarding genetic disorders and testing among non-genetic clinicians of Armed Forces, India
Authors: Das Gourab , Kumar Pramod , Chauhan Lakshita , Kumar Amit , Dwivedi Aradhana
Published: March 2024

Field of genetics is undergoing rapid advances, with availability of multiple genetic tests in clinical practice. Patients with genetic disorders are mostly attended by non-genetic clinicians. Sufficient knowledge about genetics amongst non-genetic clinicians is required for good clinical practice. The objective of this study was to assess the knowledge, attitude and practices regarding genetic disorders and testing among non genetic clinicians of Armed Forces, India. An online survey of non genetic clinicians of Indian Armed Forces was conducted followed by statistical analysis. Total 262 non-genetic clinicians took part in this survey. Most respondents are well aware of genetic disorders, need for genetic testing and counseling. However, non-geneticist clinicians find it difficult to choose appropriate genetic tests. Moreover, most of the respondents are not versed with advances in the field viz. next generation sequencing technologies etc. Similar to other regions worldwide, there exist a gap in knowledge of genetic disorders and testing amongst non genetic clinicians. The gap further hampers the best clinical practices.
Performance Analysis of RIS-assisted 6G Vehicular Networks with NOMA under Diverse Channel Conditions
Authors: Shah Hetal , Patel Dhaval , Thumar Vinay , Ding Zhiguo , Sun Sumei
Published: March 2024

The evolution of vehicular networks towards sixth-generation (6G) applications necessitates meeting the stringent requirements of low latency, high spectrum efficiency, and ubiquitous connectivity. This paper proposes leveraging re-configurable intelligent surfaces (RISs) in tandem with non-orthogonal multiple access (NOMA) as a promising solution to address these demands. We investigate the performance of NOMA in RIS-assisted vehicular networks from both theoretical and practical perspectives under diverse channel conditions including line-of-sight (LOS) and non-line-of-sight (NLOS). Conventionally, the performance of vehicular networks has been evaluated by assuming that the channels between the BS, RIS, and vehicles are identically distributed, which is not realistic in practice. Therefore, this paper evaluates the outage probability , ergodic rate, and sum rate performance of RIS-enabled vehicular NOMA networks over independent but not identically distributed (i.n.i.d) Nakagami-m 1 fading channels. Analytical expressions for the cumulative distribution function of LOS and NLOS channels from the BS to the RIS and from the RIS to the vehicles are derived by taking into consideration the i.n.i.d channel characteristics. The obtained channel characteristics are then used to procure closed-form expressions for the outage probability and ergodic capacity as well as simplify the expressions of the outage probability and ergodic capacity for asymptotic analysis at a high signal-to-noise ratio. The presented analytical and simulation results demonstrate that incorporating RIS with a higher number of reflecting elements can significantly improve the outage and rate performance of vehicular networks.
Perianal abscess after incision: is it time to rethink our practice?
Authors: Alam Amine , Fathallah Nadia , Aubert Manuel , Benfredj Paul , Pommaret Elise , de Parades Vincent
Published: March 2024

Background Perianal abscess management varies between the French and Anglo-Saxon schools, with the former advocating immediate fistula treatment to prevent recurrence, while the latter suggests simple incision due to a purported low recurrence rate. This study aimed to evaluate the outcomes and predictive factors associated with perianal abscess management in our department.
Methods In 2019, 109 patients presenting with a first perianal abscess were included in the study, excluding those with specific criteria. Treatment involved incision under local anesthesia, possibly combined with antibiotic therapy using amoxicillin/clavulanic acid for five days. Patients with obvious signs of fistula were scheduled for immediate surgery. The primary objective was to assess the rate of patients requiring surgical management of fistula and/or experiencing abscess recurrence, with secondary objectives including the identification of predictive factors.
Results Among the 336 patients who consulted for an abscess, 109 were included, with a mean age of 43 years and 74% being men. Of these, 55 underwent incision alone, while 54 had anal fistula surgery after incision. The mean follow-up for patients with incision alone was approximately 30 months, during which 18% experienced abscess recurrence. Univariate logistic regression analysis revealed smoking and absence of antibiotic therapy post-incision as predictive of recurrence. Gender, age, BMI, diabetes, Crohn's disease, HIV infection, prior NSAID use, and abscess location were not predictive. Multivariate analysis was not conducted due to insufficient data.
Conclusions This study demonstrates that 41% of patients who underwent incision for a first perianal abscess did not experience recurrence during the follow-up period. Additionally, the administration of antibiotic therapy post-incision was associated with a reduced likelihood of recurrence. However, randomized trials are warranted to validate these findings and specify the optimal antibiotic regimen.
A multilevel analysis of Inclusive leadership and innovative behavior among primary and junior teachers: evidence from China
Authors: Bao Yuangen
Published: March 2024

Teacher innovation is an essential requirement for the education system to adapt to the evolving demands of contemporary society. Although previous studies have confirmed the positive impact of inclusive leadership on employees'innovative behavior, the underlying mechanism of this effect remains incomplete. Therefore, drawing upon the social cognitive theory, this study aims to comprehensively examine the mediating effects of teachers' psychological empowerment and school innovation climate on the relationship between inclusive leadership and innovative behavior among primary and junior teachers. A total of 358 valid questionnaires were administered to primary and junior teachers in mainland China using a convenience sampling approach. The data was analyzed using two-level hierarchical linear modeling and bootstrap testing. The results indicate that principal inclusive leadership significantly accounts for the variance in teacher innovative behavior. Furthermore, teachers' psychological empowerment and school innovation climate serve as mediating mechanisms, with the former playing a pivotal role. The findings enhance our understanding of the mechanisms underlying inclusive leadership's influence on employees' innovative behavior, thereby facilitating the cultivation innovative teacher.