bluuebunny/crossref_metadata_2025_split huggingface dataset:
Where You Protonate Matters: Deciphering the Unimolecular Chemistry of Protonated Myrcene and Linalool
Authors: Buenger Edgar White , Mayer Paul M. 
Published: October 2024

ABSTRACTThe unimolecular reactions of protonated myrcene and linalool were investigated by collision‐induced dissociation and density functional theory calculations. Experiments on a triple quadrupole mass spectrometer showed that protonated myrcene undergoes two major unimolecular reactions losing propene and isobutene, and two minor reactions of ethene and propane loss. In each case, the product ion consists of a substituted five‐member ring. Protonation of myrcene was found to form four distinct protomers, three of which can be significantly populated in the ion source. The observed fragmentation reactions were calculated and found to depend on the starting protomer. Each pathway consisted of several hydrogen‐migration and ring‐forming/opening steps on the way to the observed products. Likewise, protonation of linalool also produces three distinct protomers, with the global minimum being formed by protonation of a central double bond. The major reaction is water loss to form protonated myrcene, but two minor channels were also observed resulting in loss of acetone and isobutene. The calculated minimum energy reaction pathways were found to be consistent with the relative abundances of the ions in the experimental breakdown diagrams.
Failure and complication rates following meniscal all‐inside and inside‐out repairs: A systematic review and meta‐analysis
Authors: Villarreal‐Espinosa Juan Bernardo , Berreta Rodrigo Saad , Pallone Lucas , Rubin Jared , Allende Felicitas , Gómez‐Verdejo Fernando , Khan Zeeshan A. , Carpenter Melissa , Allahabadi Sachin , Chahla Jorge 
Published: October 2024

AbstractPurposeThis study examines failure rates, complication rates and patient‐reported outcome measures (PROMs) for meniscal all‐inside (AI) and inside‐out (IO) repair techniques.MethodsA systematic search was conducted on PubMed, Embase and Cochrane (inception to January 2024) assessing for Level I–III studies evaluating outcomes after meniscal repair. The primary outcome regarded differences in failure rates between AI and IO repair techniques. Secondary outcomes included a comparison of complication rates and PROMs. Quality assessment was performed using the Grading of Recommendations Assessment, Development and Evaluation and Methodological Index for Non‐Randomized Studies criteria. A meta‐analysis was conducted for outcomes reported by more than three comparative studies.ResultsA total of 24 studies (13 studies and 912 menisci for AI vs. 17 studies and 1,117 menisci for IO) were included. The mean follow‐up ranges were 22–192 months (AI) and 18.5–155 months (IO). The overall reported AI failure rate ranged from 5% to 35% compared to 0% to 25% within the IO group. When comparing meniscal repair failure rates in the setting of concomitant anterior cruciate ligament reconstruction, the AI group had a failure rate (AI: 5%–34%; IO: 0%–12.9%). The complication rate ranged from 0% to 40% for AI and 0% to 20.5% for IO. Post‐operative PROM scores ranged from 81.2 to 93.8 (AI) versus 89.6 to 94 (IO) for IKDC and 4.0–7.02 (AI) versus 4.0–8.0 (IO) for Tegner. Upon pooling of six comparative studies, a significantly lower failure rate favouring the IO technique was observed (15.9% AI vs. 11.1% IO; p = 0.02), although this result was influenced by a study with a predominantly elite athlete population. Moreover, no significant differences were found regarding complication rates between cohorts (7.3% AI vs. 4.8% IO; p = 0.86).ConclusionThe present study underscores comparable clinical success between AI and IO meniscal repair techniques, with both techniques demonstrating similar complication rates. However, the AI repair technique was associated with 1.77 times higher odds of failure compared to the IO cohort.Level of EvidenceLevel III.
Landscape and Soil Erosion Changes Along Different Types of Road Over the Past 30 Years in the Largest Loess Tableland of China
Authors: Yang Siqi , Jin Zhao , Hao Mingkui , Jiang Chengcheng , Han Hao , An Zhisheng , Tarolli Paolo 
Published: October 2024

ABSTRACTRoad construction, as a product of modern civilization, can alter landscape patterns and accelerate erosion, especially in the loess tableland area of China with fragile eco‐environment. Different types of road could change land surface and increased soil erosion in different ways, while knowledge about this topic is limited. In this study, our objective is to evaluate the landscape and soil erosion changes along different types of road in the largest loess tableland of China. Results showed that: (1) The land use type became more diverse along the three types of road in 1990–2020, leading to increased landscape fragmentation and spatial heterogeneity. (2) Different types of road had different proportions of soil erosion values. In the expressway and provincial road, the proportion of low soil erosion values (below 100 t ha−1 yr−1) was > 70% in 1990–2020; in the national road, the proportion of low erosion values (below 100 t ha−1 yr−1) was > 50%. (3) In 1990–2020, soil erosion increased with the increase of road‐induced landscape fragmentation along the three types of road. For the expressway, soil erosion value increased from 91.5 to 98.5 t ha−1 yr−1 between 1990 and 2020; for the national road, soil erosion value increased from 174.5 to 184.8 t ha−1 yr−1; and for the provincial road, soil erosion value increased from 93.7 to 97.1 t ha−1 yr−1. (4) Effective soil and water conservation programs could mitigate erosion. Compared with the simulated soil erosion value, the actual soil erosion value decreased along the expressway, national road, and provincial road by 1.21, 3.67, and 2.96 t ha−1 yr−1, respectively, between 2005 and 2020. This study emphasizes the importance of road in aggravating erosion and the effectiveness of soil and water conservation programs in mitigating soil erosion within the loess area.
Accelerating a learning public health system: Opportunities, obstacles, and a call to action
Authors: Tenenbaum Jessica D. 
Published: October 2024

AbstractIntroductionPublic health systems worldwide face increasing challenges in addressing complex health issues and improving population health outcomes. This experience report introduces the concept of a Learning Public Health System (LPHS) as a potential solution to transform public health practice. Building upon the framework of a Learning Health System (LHS) in healthcare, the LPHS aims to create a dynamic, data‐driven ecosystem that continuously improves public health interventions and policies. This report explores the definition, benefits, challenges, and implementation strategies of an LPHS, highlighting its potential to revolutionize public health practice.MethodsThis report employs a comparative analysis approach, examining the similarities and differences between an LPHS and an LHS. It also identifies and elaborates on the potential benefits, challenges, and barriers to implementing an LPHS. Additionally, the study investigates promising national initiatives that exemplify elements of an LPHS in action.ResultsAn LPHS integrates data from diverse sources to inform knowledge generation, policy development, and operational improvements. Key benefits of implementing an LPHS include improved disease prevention, evidence‐informed policy‐making, and enhanced health outcomes. However, several challenges were identified, such as interoperability issues, governance concerns, funding limitations, and cultural factors that may impede the widespread adoption of an LPHS.ConclusionsImplementation of an LPHS has the potential to significantly transform public health practice. To realize this potential, a call to action is issued for stakeholders across the public health ecosystem. Recommendations include investing in informatics infrastructure, prioritizing workforce development, establishing robust data governance frameworks, and creating incentives to support the development and implementation of a LPHS. By addressing these key areas, public health systems can evolve to become more responsive, efficient, and effective in improving population health outcomes.
TFE Terpolymers: Once Promising – Are There Still Perspectives in the 21st Century? Part II: Processing, Properties, Applications
Authors: Ok Salim , Steinhart Martin , Améduri Bruno 
Published: October 2024

AbstractTetrafluoroethylene (TFE) terpolymers have emerged as advantageous substitutes for polytetrafluoroethylene (PTFE). Therefore, they are being considered as alternatives to PTFE in many application areas. The advantages of TFE terpolymers include their facile processability at elevated temperatures, their solubility in some polar organic solvents, their inertness against aqueous acids, aqueous bases and a large number of mostly nonpolar organic solvents, their low dielectric constant, their low refractive index as well as useful electro‐ and thermochemical properties. This review on TFE terpolymers focuses on their processing including shaping and surface modification as well as on selected properties including wettability, dielectric properties, mechanical response behavior, chemical stability, and degradability. Applications including their use as elastomeric sealing material, liner and cladding layer as well as their use as material for membranes, microfluidic devices, photonics, photovoltaics, energy storage, energy harvesting, sensors, and nanothermitic composites will be discussed. The review concludes with a discussion of the future potential of TFE terpolymers and scientific challenges to be addressed by future research on TFE terpolymers.
Metabolic activities of marine ammonia‐oxidizing archaea orchestrated by quorum sensing
Authors: Pereira Olivier , Qin Wei , Galand Pierre E. , Debroas Didier , Lami Raphael , Hochart Corentin , Zhou Yangkai , Zhou Jin , Zhang Chuanlun 
Published: October 2024

AbstractAmmonia‐oxidizing archaea (AOA) play crucial roles in marine carbon and nitrogen cycles by fixing inorganic carbon and performing the initial step of nitrification. Evaluation of carbon and nitrogen metabolism popularly relies on functional genes such as amoA and accA. Increasing studies suggest that quorum sensing (QS) mainly studied in biofilms for bacteria may serve as a universal communication and regulatory mechanism among prokaryotes; however, this has yet to be demonstrated in marine planktonic archaea. To bridge this knowledge gap, we employed a combination of metabolic activity markers (amoA, accA, and grs) to elucidate the regulation of AOA‐mediated nitrogen, carbon processes, and their interactions with the surrounding heterotrophic population. Through co‐transcription investigations linking metabolic markers to potential key QS genes, we discovered that QS molecules could regulate AOA's carbon, nitrogen, and lipid metabolisms under different conditions. Interestingly, specific AOA ecotypes showed a preference for employing distinct QS systems and a distinct QS circuit involving a typical population. Overall, our data demonstrate that QS orchestrates nitrogen and carbon metabolism, including the exchange of organic metabolites between AOA and surrounding heterotrophic bacteria, which has been previously overlooked in marine AOA research.
Design of a multicenter randomized controlled trial of a post‐discharge suicide prevention intervention for high‐risk psychiatric inpatients: The Veterans Coordinated Community Care Study
Authors: Weinstock Lauren M. , Bishop Todd M. , Bauer Mark S. , Benware Jeffrey , Bossarte Robert M. , Bradley John , Dobscha Steven K. , Gibbs Jessica , Gildea Sarah M. , Graves Hannah , Haas Gretchen , House Samuel , Kennedy Chris J. , Landes Sara J. , Liu Howard , Luedtke Alex , Marx Brian P. , Miller Aletha , Nock Matthew K. , Owen Richard R. , Pigeon Wilfred R. , Sampson Nancy A. , Santiago‐Colon Alejandro , Shivakumar Geetha , Urosevic Snezana , Kessler Ronald C. 
Published: October 2024

AbstractBackgroundThe period after psychiatric hospital discharge is one of elevated risk for suicide‐related behaviors (SRBs). Post‐discharge clinical outreach, although potentially effective in preventing SRBs, would be more cost‐effective if targeted at high‐risk patients. To this end, a machine learning model was developed to predict post‐discharge suicides among Veterans Health Administration (VHA) psychiatric inpatients and target a high‐risk preventive intervention.MethodsThe Veterans Coordinated Community Care (3C) Study is a multicenter randomized controlled trial using this model to identify high‐risk VHA psychiatric inpatients (n = 850) randomized with equal allocation to either the Coping Long Term with Active Suicide Program (CLASP) post‐discharge clinical outreach intervention or treatment‐as‐usual (TAU). The primary outcome is SRBs over a 6‐month follow‐up. We will estimate average treatment effects adjusted for loss to follow‐up and investigate the possibility of heterogeneity of treatment effects.ResultsRecruitment is underway and will end September 2024. Six‐month follow‐up will end and analysis will begin in Summer 2025.ConclusionResults will provide information about the effectiveness of CLASP versus TAU in reducing post‐discharge SRBs and provide guidance to VHA clinicians and policymakers about the implications of targeted use of CLASP among high‐risk psychiatric inpatients in the months after hospital discharge.Clinical trials registrationClinicalTrials.Gov identifier: NCT05272176 (https://www.clinicaltrials.gov/ct2/show/NCT05272176).
The High Diagnostic Yield of Prenatal Exome Sequencing Followed by 3400 Gene Panel Analysis in 629 Ongoing Pregnancies With Ultrasound Anomalies
Authors: Diderich Karin E. M. , Bruggenwirth Hennie T. , Joosten Marieke , Thurik Florentine , Mijalkovic Jona , Polak Marike , Kromosoeto Joan , Somers‐Bolman Galhana M. , van den Born Myrthe , Drost Mark , Galjaard Robert Jan H. , Galjaard Sander , Hoefsloot Lies H. , Knapen Maarten F. C. M. , van Minkelen Rick , van der Schoot Vyne , van Slegtenhorst Marjon A. , Sleutels Frank , Stuurman Kyra E. , Weerts Marjolein J. A. , Go Attie T. J. I. , Wilke Martina , Srebniak Malgorzata I. 
Published: October 2024

ABSTRACTBackgroundThe aim of this study was to evaluate the diagnostic yield of routine exome sequencing (ES) in fetuses with ultrasound anomalies.MethodsWe performed a retrospective analysis of the ES results of 629 fetuses with isolated or multiple anomalies referred in 2019–2022. Variants in a gene panel consisting of approximately 3400 genes associated with multiple congenital anomalies and/or intellectual disability were analyzed. We used trio analysis and filtering for de novo variants, compound heterozygous variants, homozygous variants, X‐linked variants, variants in imprinted genes, and known pathogenic variants.ResultsPathogenic and likely pathogenic variants (class five and four, respectively) were identified in 14.0% (88/629, 95% CI 11.5%–16.9%) of cases. In the current cohort, the probability of detecting a monogenetic disorder was ∼1:7 (88/629, 95% CI 1:8.7–1:5.9), ranging from 1:9 (49/424) in cases with one major anomaly to 1:5 (32/147) in cases with multiple system anomalies.ConclusionsOur results indicate that a notable number of fetuses (1:7) with ultrasound anomalies and a normal chromosomal microarray have a (likely) pathogenic variant that can be detected through prenatal ES. These results warrant implementation of exome sequencing in selected cases, including those with an isolated anomaly on prenatal ultrasound.
Does cognitive function affect functional capacity and perceived fatigue severity after exercise in patients with coronary artery disease?
Authors: Saklıca Dilara , Vardar‐Yağlı Naciye , Ateş Ahmet Hakan , Yorgun Hikmet 
Published: October 2024

AbstractBackground & ObjectiveSuccessful execution of exercise‐based cardiac rehabilitation programs, an important branch of physiotherapy in individuals with coronary artery disease (CAD), depends on adequate cognitive abilities. It has been identified that coronary microvascular dysfunction, marked by reduced coronary flow reserve, is associated with impaired cerebral blood flow, affecting haemodynamic and cognitive performance. This study aimed to investigate how cognitive function influences functional capacity and differences in fatigue perception in CAD patients.MethodsFifty CAD patients, with an average age of 59.40 ± 6.58 years, were evaluated for comorbidities (Charlson comorbidity index), number of CAD risk factors (hypertension, diabetes mellitus, dyslipidaemia, smoking, and physical inactivity), cognitive performance (Montreal cognitive assessment scale [MoCA]), functional capacity (incremental shuttle walk test [ISWT]), exercise‐induced fatigue (Modified Bourg Scale), and physical activity (PA) levels (international physical activity questionnaire‐short form).ResultsAnalyses focused on the links between MoCA scores and CRF, ISWT outcomes, and differences in fatigue perception. Findings revealed a strong positive link between MoCA scores and ISWT performance (r = 0.83, p < 0.001), and a strong inverse relationship between CRF and MoCA scores (r = −0.95, p < 0.001). In addition, MoCA score was positively correlated with differences in fatigue perception (r = 0.88, p < 0.001).ConclusionThese results highlight the critical role of cognitive function in determining functional capacity and managing fatigue in CAD patients. They also suggest that cognitive interventions may be a potential adjunctive approach in physiotherapy programmes.
Mott Transitions: A Brief Review
Authors: Laad Mukul S. , Craco Luis 
Published: October 2024

AbstractThis short review provides an overview of some aspects of the current understanding of Mott insulators and Mott metal‐insulator transitions. The development of this field is traced, from earliest classical views to the state‐of‐the‐art picture based on methods of quantum field theory. A quasi‐local view point, characterizing “pure” Mott physics, throughout this article is focused on. Following an extensive discussion on Mott transitions in one‐ and multi‐orbital Hubbard models, progress is reviewed in first‐principles correlation‐based approaches in achieving a quantitative description of insulator‐metal transitions in two celebrated Mott materials. Building thereupon, success of such approaches in providing microscopic justification for the famed Mott criterion, as well as in the attempts to model emerging devices is reviewed briefly. The study is concluded with a discussion of a class of Mott insulators modeled by the Kugel‐Khomskii model, and discuss how progress in the understanding of novel quantum liquid‐crystal‐like order provides an attractive opportunity to gain insight into topologically ordered states and topological‐to‐trivial phase transitions for certain quantum spin models in terms of a dual description in terms of Landau‐like symmetry breaking.
Bilothorax as an endoscopic retrograde cholangiopancreatography complication and a review of the literature
Authors: Azam Hamza , Guliyara Mohammed Affan , Roy Bapti 
Published: October 2024

AbstractBilothorax, the accumulation of bile in the pleural space, is an uncommon but serious condition often linked to biliary tract or diaphragmatic injury. This case report describes a 70‐year‐old female with decompensated liver cirrhosis due to primary sclerosing cholangitis, who developed a moderate sized pleural effusion following ERCP and biliary stenting. The patient's pleural effusion persisted for 2 months without respiratory symptoms, indicating a self‐limited low‐volume leak. She eventually underwent thoracentesis for a non‐resolving unilateral effusion, which drained 435 mL of bilious fluid with an elevated pleural fluid bilirubin level, confirming the diagnosis of bilothorax. This case highlights the importance of considering bilothorax as a cause of pleural effusion in patients with biliary tract disease and who undergo high risk procedures including ERCP.
The impact of dietary interventions on polycystic ovary syndrome patients with a BMI ≥25 kg/m2: A systematic review and meta‐analysis of randomized controlled trials
Authors: Yang Juan , Liang Jiahui , Xu Jinbang , Lin Tong , Ye Qiaoling , Lin Qiuping , Ji Feng , Shi Dan 
Published: October 2024

AbstractBackgroundDietary interventions, recommended as a primary approach globally, benefit women with polycystic ovary syndrome (PCOS) by inducing weight loss and improving clinical symptoms, metabolism, and pregnancy results. However, the impact of diet on PCOS in individuals with BMI ≥ 25 kg/m2 is unclear. The aim of this review was to offer dietary guidance for these patients.MethodsSix databases, CNKI, Wanfang, VIP, PubMed, Cochrane Library, and Web of Science, were searched systematically from inception to December 2023 for clinical randomized controlled trials (RCT) on dietary interventions for PCOS. Two researchers independently screened and extracted data following pre‐defined inclusion criteria, with bias assessment using the Cochrane Handbook and Review Manager (version 5.4) software.ResultsNine RCTs with 559 participants were included. Among women with PCOS and obesity, compared to the control group, individuals who underwent dietary interventions experienced improvements in weight‐related Indicators, glycolipid metabolism, hormone‐related indicators, and fertility‐related outcomes. Subgroup analysis indicated that calorie‐restricted diets (CRDs) and low‐energy–low‐carb combined diets had advantages over other dietary interventions. Moreover, the overweight period was the optimal intervention period.ConclusionsDietary interventions can improve the clinical manifestations of PCOS and pregnancy rates in patients with a BMI ≥ 25 kg/m2. Particularly, CRDs, low‐calorie–low‐carb combined diets, and low‐calorie–extract combined diets are recommended.
Unlocking Potential Catalysts: A Machine Learning Approach with Bayesian and Regression Models
Authors: Chowdhury Chandra 
Published: October 2024

AbstractDue to their excellent catalytic efficiency, endurance, adaptability, and unusual structure, single‐atom alloys are an important category of materials with huge potential for efficiently utilising rare and costly metals in catalytic applications. Since no two of these materials are alike, designing a catalyst for each presents its own set of special challenges. The development of catalysts can be sped up with the use of machine learning, however conventional machine learning approaches frequently necessitate large datasets and costly feature engineering. In addition, these approaches frequently have difficulty juggling competing aims and constraints as they expand their search space. This research makes use of Bayesian optimisation (BO) to help in the identification of effective catalysts. Even with as few as 5 starting data points from costly density functional theory (DFT) computations results, our BO workflow is able to quickly and accurately discover the best single‐atom alloy surfaces. Not only that for the applicability of our model on other systems, we have chosen dataset comprises transition metal surfaces as well and found suitable performances which further validates the universality of our model. Our BO model outperforms a random search technique on many different adsorption systems by making use of simple, easily accessible features. Apart from BO, we have also designed other regressor models for searching the best catalyst and interestingly we found that for a small sample size where generating data is very difficult, K‐Nearest Neighbour regressor (KNR) outperforms BO. This research not only unlocks the potential of this BO as well as regressor models in catalysis research but also lays down a robust foundation for future work aiming to optimize material selection based on adsorption characteristics.