bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular docking and molecular dynamics simulation of wheat gluten‐derived antioxidant peptides acting through the Keap1–Nrf2 pathway
Authors: Liu Wenying , Liu Rui , Qin Qingyu , Wang Hualei , Zhang Xinxue , Meng Ganlu 
Published: June 2024

AbstractBACKGROUNDIn our previous study, we successfully identified five peptides from wheat gluten: Ala‐Pro‐Ser‐Tyr (APSY), Leu‐Tyr (LY), Pro‐Tyr (PY), Arg‐Gly‐Gly‐Tyr (RGGY) and Tyr‐Gln (YQ). Molecular docking and molecular dynamics simulation methods were employed to investigate the interaction between these antioxidant peptides and the Kelch‐like ECH‐associated protein 1 (Keap1 protein), revealing the molecular mechanism of their non‐competitive binding. In addition, the total antioxidant capacity of the five peptides was determined using the 2,2′‐azinobis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS) method.RESULTSThe affinities of APSY, LY, PY, RGGY and YQ were −8.9, −8.3, −8.5, −9.1 and − 7.9 kcal mol−1, respectively. The five peptides effectively bound to Keap1 protein through hydrogen, π‐σ, π‐alkyl and alkyl interactions. Significant roles were observed for the P1 pocket residue ARG‐415 and the P3 pocket residue ALA‐556 in the interactions of the Keap1–peptide complexes. Molecular dynamics simulations further elucidated the dynamic process of peptide binding to the Keap1 protein. All five peptides formed stable complexes with Keap1 protein, with van der Waals forces playing crucial roles in these complex systems, indicative of the peptides' strong binding ability to Keap1 protein. The van der Waals forces were −178.74, −123.11, −134.36, −132.59, and −121.44 kJ mol−1 for the Keap1–APSY, Keap1–LY, Keap1–PY, Keap1–RGGY and Keap1–YQ complexes, respectively. These peptides exhibited excellent antioxidant effects. Among them, the YQ peptide exhibited the highest total antioxidant capacity, with an activity value of 1.18 ± 0.06 mmol Trolox equivalent (TE) L−1 at a concentration of 0.10 mg mL−1. The RGGY, PY, LY and APSY peptides followed in descending order, with activity values of 0.91 ± 0.05, 0.72 ± 0.06, 0.62 ± 0.04 and 0.60 ± 0.05 mmol TE L−1, respectively.CONCLUSIONThese results unveiled the molecular mechanism by which the five antioxidant peptides act on active pockets through the Keap1–Nrf2 signaling pathway, providing a theoretical basis for the development of antioxidants. © 2024 Society of Chemical Industry.
Reliability of artificial intelligence chatbot responses to frequently asked questions in breast surgical oncology
Authors: Roldan‐Vasquez Estefania , Mitri Samir , Bhasin Shreya , Bharani Tina , Capasso Kathryn , Haslinger Michelle , Sharma Ranjna , James Ted A. 
Published: June 2024

AbstractIntroductionArtificial intelligence (AI)‐driven chatbots, capable of simulating human‐like conversations, are becoming more prevalent in healthcare. While this technology offers potential benefits in patient engagement and information accessibility, it raises concerns about potential misuse, misinformation, inaccuracies, and ethical challenges.MethodsThis study evaluated a publicly available AI chatbot, ChatGPT, in its responses to nine questions related to breast cancer surgery selected from the American Society of Breast Surgeons' frequently asked questions (FAQ) patient education website. Four breast surgical oncologists assessed the responses for accuracy and reliability using a five‐point Likert scale and the Patient Education Materials Assessment (PEMAT) Tool.ResultsThe average reliability score for ChatGPT in answering breast cancer surgery questions was 3.98 out of 5.00. Surgeons unanimously found the responses understandable and actionable per the PEMAT criteria. The consensus found ChatGPT's overall performance was appropriate, with minor or no inaccuracies.ConclusionChatGPT demonstrates good reliability in responding to breast cancer surgery queries, with minor, nonharmful inaccuracies. Its answers are accurate, clear, and easy to comprehend. Notably, ChatGPT acknowledged its informational role and did not attempt to replace medical advice or discourage users from seeking input from a healthcare professional.
Decadal warming has intensified Microcystis‐dominated cyanobacterial blooms in Lake Erie
Authors: Gobler Christopher J. , Di Cecco Grace J. , Doherty Owen M. , Kramer Benjamin J. 
Published: June 2024

AbstractCyanobacterial harmful algal blooms (CHABs) are increasingly common in freshwater ecosystems and are often associated with climate change. Here, we used two independent high‐resolution surface temperature records (1995–2022) and temperature‐dependent growth rates of Microcystis to evaluate changes in these CHABs in Lake Erie. The potential mean seasonal growth rate of Microcystis and the duration of the Microcystis bloom season have both significantly increased within the western basin of Lake Erie since 1995. Trends were strongest in the far western region of Lake Erie including Maumee Bay which receives the largest point source of nutrients in the Lake and where the Microcystis bloom season has expanded by up to 1 month. In contrast, warming trends in bloom‐free portions of central and eastern Lake Erie have been more muted. We conclude that increasing water temperature is an important factor facilitating the intensification of these, and likely other, CHABs, and is thus promoting an expanding public health threat.
Appendicular lean mass index and motor function in ambulatory patients with Duchenne muscular dystrophy
Authors: Kiefer Michael , Townsend Elise , Goncalves Celina , Shellenbarger K. Courtney , Gochyyev Perman , Wong Brenda L. 
Published: June 2024

AbstractIntroduction/AimsAppendicular lean mass index (ALMI) has been linked to motor function in patients with Duchenne muscular dystrophy (DMD). However, quantification of the relationship between ALMI and disease‐specific clinical outcome assessment trajectories is needed. The purpose of this study was to determine associations between dual‐energy x‐ray absorptiometry (DXA) derived estimates of ALMI and motor function in ambulatory patients with DMD.MethodsA retrospective analysis of longitudinal clinical visit data from 137 glucocorticoid‐treated patients with DMD collected via structured motor assessment protocol evaluated associations between ALMI and motor function indexed by the North Star Ambulatory Assessment (NSAA) and 10 Meter Walk/run Test (10MWT). Body composition was assessed using DXA. ALMI was calculated by dividing arm and leg lean mass by height in m2; fat mass index (FMI) was calculated by dividing whole body fat mass by height in m2. Linear mixed‐effects models were used to estimate associations between ALMI and motor function, controlling for age and FMI.ResultsThe full prediction model (age, age,2 ALMI, and FMI) explained 57% of the variance in NSAA scores and 63% of the variance in 10MWT speed. A 1 kg/m2 higher ALMI value predicted a 5.4‐point higher NSAA score (p < .001) and 0.45 m/s faster 10MWT speed (p < .001). A 1 kg/m2 higher FMI value predicted a 1.5‐point lower NSAA score (p < .001) and 0.14 meters/second slower 10MWT speed (p < .001).DiscussionDXA‐derived estimates of ALMI and FMI are associated with motor function in DMD and may explain variation in DMD disease progression.
A cops and robber game and the meeting time of synchronous directed walks
Authors: Ben‐Ameur Walid , Maddaloni Alessandro 
Published: June 2024

AbstractIn a previous work, the authors showed that the maximum number of infinitely long synchronous directed walks that never meet is equal to the dimension of the no‐meet matroid, namely the largest order of a collection of vertex‐disjoint cycles. Given , we want to compute the meeting time of walks: the first time step such that, given any set of
walks, at least two of them must meet no later than . We precisely prove that the meeting time is at most , where is the number of vertices. A connection is established with a cops and robber game on directed graphs with helicopter cops and an invisible slow robber. The meeting time of walks equals the capture time in this game, when at most
capture attempts are allowed. While this capture time can be computed in polynomial time, we show that it is NP‐hard to compute the minimum number of cops needed to catch the robber. More insights are also given on the number and its relation to pathwidth and other graph parameters. Finally we analyze these game measures on digraph tensor products.
Elastic constant ratio for fatigue evaluation on rubber isolators
Authors: Luo Robert Keqi 
Published: June 2024

AbstractIn this study, a new concept of the elastic constant ratio was introduced to derive an S‐N base function, which has removed the requirement of the shear modulus to be measured in previous work, allowing much wider applications in fatigue prediction with significant reduction in the costs involved in conducting experiments and acceleration of the design process in industries. In this approach, the damage parameter was the effective tensile stress verified for both positive and negative R ratios (the ratio between the minimum stress and the maximum stress). Existing work only provided a general description of the criterion without detailed explicit equations, which does not provide sufficient clarity to the reader and could lead to variable fatigue life predictions. Here, detailed equations are introduced on the calculation procedure to allow accurate results to be obtained for fatigue assessment. The applicability of the approach was validated using two industrial components, that is, the Metacone spring and the bush spring. The maximum values of the damage parameter corresponded to the same failure locations observed in the experiments. The suggested S‐N base function, correlated with different materials and failure cycles, could be applied in a fatigue design stage and failure analysis for rubber isolators.Highlights
For the first time, an elastic constant ratio is introduced on different rubbers.
There is no additional test required for the material constants to save cost.
The approach is experimentally validated on two industrial isolators.
Monitoring stiffness in tests cannot determine the crack initiation accurately.
A qualitative study of strategies to improve occupational well‐being in physical medicine and rehabilitation physicians
Authors: Amano Alexis , Makowski Maryam S. , Trockel Mickey T. , Menon Nikitha K. , Wang Hanhan , Sliwa James , Weinstein Stuart , Kinney Carolyn , Paganoni Sabrina , Verduzco–Gutierrez Monica , Kennedy David J. , Knowlton Tiffany , Stautzenbach Thomas , Shanafelt Tait D. 
Published: June 2024

AbstractBackgroundPhysiatry is a specialty with high rates of burnout. Although organizational strategies to combat burnout are key, it is also important to understand strategies that individual physiatrists can use to address burnout.ObjectiveTo identify changes that resulted in improvement of occupational well‐being of physiatrists over a 6‐ to 9‐month period.DesignWe employed two quantitative surveys spaced 6 to 9 months apart to identify physiatrists who experienced meaningful improvement in occupational burnout and/or professional fulfillment between the two survey timepoints. These physiatrists were subsequently recruited to participate in a qualitative study using semi‐structured interviews to identify changes that respondents felt contributed to improvements in burnout and professional fulfillment.SettingOnline surveys and interviews.ParticipantsPhysiatrists in the American Academy of Physical Medicine and Rehabilitation (AAPM&R) Membership Masterfile.Main Outcome MeasureBurnout and professional fulfillment were assessed using the Stanford Professional Fulfillment Index.ResultsOne hundred twelve physiatrists responded to the baseline and follow‐up surveys. Of these, 35 were eligible for interviews based on improvements in the Stanford Professional Fulfillment Index, and 23 (64%) agreed to participate. Themes from the qualitative interviews highlighted the importance of personal lifestyle choices, approaches to improve professional satisfaction, and strategies to foster work‐life harmony. Personal lifestyle strategies included investing in wellness and mental health. Efforts to improve professional satisfaction included decreasing work intensity, prioritizing meaningful aspects of work, and building relationships with colleagues. Fostering work‐life harmony also included making trade‐offs in both domains, setting boundaries at work, setting expectations at home, and overcoming personal challenges.ConclusionOur findings illustrate that, in addition to organizational strategies demonstrated to be effective, there are actions that individual physiatrists can take to recover from burnout and foster professional fulfillment.
A reactive flame retardant based on thiadiazole and phosphaphenanthrene for improving the flame retardant and smoke inhibition properties of epoxy resins
Authors: Duan Huajun , Liu Weipeng , Zhang Chenhao , Chen Yuan , Li Ya , Gao Yuan , Zhang Juan , Kang Jin 
Published: June 2024

AbstractIt is difficult to effectively manage the emission of harmful smoke from flame‐retardant modified epoxy resins (EP). In order to solve this difficulty, a highly efficient flame‐resistant PAD containing phosphorus, nitrogen, and sulfur was synthesized using a simply one‐pot method employing 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO), 2‐amino‐5‐mercapto‐1,3,4‐thiadiazole (AMT), and terephthalaldehyde for not only enhancing its flame retardant properties but also effectively suppressing the emission of fumes. Results have confirmed that the incorporation of 5 wt% flame retardant into the EP successfully passed the UL‐94 V‐0 rating, besides 24.2% reduction in the peak of smoke produce rate (PSPR), with outstanding fire‐resistant properties and effectively reduce smoke emissions. In addition, incorporating 7.5% of PAD into EP increased its flexural strength and modulus, from 78.4 and 2917.5 to 86.6 and 3162.9 MPa, respectively. Due to the abundance of reactive groups including sulfhydryl and secondary amine in PAD, as well as the nitrogen atoms presented in the thiadiazole and benzene rings of the phosphaphenanthrene structure, which could create hydrogen bonds with the matrix and participated in π‐π interactions, therefore, the mechanical properties of flame retardant epoxy resin (FREP) were greatly enhanced.
Innovations in the care of childhood interstitial lung disease associated with connective tissue disease and immune‐mediated disorders
Authors: Samad Aaida , Wobma Holly , Casey Alicia 
Published: June 2024

AbstractChildhood interstitial lung disease (chILD) associated with connective tissue and immune mediated disorders is the second most common chILD diagnostic category. As knowledge of the molecular and genetic underpinnings of these rare disorders advances, the recognized clinical spectrum of associated pulmonary manifestations continues to expand. Pulmonary complications of these diseases, including ILD, confer increased risk for morbidity and mortality and contribute to increased complexity for providers tasked with managing the multiple organ systems that can be impacted in these systemic disorders. While pulmonologists play an important role in diagnosis and management of these conditions, thankfully they do not have to work alone. In collaboration with a multidisciplinary team of subspecialists, the pulmonary and other systemic manifestations of these conditions can be managed effectively together. The goal of this review is to familiarize the reader with the classic patterns of chILD and other pulmonary complications associated with primary immune‐mediated disorders (monogenic inborn errors of immunity) and acquired systemic autoimmune and autoinflammatory diseases. In addition, this review will highlight current, emerging, and innovative therapeutic strategies and will underscore the important role of multidisciplinary management to improving outcomes for these patients.
Joint modeling of monocyte HLA‐DR expression trajectories predicts 28‐day mortality in severe SARS‐CoV‐2 patients
Authors: Baudemont Gaelle , Tardivon Coralie , Monneret Guillaume , Cour Martin , Rimmelé Thomas , Garnier Lorna , Yonis Hodane , Richard Jean‐Christophe , Coudereau Remy , Gossez Morgane , Wallet Florent , Delignette Marie‐Charlotte , Dailler Frederic , Buisson Marielle , Lukaszewicz Anne‐Claire , Argaud Laurent , Laouenan Cédric , Bertrand Julie , Venet Fabienne ,   for the RICO study group
Published: June 2024

AbstractThe recent SarsCov2 pandemic has disrupted healthcare system notably impacting intensive care units (ICU). In severe cases, the immune system is dysregulated, associating signs of hyperinflammation and immunosuppression. In the present work, we investigated, using a joint modeling approach, whether the trajectories of cellular immunological parameters were associated with survival of COVID‐19 ICU patients. This study is based on the REA‐IMMUNO‐COVID cohort including 538 COVID‐19 patients admitted to ICU between March 2020 and May 2022. Measurements of monocyte HLA‐DR expression (mHLA‐DR), counts of neutrophils, of total lymphocytes, and of CD4+ and CD8+ subsets were performed five times during the first month after ICU admission. Univariate joint models combining survival at day 28 (D28), hospital discharge and longitudinal analysis of those biomarkers’ kinetics with mixed‐effects models were performed prior to the building of a multivariate joint model. We showed that a higher mHLA‐DR value was associated with a lower risk of death. Predicted mHLA‐DR nadir cutoff value that maximized the Youden index was 5414 Ab/C and led to an AUC = 0.70 confidence interval (95%CI) = [0.65; 0.75] regarding association with D28 mortality while dynamic predictions using mHLA‐DR kinetics until D7, D12 and D20 showed AUCs of 0.82 [0.77; 0.87], 0.81 [0.75; 0.87] and 0.84 [0.75; 0.93]. Therefore, the final joint model provided adequate discrimination performances at D28 after collection of biomarker samples until D7, which improved as more samples were collected. After severe COVID‐19, decreased mHLA‐DR expression is associated with a greater risk of death at D28 independently of usual clinical confounders.
Using an early outcome as the sole source of information of interim decisions regarding treatment effect on a long‐term endpoint: The non‐Gaussian case
Authors: Garcia Barrado Leandro , Burzykowski Tomasz 
Published: June 2024

AbstractIn randomized clinical trials that use a long‐term efficacy endpoint, the follow‐up time necessary to observe the endpoint may be substantial. In such trials, an attractive option is to consider an interim analysis based solely on an early outcome that could be used to expedite the evaluation of treatment's efficacy. Garcia Barrado et al. (Pharm Stat. 2022; 21: 209–219) developed a methodology that allows introducing such an early interim analysis for the case when both the early outcome and the long‐term endpoint are normally‐distributed, continuous variables. We extend the methodology to any combination of the early‐outcome and long‐term‐endpoint types. As an example, we consider the case of a binary outcome and a time‐to‐event endpoint. We further evaluate the potential gain in operating characteristics (power, expected trial duration, and expected sample size) of a trial with such an interim analysis in function of the properties of the early outcome as a surrogate for the long‐term endpoint.
Balancing act: Trade‐offs and synergies within Sustainable Development Goals 1st, 10th, and 13th—Poverty, inequality, and climate actions
Authors: Khan Salim , Yuan Hongping , Hussain Muttahir 
Published: June 2024

AbstractWhile the existing body of research has exhaustively examined several Sustainable Development Goals (SDGs), it fails to adequately reflect the significance of trade‐offs and synergies among the SDGs. This study aims to address the existing gap by doing a complete analysis of the SDGs in developing nations, specifically examining the trade‐off relationship between SDG‐1, pertaining to poverty reduction; SDG‐10, concerning reducing inequality; and SDG‐13, focusing on environmental activities. The analysis encompasses a sample of 40 developing countries. To accomplish this, a Generalized Method of Movement (GMM)‐style Panel‐Vector Autoregressive (PVAR) model is utilized, with carbon emissions (CO2Em) serving as a measure for environmental volatility. The findings confirm the existence of the Environmental Phillips Curve (EPC), which signifies a trade‐off between SDG‐1 (poverty), SDG‐10th (inequality), and SDG‐13th (CO2Em). Additionally, the processes of industrialization, trade, and population expansion have adverse effects on the attainment of SDG‐13. Conversely, industrialization and trade can contribute positively towards SDG‐1. A conventional sys‐GMM model is utilized for the robustness check, supporting the main findings acquired from the GMM‐style PVAR model. Lastly, based on empirical findings, significant policy implications are suggested for the achievement of SGDs.
Fast‐track recovery after surgery for perforated peptic ulcer safely shortens hospital stay: A systematic review and meta‐analysis of six randomized controlled trials and 356 patients
Authors: Zeyara Adam , Thomasson Jacob , Andersson Bodil , Tingstedt Bobby 
Published: June 2024

AbstractBackgroundPostoperative management after surgery for perforated peptic ulcer is still burdened by old traditions. All available data for fast‐track recovery in this setting are either very unspecific or underpowered. The aim of this study was to evaluate fast‐track recovery in this diagnosis‐specific context in a larger sample.MethodsElectronic data sources were searched. Eligible studies were randomized controlled trials (RCTs) comparing fast‐track recovery and traditional management after surgery for perforated peptic ulcer in adults. A systematic review and meta‐analysis was performed. The Preferred Reporting Items for Systematic Reviews and Meta‐Analyses guidelines regulated the process. Quality and risk of bias assessments of individual RCTs were performed by means of the Let Evidence Guide Every New Decision criteria and the Cochrane risk‐of‐bias tool. Primary endpoints were length of hospital stay and risk of complications. Random or fixed effects modeling were applied as indicated. Outcomes were measured by mean difference and risk difference.ResultsSix RCTs with a total cohort of 356 patients were included. Results of our meta‐analysis showed significantly shortened length of hospital stay (mean difference −3.50 days [95% CI ‐4.51 to −2.49], p ≤ 0.00001), significantly less superficial and deep surgical‐site infections (risk differences −0.12 [95% CI −0.20, −0.05], p = 0.002 and −0.03 [95% CI −0.09, 0.03], and p = 0.032, respectively), and significantly fewer pulmonary complications (risk difference −0.10 [95% CI −0.17, −0.03], p = 0.004) in the fast‐track group.ConclusionThis systematic review and meta‐analysis shows that fast‐track recovery after surgery for perforated peptic ulcer significantly shortened hospital stay in the studied cohort without increasing the risk of postoperative complications.