bluuebunny/crossref_metadata_2025_split huggingface dataset:
On a drift‐diffusion model for perovskite solar cells
Authors: Glitzky Annegret 
Published: October 2024

AbstractWe introduce a vacancy‐assisted charge transport model for perovskite solar cells. This instationary drift‐diffusion system describes the motion of electrons, holes, and ionic vacancies and takes into account Fermi–Dirac statistics for electrons and holes and the Fermi–Dirac integral of order for the mobile ionic vacancies in the perovskite. The free energy functional we work with corresponds to that choice of the statistical relations. To verify the existence of weak solutions, we consider a problem with regularized state equations and reaction terms on any arbitrarily chosen finite time interval. We motivate its solvability by time discretization and passage to the time‐continuous limit. A priori estimates for the chemical potentials that are independent of the regularization level ensure the existence of solutions to the original problem. These types of estimates rely on Moser iteration techniques and can also be obtained for solutions to the original problem.
An explicit time integration method for Boussinesq approximation
Authors: Rueda Castillo Dandy , Kaya Utku , Richter Thomas 
Published: October 2024

AbstractThis paper presents a novel approach to the discretization of the Boussinesq equation using finite elements, coupled with an explicit pressure correction scheme. The entire numerical scheme is formulated exclusively in terms of matrix‐vector products, enabling a highly efficient numerical solution. The key advantage of this approach lies in its suitability for fast computations and seamless parallelization on graphics processing units (GPUs). We present the numerical scheme and discuss different computational examples.
Low‐rank approximations of frequency‐limited discrete‐time Gramians
Authors: Kürschner Patrick 
Published: October 2024

AbstractWe consider the approximate computation of Gramians of large‐scale linear discrete‐time state‐space systems. Of particular interest are the Gramians which arise in frequency‐limited balanced truncation model order reduction. While there are many results for the continuous‐time situation, the discrete‐time scenario is usually considered to a much lesser extent. The Gramians are solutions of discrete‐time Lyapunov matrix equations (also called Stein matrix equations) which, if the reduction is restricted to smaller frequency intervals, also incorporate matrix functions in the form of matrix logarithms. We discuss the efficient numerical handling of these matrix function as well as the computation of low‐rank Gramian approximation by rational Krylov subspace and related iterative methods.
Catatonia in Intellectual Disability: A Case Discussion Exploring Confounding Factors and Challenges in Diagnosis
Authors: Gibbard Harriet , Cole Jenny , Varnish Ella , Muthukrishnan Sabarigirivasan 
Published: October 2024

ABSTRACTThe rare psychiatric phenomenon of catatonia has recently been decoupled from schizophrenia in the ICD‐11 and DSM‐V and is now a stand‐alone syndrome. This article explores a complex case of catatonia in intellectual disability, considering a broad array of differential diagnoses for the underlying pathology. The authors also explore evolutionary theories of catatonia and consider the compounding factors resulting in delayed diagnosis and treatment.
Olanzapine‐Induced Pedal Oedema With Delayed Resolution: A Case Report and Review of Literature
Authors: Ogungbemi Oluwabunmi , Alex Rajesh K. 
Published: October 2024

ABSTRACTOlanzapine can have a better impact on negative symptoms of schizophrenia with reduced motor side effects compared to other atypical antipsychotics, according to some literature. Here, the authors describe a case of a woman with a diagnosis of schizophrenia who developed the rare side effect of bilateral pedal oedema while on oral olanzapine. The possible mechanism behind the condition and the clinical management measures taken to resolve the oedema is discussed.
Tailoring the Mechanical Properties and Foaming Behaviors of PLA/P4HB Blends by Using P4HB‐g‐GMA as Compatibilizer
Authors: Li Mingjiao , Chen Xinyi , Feng Qiyang , Fan Wanyi , Ding Yitong , Kan Ze , Li Zhibo 
Published: October 2024

ABSTRACTSynthetic poly(4‐hydroxybutyrate) (P4HB), a flexible and biodegradable polymer, shows great promise in improving the toughness of poly(lactic acid) (PLA), but the inherent immiscibility of PLA and P4HB compromises the toughening efficiency. To address this issue, P4HB grafted glycidyl methacrylate (P4HB‐g‐GMA) is synthesized for the purpose of enhancing the compatibility within the PLA/P4HB blend. The epoxy groups on P4HB‐g‐GMA can form strong chemical bonds with PLA chains and remain compatible with P4HB. Rheological data confirm that adding P4HB‐g‐GMA enhances polymer chain entanglement. Therefore, the phase interface of the blend becomes more diffuse, leading to improved mechanical performance. Specifically, a 3D‐printed PLA/P4HB/P4HB‐g‐GMA blend containing 8% P4HB‐g‐GMA (PLA/P4HB/G8) achieves an elongation at break of 161.5%, approximately 22.7 times higher than that of a PLA/P4HB blend without the modifier. Moreover, the PLA/P4HB/G8 blends show a higher volume expansion ratio (VER) and better cell morphology due to the increased melt strength from P4HB‐g‐GMA. This study demonstrates a simple and efficient method to improve the compatibility between PLA and P4HB, resulting in superior mechanical performance of PLA/P4HB blends and broadening their potential applications in foaming.
Effects of Mobile Application‐Based Cognitive Behavioral Therapy on Psychological Outcomes in Women Treated for Breast Cancer: A Randomized Controlled Pilot Trial in Germany
Authors: Heinrich Ria , Schilling Georgia , Wojtyna Ewa , Arnold Dirk , Geisler Mareike , Kley Susanne , Grudzinski Piotr , Księżak Małgorzata , Schoenfelder Tonio 
Published: October 2024

ABSTRACTObjectiveBreast cancer has a strong impact on the mental state of those affected. Cognitive behavioral therapy (CBT) is one effective approach to reduce disease burden. This randomized controlled pilot trial aimed to assess the effect of the digital CBT‐based application Living Well on psychological outcomes in a German female breast cancer population.MethodsFemale breast cancer patients (n = 70) with ongoing or finished oncological treatment that is who were receiving or had received any type of oncological treatment were included in the study and randomized to an intervention group (IG, n = 32) receiving Living Well in addition to care as usual, and a control group (CG, n = 38) receiving care as usual only. Participants completed standardized questionnaires at baseline and after 2, 4, 8, and 12 weeks to assess anxiety and depression (HADS) as primary outcomes, distress (DT), health‐related quality of life (HRQoL, AQoL‐8D), and illness perception (B‐IPQ) as secondary outcomes.ResultsAfter 12 weeks, significant (p < 0.05) higher improvements in the IG could be observed in anxiety levels, HRQoL, and illness perception, when compared to the CG. Age and time since diagnosis were found to be relevant covariates for anxiety levels. In distress levels, the IG showed a clinically relevant and nearly significant reduction compared to the CG (p = 0.057). No effects could be observed in depression levels.ConclusionsThe results demonstrate the potential of Living Well to improve psychological outcomes of female breast cancer patients and encourage further studies evaluating the effectiveness of the digital application.Trial Registration: The trial has been registered in the German Clinical Trials Register (DRKS00029918)
Recent Advances (2018–2023) and Research Opportunities in the Study of Groundwater in Cold Regions
Authors: Lemieux Jean‐Michel , Frampton Andrew , Fortier Philippe 
Published: October 2024

ABSTRACTIncreasing greenhouse gas levels drive extensive changes in Arctic and cold‐dominated environments, leading to a warmer, more humid, and variable climate. Associated permafrost thaw creates new groundwater flow paths in cold regions that are causing unprecedented environmental changes. This review of recent advances in groundwater research in cold environments has revealed that a new paradigm is emerging where groundwater is at the center of these changes. Groundwater flow and associated heat and solute transport are now used as a basis to understand hydrological changes, permafrost dynamics, water quality, integrity of infrastructure along with ecological impacts. Although major advances have been achieved in cold regions' cryohydrogeological research, the remaining knowledge gaps are numerous. For example, groundwater as a drinking water source is poorly documented despite its social importance. Lateral transport processes for carbon and contaminants are still inadequately understood. Numerical models are improving, but the highly complex physical‐ecological changes occurring in the arctic involve coupled thermal, hydrological, hydrogeological, mechanical, and geochemical processes that are difficult to represent and hamper quantitative analysis and limit predictive capacity. Systematic long‐term observatories where measurements involving groundwater are considered central are needed to help resolve these research gaps. Innovative transdisciplinary research will be critical to comprehend and predict these complex transformations.
Improving implementation and team communication by integrating a cystic fibrosis transition readiness (CF R.I.S.E.) program into electronic health records
Authors: Enochs Catherine , Filbrun Amy G. , Hjelm Michelle , Lehrmann Julie , Mullen Lisa , Packard Rebeca , Roach Jessica , Saulitis Anna K. , Nasr Samya Z. 
Published: October 2024

AbstractBackgroundThe cystic fibrosis (CF) Responsibility. Independence. Self‐care. Education. (R.I.S.E.) program was developed to provide assessment and education, supporting transition readiness for people with cystic fibrosis (pwCF). Lack of integration within electronic health records (EHR) was a barrier to implementation of CF R.I.S.E. University of Michigan was able to integrate CF R.I.S.E. into EHR.AimTo improve implementation and EHR documentation of CF R.I.S.E. module completion by pwCF across two (CF) programs from baseline (10.5%) to 75% per month in 6 months (January through June 2023).MethodsTwo CF programs utilized quality improvement (QI) methods and tools and ad hoc support by a CF Learning Network (QI) specialist. Eligibility included pwCF ≥16 years old seen in CF clinics who accepted CF R.I.S.E. participation. Beginning January 2, 2023, programs met in biweekly, virtual meetings to discuss implementation. Deidentified data were collected monthly tracking modules completed by pwCF and number of team members engaging with CF R.I.S.E. and documenting in EHR. Data timelines were baseline (November–December 2022), project period (January–June 2023), and post‐project (July–December 2023).ResultsCompletion rates increased from baseline (10.5%) to 48% (range 33% to 81%) through December 2023. During the project, an average 7.7 team members completed an average 19.2 modules per month. Post‐project, an average 8 team members completed an average 16.5 modules per month.ConclusionsThis collaboration demonstrated how utilization of EHR allowed for successful CF R.I.S.E. improvement at both programs. Shared software utilization and QI initiatives may be a way to facilitate timely dissemination of best practices through learning health systems.
Artists' satisfaction with telerehabilitation in physiotherapy during the COVID‐19 pandemic: A cross‐sectional study
Authors: Jiang Coco , de Youngster Sesinam , Hawkins Vicki , Li Shelly‐Anne 
Published: October 2024

AbstractBackground and PurposeTo our knowledge, there is currently no research on telerehabilitation concerning artists. This study aims to assess the feasibility, acceptability, and effectiveness of utilizing video‐based telerehabilitation in physiotherapy among artists during the COVID‐19 pandemic.MethodsFifty‐one artists who accessed virtual physiotherapy between November 2020 and February 2022 at a healthcare center that provides specialized healthcare services to artists of all disciplines who reside or work in Ontario, Canada were asked to complete a 26‐item online questionnaire about their experience with virtual physiotherapy.ResultsThe 51 respondents were from a range of artistic disciplines, with the largest portion being musicians (n = 22; 43%). Of the respondents, 86% (n = 44) felt the virtual physiotherapy met their expectations in therapeutic benefits, 78% (n = 40) were confident in performing all the exercises that the physiotherapist demonstrated on the virtual platform, 80% (n = 41) did not run into many technological challenges when booking or attending virtual sessions, and 54% (n = 20) reported similar treatment outcomes between virtual and in‐person sessions. Although artists liked the convenience of accessing physiotherapy from home, 53% (n = 17) of respondents rated the lack of physical contact as a major limitation in telerehabilitation.ConclusionTelerehabilitation for artists during the COVID‐19 pandemic has shown potential to be an effective and viable alternative to in‐person physiotherapy, as demonstrated by high satisfaction levels and comparable treatment outcomes, especially when public health restrictions were in place. Future research can explore hybrid models (mix of in‐person and virtual sessions) in physiotherapy to meet the needs for physical contact during sessions.
Bridging the Technology Gap for Cost‐Effective and Sustainable Treatment of Per‐ and Polyfluoroalkyl Substances in Surface Water and Stormwater
Authors: Gamlin Jeff D. , Javed Hassan , Newell Charles J. , Stockwell Emily , Caird Renee , Scalia Joseph , Navarro Divina , Awad John 
Published: October 2024

ABSTRACTThis article addresses the urgent need for cost‐effective and sustainable methods to mitigate per‐ and polyfluoroalkyl substances (PFAS) contamination in surface water and stormwater. Although the majority of PFAS research and development to date has focused on groundwater and soil treatment technologies, in some cases there may be a greater risk posed by the high mobility and potential for direct contact with PFAS in surface water and stormwater. Based on the evolving regulatory landscape and the elevated PFAS concentrations observed in available stormwater data near some fire training facilities, additional attention to this topic is needed to support the development of effective and practical treatment technologies for PFAS in surface water and stormwater. We propose addressing the need to bridge the current technology gap between (1) expensive mechanical and/or construction‐intensive technologies and (2) the development of cost‐effective and sustainable surface water and stormwater PFAS treatment options. We envision a future where nature‐based approaches could be employed for stand‐alone PFAS treatment. Alternatively, nature‐based approaches could be used for initial PFAS mass removal as a pretreatment step within a treatment train followed by engineered adsorbents or other technologies, if needed to achieve low concentration cleanup thresholds. We provide an example of a potential nature‐based treatment train that would rely on the natural propensity of PFAS to accumulate in surface water foams using foam‐enhancing weirs and flumes (FWFs), combined with the demonstrated treatment potential of constructed floating wetlands (CFWs). Additional research into the validation, optimization, and site‐specific design factors of nature‐based treatment trains, such as the FWF+CFW approach, warrants future research and development.
A methodology for prioritizing sustainable development goals targets at the local level: The case of Barcelona City Council
Authors: Urquijo‐Reguera Julia , Illán Sailer José Carlos , Trobat Llompart Miquel , Canal Oliveras Ramon 
Published: October 2024

AbstractThe implementation of the 2030 Agenda relies heavily on the active involvement of local governments. The concept of “Localization”—the process of adapting and customizing the SDGs and translating them into local development plans and strategies—has gained prominence as governments address emerging challenges, necessitating innovative approaches. Practical insights from local governments are essential for guiding others in this process. A key debate focuses on “prioritization,” emphasizing the need to focus on a specific set of SDG targets based on available resources, the local government's experience with sustainable policies or the normative framework in which it operates. Prioritization is crucial to prevent fragmentation of efforts that could hinder the local government's contribution to the 2030 Agenda. This paper aims to introduce a methodology for prioritizing SDG targets within local governments. Using a multicriteria analysis tool, the paper shows the process undertaken by the Barcelona City Council to cluster the SDG targets around four priority groups based on four criteria: (i) distance to the goal, (ii) strategic coverage, (iii) normative competence, and (iv) budgetary effort. The prioritization approach contributes to a better monitoring and evaluation process to assess progress towards the SDGs and enhance collaborative efforts across municipal policy and management levels. The findings provide valuable insights and serve as a reference for other local governments aiming at contributing to the 2030 Agenda. The approach is adaptable and can be applied to different subnational governments by tailoring to their specific scope and requirements of the context of application.
Metal Ions Modified Azo‐Linked Porous Polymers for High Performance CO2 Capture
Authors: Pei Bo , Chu Dongdong , Huang Jiajia 
Published: October 2024

AbstractPorous polymer show great potential for CO2 capture owing to its high specific surface area, adjustable porous structure and chemical structure. Herein, a novel CO2 adsorption materials ALP−M (M: Cu2+, Mg2+, Ni2+) were prepared through coordination between azo‐linked porous polymer (ALP) synthesized by oxidative coupling polymerization of tris(4‐aminophenyl)amine and metal ions. The structures and morphology of as‐prepared materials were demonstrated by FT‐IR, XRD, XPS, BET and SEM, the CO2 capture performance and mechanism of ALP−M were also investigated through static adsorption and column adsorption experments, the results show that metal ions can enhance the CO2 adsorption and desorption performance of ALPs by coordination adsorption. ALP−M showed a highest static CO2 adsorption capacity of 2.67 mmol g−1 at 273 K (1 bar), which is 35.5 % higher than that of ALP. The metal ions served as Lewis acid sites can enhance the affinity of adsorbent for CO2. In column adsorption experiments, the ALP−M showed a higher saturated adsorption capacity 4.99 mmol g−1 at 273 K (1 bar) than that of static adsorption, and excellent cycling stability after 500 adsorption and desorption cycles, the adsorption capacity retention rate of ALP−M for CO2 can reach 98 %.
In Silico Screening of FDA‐Approved Anthelmintic Drugs Against LuxR Protein as Quorum‐Sensing Inhibitors and Exploration of Their Binding Mechanism and Electronics Properties
Authors: Paswan Uttam , Basak Hriday Kumar , Saha Soumen , Chatterjee Abhik 
Published: October 2024

AbstractTreating bacterial infections triggered by multidrug‐resistant bacteria is a global priority. Issue of multidrug resistance can be managed by inhibiting bacterial quorum sensing mechanism. Quorum‐sensing inhibitors (QSIs) are promising alternatives to antibiotics. Herein, a library of FDA‐approved anthelmintic medications was screened using in silico techniques for LuxR protein associated with the quorum‐sensing (QS) mechanism of Staphylococcus aureus. Drug repurposing can reduce the time and financial risk of drug development. Seven FDA‐approved drugs (Fenbendazole, Mebendazole, Flubendazole, Praziquantel, Oxyclozanide, Rafoxanide, and Albendazole) showed strong binding affinity to the LuxR protein with binding free energy less than −6.00 kcal/mol. Molecular dynamic simulation (100 ns) of the docked complexes revealed that Fenbendazole and Rafoxanide remain at the binding pocket of the LuxR protein most of the time. During the whole simulation period, backbone of all seven complexes displayed small fluctuation in the RMSD and Rg. The free energy landscape of LuxR–Rafoxanide and LuxR–Fenbendazole complexes showed promising stability compared to the rest of the complexes. Both the complexes showed excellent MMPBSA binding free energy: −92.882 ± 15.636 kJ/mol (LuxR–Rafoxanide) and −74.873 ± 9.233 kJ/mol (LuxR–Fenbendazole). The reactivity of the ligands was ascertained from their DFT‐based various descriptors.
Simple and Highly Sensitive Electrochemical Sensor for Sunset Yellow Detection Based on Co3O4/g‐C3N4 Nanocomposite Modified Gold Electrode
Authors: Sundaresan Sumi , Sowmya Subramanian , Vijaikanth Vijendran 
Published: October 2024

AbstractSunset Yellow (SY) is an azo dye used in various food and pharmaceutical industries that deserves special attention because of its allergic and carcinogenic properties. Recently, electrochemical techniques have come to the spotlight because of their high sensitivity, simplicity and rapidity as compared to other techniques. In this work, we have developed a cost‐effective and stable electrochemical sensor by a simple method using Vitamin B12‐derived cobalt oxide coupled with g‐C3N4 (V12‐CoO/gCN) modified Au electrode. The composite prepared for the sensor was characterized using techniques such as FTIR, Powder XRD, SEM analysis, EDAX, and mapping. For electrochemical sensing of the dye Sunset Yellow, CV, DPV, and LSV techniques have been used, out of which DPV shows a better detection limit of 1.39 nM followed by LSV and CV that displayed detection limits of 3.3 nM and 4.14 nM respectively. When 5 real samples obtained from the local market are analyzed using the DPV technique, the detection limit is obtained in the range between 2.1 nM and 6.9 nM. This method leads to the development of an electrochemical sensor for the detection of Sunset Yellow to get a lower detection limit that can be used in food toxicology and related fields.
Phytochemical Analysis and Anti‐inflammatory Potential of Floscopa Scandens Lour. and Exploring Ecdysterone as Promising Therapeutic Agent: An HR‐LCMS Screening and Molecular Docking Analysis
Authors: Nambaaru Sailaja , Sahu Preeti Nanda , Katta Sunitha , Ganapavarapu Veera Raghava Sarma , Kancharla Bhanukiran , Sen Anik 
Published: October 2024

AbstractThis study delved into the exploration of bioactive constituent profiling of Floscopa scandens Lour. by using HRLC‐MS. The plant is well‐known as a folklore herb. It is extensively utilized in traditional medicine to address various ailments such as fractures, sore eyes, fevers, abscesses, pyoderma, and acute nephritis. This study aimed to explore the phytochemical composition of F. scandens and assess the anti‐inflammatory activity of the ecdysterone marker compound by molecular docking studies followed by MD simulations. Extracts were prepared using hexane, chloroform, and methanol solvents. Chromatographic techniques were applied to isolate compounds from the methanol extract, which underwent phytochemical screening via HR‐LCMS. Functional groups were assessed using NMR and Fourier transform infrared (FTIR), confirming the presence of bioactive compounds. HR‐LCMS analysis identified 21 phytoconstituents in the methanolic fraction, with ecdysterone being a prominent component characterized through spectroscopic techniques. Our findings confirm known molecules while unveiling new bioactive constituents, particularly highlighting the potential of ecdysterone as a novel chemical entity. Molecular docking and molecular dynamic simulation analysis further show the anti‐inflammatory properties of ecdysterone with various enzymes in the body.