bluuebunny/crossref_metadata_2025_split huggingface dataset:
PFSA‐Ionomer Dispersions to Thin‐Films: Interplay Between Sidechain Chemistry and Dispersion Solvent
Authors: Bird Ashley , Kim Yonsoo , Berlinger Sarah A. , Weber Adam Z. , Kusoglu Ahmet 
Published: January 2025

AbstractIn fuel‐cell catalyst layers (CLs), ionomers exists as nanoscale thin‐films binding catalyst particles, wherein ionic and gaseous species transport to catalyst sites. To improve film function, ionomers have been designed based on the prototypical perfluorosulfonic acid (PFSA). Since CLs are fabricated through solution‐based processing of inks, understanding how ink/dispersion solvent impacts ionomer interactions and function is important to guide future ionomer design. Herein, PFSA and its chemical derivatives are characterized from dispersion (in solvent) to thin film (cast on support) to investigate the impact of solvent water content on ionomer dispersion (structure, acidity) and resulting film properties. Dispersion characterization reveals that secondary aggregate structure depends on the sidechain chemistry, but all PFSA‐based ionomers evolve similarly as dispersion becomes water‐rich. The differences in aggregation alter ionomer adsorption and thin film morphology. Hydrophilic domain spacing and orientation are affected primarily by sidechain chemistry, and modulated by solvent composition. Thin‐film conductivity correlates with hydration and nanodomain alignment, signifying the role of morphology in properties. Overall, this work provides insights into how chemistry can be used to coarse‐tune structure–property relationships, while processing solvent is for fine‐tuning of dispersion‐film interplay for controlling CL‐ionomer function, which can be translated to other chemistries and ink formulations.
Machine learning potential model for accelerating quantum chemistry‐driven property prediction and molecular design
Authors: Wu Guoxin , Zhao Yujing , Zhang Lei , Du Jian , Meng Qingwei , Liu Qilei 
Published: January 2025

AbstractQuantum chemistry (QC) calculations have significantly advanced the development of materials, drugs, and other molecular products. Molecular geometry optimization is an indispensable step for QC calculations. However, its computational cost increases dramatically with increasing molecular system complexity, hindering the large‐scale molecule screening. This work proposes a deep learning‐based molecular potential energy surface prediction tool (DeePEST) to significantly accelerate geometry optimizations. The key of DeePEST involves the development of a novel machine learning potential model for accurate and fast predictions of molecular energy and atomic forces. These predictions enable efficient molecular geometry optimizations for subsequent predictions of QC properties (single‐point energy, dipole moment, HOMO/LUMO, and 13C chemical shifts) and COSMO‐SAC‐based thermodynamic properties (activity coefficient). Moreover, DeePEST facilitates efficient computer‐aided molecular designs that involve QC‐based geometry optimizations. The utilization of DeePEST in geometry optimizations achieves high prediction accuracy approaching to rigorous QC methods while maintaining the computational efficiency of molecular mechanics methods.
Innovation Leading to Improved Safety, Health, and Productivity Is Enabled by Close Collaboration Between Construction Companies and Technology Start‐Ups
Authors: Yildiz Melike , Bigeon‐Bienvenu Stéphanie 
Published: January 2025

ABSTRACTThe transfer of innovation to practice is one of the fundamental challenges of efficient social advancement. Because of its structure, with mostly small employers with limited working capital and short‐term thinking arising from working on time‐limited projects, historically the construction industry has been a slow adopter of technological advances. Now it is faced with a barrage of new technologies that not only can help solve some of the most pressing occupational safety and health needs but at the same time also contribute to productivity improvements. To address this, we—and others—have been finding ways to bring together tech start‐ups and their innovations with construction companies who are willing to put them to use. We present four examples to illustrate how this can be accomplished and discuss the lessons we have learned in doing so.
Multi‐Resonance 1,4‐BN‐Heteroarene for Filterless Narrowband Photodetector
Authors: Gao Rong‐Rong , Chen Cheng , Huang Yan‐Bo , Wang Xiao‐Ye 
Published: January 2025

AbstractAs an emerging class of optoelectronic materials, multi‐resonance (MR) 1,4‐BN‐heteroarenes have been extensively employed as narrowband electroluminescence materials, whereas their absorption feature has largely been neglected. Here we construct the first MR‐molecule‐based phototransistor for filterless narrowband photodetectors (NBPDs) by anchoring narrowband absorption MR molecules on a high‐mobility semiconductor indium‐zinc‐oxide (IZO) film. The resulting device exhibits high‐performance photodetection with a small full‐width at half‐maximum (FWHM) of 33 nm, which represents a new record for NBPDs based on intrinsic narrowband absorbing materials. These results demonstrate the great potential of MR materials as a new molecular platform for developing high‐performance NBPDs.
Enhancement of Solid‐State Lithium‐Ion Batteries Using Zeolitic Imidazolate Framework‐67 in Polyethylene Oxide‐Based Composite Polymer Electrolytes for Improved Ionic Conductivity and Stability
Authors: Wang Xiying , Pang Beili , Kong Lingyi , Zhu Yongqi , Chen Changzhao , Dong Hongzhou , Yu Liyan , Dong Lifeng 
Published: January 2025

ABSTRACTPolyethylene oxide (PEO)‐based polymers are commonly used in solid‐state lithium‐ion batteries, though their high crystallinity at room temperature reduces ionic conductivity. In this research, zeolitic imidazolate framework‐67 (ZIF‐67), with its regular dodecahedral structure, large surface area, and numerous nanoscopic pores, is synthesized and uniformly dispersed into a PEO matrix to create a novel composite polymer electrolyte (CPE). ZIF‐67 effectively reduces PEO crystallinity and enhances the mechanical properties of the electrolyte by disrupting the order structure of the PEO polymer chains. The resulting CPE achieves an ion conductivity of 6.50 × 10−4 S cm−1, and demonstrated high interfacial compatibility and stability with optimized ZIF‐67 content. Furthermore, the LiCoO2/CPE/Li battery exhibits good cycle stability at 0.1 C, with discharge capacities of 130.81, 125.31, and 112.25 mAh/g at 0.1, 0.2, and 0.5 C. Therefore, ZIF‐67 presents a promising strategy for enhancing battery performance and developing high‐performance lithium‐ion batteries.
Segmenting Hotel Guests' Behavior: Insights for Developing Effective Water Conservation Programs
Authors: Sancho‐Esper Franco M. , Sellers‐Rubio Ricardo , Casado‐Diaz Ana Belen , Campayo‐Sanchez Fernando , Rodriguez‐Sanchez Carla , Sanchez Carolina 
Published: January 2025

ABSTRACTThis research underscores the need to modify tourists' behaviors to ensure sustainable water usage in high‐demand destinations. In‐room water conservation of 681 hotel guests was analyzed based on habit, effort, and enjoyment theory (HEET). The analysis reveals four distinct guest clusters based on a combination of cognitive, affective, automated behavior, and consumer identity variables. Water conservation behaviors and attitudes ranged from those of “Environmentally conscious tourists,” who exhibited strong conservation efforts and low hedonic motivations, to those of “Pleasure‐seeking tourists,” who prioritized pleasure over sustainability. The segmentation analysis used the Gaussian finite mixture model for clustering, providing insights into how to tailor social marketing interventions to promote water conservation behavior among guests. This novel segmentation approach fills a gap in the literature by considering non‐cognitive and habitual behaviors. It also provides a practical framework for designing more effective environmental strategies in tourism, particularly in water‐stressed areas.
Cause‐Specific Mortality and Prognostic Impact of Comorbidity in Japanese Patients With Chronic Lymphocytic Leukemia
Authors: Ikeda Daisuke , Nunomura Takuya , Muta Tsuyoshi , Matsue Kosei 
Published: January 2025

ABSTRACTBackgroundDue to its rarity, there are very limited data available on the cause of death (COD) and its association with comorbidities in Japanese chronic lymphocytic leukemia (CLL) patients.MethodsTo investigate the prevalence of comorbidities and their impact on cause‐specific mortality, we retrospectively reviewed 121 Japanese patients with CLL.ResultsThe median age was 69 years, with 47.9% having at least one comorbidity listed in the Charlson Comorbidity Index (CCI), and 12.4% were multimorbid. With a median follow‐up of 74 months, the 5‐ and 10‐year overall survival rates were 80.6% and 60.1%, respectively. Among the 44 deaths observed, CLL progression was the leading COD (38.6%), which together with infections and other malignancies accounted for nearly 80%. Patients with higher CCI risk categories had significantly higher 5‐year all‐cause mortality (CCI 1–2: 22.9% and ≥ 3: 31.4%) and non‐CLL‐specific mortality (CCI 1–2: 18.8% and ≥ 3: 31.4%) compared to those without (CCI 0: 12.6%, p = 0.005; 3.5%, p < 0.001, respectively), whereas CLL‐specific mortality was not influenced. On multivariate analysis, age and CCI retained a significant prognostic impact on all‐cause mortality (hazard ratio [HR] 1.08, p < 0.001 and HR 1.88, p = 0.004, respectively) and non‐CLL‐specific mortality (HR 1.12, p < 0.001 and HR 3.81, p < 0.001, respectively).ConclusionsOur study showed that CLL itself was the leading COD, and comorbidity burden was associated with non‐CLL‐specific deaths. This highlights the importance of better disease control and effective management of comorbidities.
Harnessing from Nature – Evolving Potential of Antimicrobial Peptide
Authors: Liu Songhan , HuiXin EveliasYan , Xing Bengang 
Published: January 2025

AbstractAntimicrobial peptides (AMPs) are recognized as one of the most ancient components of innate immunity, playing a pivotal role as the first line of host defense systems. These evolutionarily conserved molecules have been identified in various organisms, from prokaryotes to humans. AMPs establish a delicate balanced relationship between host and microbes, by simultaneously regulating the biological activities of pathogens and commensal microbes. Given the escalating global concern over antibiotic resistance, there is an urgent need to explore alternative strategies to combat challenging infectious diseases. AMPs have emerged as promising candidates employed in clinical practice due to their sustainable bactericidal properties. Witnessed by deep understanding of AMPs actions toward host and bacteria, the potential applications of AMPs extend far beyond infection control. Emerging developments harnessed natural capabilities of AMPs to optimize their roles in modulating host signaling, treating diverse diseases, advancing biosensing and bioimaging technologies. In this Concept paper, we provide a comprehensive overview of the diversity and properties of AMPs. Additionally, we elaborate on the mechanisms underlying AMP activity and bacterial responses counteracting AMPs’ functions. Most importantly, we discuss potential biomedical applications of AMPs and offer perspectives on their future development.
Anticancer Attributes and Multifaceted Pharmacological Implications of Laetrile and Amygdalin
Authors: Carbone Katya , Sytar Oksana , Sharopov Farukh , Pezzani Raffaele , Romano Raffaele , Santini Antonello , Kieliszek Marek , Khan Tooba , Khan Khushbukhat , Caunii Angela , Habtemariam Solomon , Sharifi‐Rad Javad , Butnariu Monica 
Published: January 2025

ABSTRACTLaetrile, known as vitamin B17, is often used interchangeably with amygdalin. Laetrile is a semi‐synthesis product of amygdalin, whereas amygdalin is a naturally occurring substance in many plants. Both compounds have a nitrile functional group that, when activated by the intestinal enzyme β‐glucosidases, releases hydrogen cyanide. The two compounds have been considered for a long time as alternative therapy for cancer treatment however, findings available in the literature are discordant on the real efficacy of laetrile/amygdalin for the treatment of cancer, often highlighting a negative benefit‐risk ratio. In this regard, the study aimed to comprehensively analyze the scientific data on laetrile/amygdalin, with a special emphasis on their pharmacokinetics, underlying pharmacological properties, mode of action as a potent antitumor agent, and effect on human health. The results showed that there is no clear evidence on the efficacy of cancer therapy following laetrile/amygdalin administration, especially at the clinical trial level. However, the in vitro studies of the biological activity of these compounds showed positive effects related to their antifibrotic, anti‐inflammatory, antiasthmatic, and immunoregulatory processes. Laetrile's mechanism of action closely resembles amygdalin, affecting cancer signaling pathways. However, due to its cyanide toxicity, it was banned by the food and drug administration (FDA) due to safety concerns. Despite not receiving permission from the FDA, laetrile emerged as an alternative therapy in the 1970s. Nonetheless, continuing research is investigating safer methods of activating Laetrile for targeted cancer treatment. This opens interesting prospects in using these compounds in alternative medical therapies, for which, however, further research is needed.
Nonsurgical Treatment of Splenic Abscesses in Patient With Simultaneous Diagnosis of Endocarditis and Crohn's Disease: A Case Report and Literature Review
Authors: Shabani Shiva 
Published: January 2025

ABSTRACTThe spleen is one site for septic emboli in cases of IE but in patients with splenic abscess when the patient has a suspicious history of autoimmune diseases, splenic aseptic abscess must be ruled out before splenectomy.
Endothelial Dysfunction in Acute Myocardial Infarction: A Complex Association With Sleep Health, Traditional Cardiovascular Risk Factors and Prognostic Markers
Authors: Hbaieb Mohamed Ali , Charfeddine Salma , Driss Tarak , Bosquet Laurent , Dugué Benoit , Makni Ahmed , Turki Mouna , Abid Leila , Hammouda Omar 
Published: January 2025

ABSTRACTBackgroundEndothelial function (EndFx) is a core component of cardiovascular (CV) health and cardioprotection following acute myocardial infarction (AMI) treated with primary percutaneous coronary intervention (PCI).HypothesisAMI patients experience endothelial dysfunction (EndDys), associated with traditional CV risk factors and sleep patterns. EndFx may also predict short and mid‐term outcomes.MethodsEndFx was assessed in 63 patients (56.2 ± 7.6 years) using the Endothelium Quality Index (EQI). Sleep quality and quantity were evaluated using objective (actigraphy) and subjective (Pittsburgh Sleep Quality Index questionnaire) measures. Cardiorespiratory fitness was quantified through the 6‐min walking test. Cardiac function was assessed using the left ventricular ejection fraction.ResultsFollowing AMI, patients tended to experience EndDys (EQI = 1.4 ± 0.7). A severe EndDys was observed in 23.8% of patients (n = 15), while a mild EndDys was present in 63.49% (n = 40). Furthermore, EndDys was significantly associated with traditional CV risk factors (i.e., low physical activity level [12.8%], age [−4.2%], and smoking [−0.7%]) (R2 adjusted = 0.50, p < 0.001). Patients with EndDys had poor sleep quality (p = 0.001) and sleep efficiency (p = 0.016) compared to healthy persons. Patients with severe EndDys exhibited lower cardiorespiratory fitness compared to those with healthy EndFx (p = 0.017). Furthermore, during a follow‐up period (nearly 4 months) following PCI, major adverse cardiac events were observed in four patients with severe EndDys.ConclusionsOur results emphasize the importance of adequate sleep and an active lifestyle, notably physical activity practice, as modifiable elements to enhance EndFx, which is regarded as a predictive tool following AMI. However, other factors remain to be elucidated as predictors of CV risk.Trial RegistrationThe study protocol was registered in the Pan African Clinical Trial Registry under the trial ID: PACTR202208834230748.
Serum Urate and Atrial Fibrillation: A Bidirectional Mendelian Randomization Study
Authors: Yu Shandong , Wang Wei , Gao Yulian , Zhou Jun , Chu Yanpeng 
Published: January 2025

ABSTRACTBackgroundObservational studies indicate that serum urate level is associated with atrial fibrillation (AF). However, whether this association is causal remains controversial, due to confounding factors and reverse causality. We aim to evaluate the causal relationship of genetically predicted serum urate level with AF.MethodsA bidirectional Mendelian randomization (MR) study was performed. Instrumental variables were obtained from the Global Urate Genetics Consortium (110347 individuals). We obtained summary statistics of AF from two genome‐wide association studies (GWAS) data sets for AF. Inverse‐variance‐weighted method was applied to obtain MR estimates and other statistical methods were conducted in the sensitivity analyses. The reverse MR analysis was performed to evaluate the effect of AF on serum urate levels.ResultsGenetically determined serum urate level was not associated with AF in two studies (OR, 1.03; 95% CI, 0.95–1.11; p = 0.47); (OR, 1.06; 95% CI, 0.99–1.12; p = 0.09). The main results kept robust in the most sensitivity analyses. Multivariable MR analyses suggested that the association pattern did not change, after adjusting for body mass index (BMI), HbA1c: hemoglobin A1c (HbA1c), hypertension, low‐density lipoprotein cholesterol (LDL‐C) and coronary heart disease. No causal effect of AF on serum urate levels was found in two studies (OR, 1.02; 95% CI, 0.98–1.05; p = 0.30); (OR, 1.00; 95% CI, 0.98–1.03; p = 0.95).ConclusionsOur MR study supports no bidirectional causal effect of serum urate levels and AF. This implies that treatments aimed at lowering uric acid may not reduce the risk of AF.
Hybrid Accurate Localization Approach for Dense and Highly Mobile Vehicular Networks
Authors: Amira Benaidja , Lazhar Farek 
Published: January 2025

ABSTRACTLocalization is a critical aspect of vehicular ad hoc networks (VANETs), essential for enhancing their safety and comfort applications. However, challenges arise in achieving accurate and timely localization particularly in dense and highly mobile vehicular networks, urban environments and indoor settings where Global Positioning System (GPS) signals are unavailable and unreliable. Several localization solutions have been proposed in the literature, but they could not achieve simultaneously the desired requirements especially when applied to vehicular networks. In this paper, we propose a novel hybrid solution for localizing nodes in VANETs with high accuracy and low latency. Our approach combines optimized localization techniques and hybridizes them with a robust MAC scheme designed for efficient broadcast of beacon messages that are used for the exchange of localization information. By dynamically adapting localization techniques based on road traffic conditions and localization regions while incorporating a time slot reuse policy and a dynamic beaconing rate adjustment in the MAC scheme, our solution aims to overcome the challenges of computational overhead, communication delays and reliability concerns. It is an economical solution that enables timely and precise localization even in the absence of GPS signals. Simulation results demonstrate the effectiveness of our approach in achieving accurate localization for dense and highly mobile VANETs.
Spindle Cell Sarcoma With Novel JAZF1::NUDT5 Gene Fusion: Report of a Previously Undescribed Neoplasm
Authors: Fliorent Rebecca , Hoda Syed T. , Jour George , Mantilla Jose G. 
Published: January 2025

ABSTRACTGene fusions involving JAZF1 are a recurrent event in low grade endometrial stromal sarcoma, and have been more recently described in few instances of endometrial stromal sarcoma‐like tumors in the genitourinary tract of men. In this article, we describe a previously unreported spindle cell sarcoma harboring an in‐frame JAZF1::NUDT5 gene fusion, arising in the chest wall of a 51‐year‐old man. The tumor had unique morphologic features resembling both endometrial stromal sarcoma and endometrial stromal sarcoma‐like tumors, consisting of a mixture of cytologically bland and pleomorphic spindle cells with brisk mitotic activity, within an alternating myxoid and fibrous stroma. It had diffuse immunohistochemical expression of CD10, CD34 and CD56, and variable expression of androgen receptor. To our knowledge, neoplasms with these clinico‐pathologic characteristics and novel gene fusion have not been previously reported in the English language literature.
Evaluating the ability of fullPIERS calculator to predict adverse maternal outcomes in pre‐eclampsia at Charlotte Maxeke Johannesburg Academic Hospital
Authors: Matonhodze Thomas , Nyakoe Robert 
Published: January 2025

AbstractObjectiveTo evaluate the ability of the fullPIERS model to predict adverse maternal outcomes in patients diagnosed as early‐onset pre‐eclampsia at Charlotte Maxeke Johannesburg Academic Hospital, South Africa.MethodsRetrospective record review and analysis of 134 patients admitted with early‐onset pre‐eclampsia. Demographic data, symptoms, and investigation results relevant to the fullPIERS calculator present on admission were collected. Adverse maternal outcomes occurring before the end of 7 days from admission were recorded. Descriptive analysis was conducted, χ2 and Wilcoxon rank‐sum tests were used to evaluate the association between fullPIERS parameters, score, and adverse outcomes. Performance of fullPIERS score was evaluated by positive and negative predictive values, sensitivity, specificity, and receiver operating curve analysis.ResultsThe median age was 34 years (interquartile range [IQR] 28–37 years). A total of 131 deliveries were recorded at a median gestation of 31 weeks (IQR 29–33 weeks). Most deliveries (71; 54.2%) were due to fetal indications and 102 (77.9%) were by cesarean section. A total of 20 (15.1%) patients had adverse maternal outcomes. Three (2.6%) neonates were delivered with Apgar score less than 7 at 5 minutes and were all admitted to the neonatal intensive care unit. FullPIERS formula predicted adverse maternal outcomes with positive and negative predictive values of 100% and 94.9%, respectively, and sensitivity and specificity of 70% and 100%, respectively. The area under the receiver operating characteristic curve was 0.88 (95% confidence interval 0.75–0.95), which shows good discrimination.ConclusionFullPIERS model is a useful adjunct in identifying patients at high risk of adverse outcomes from early‐onset pre‐eclampsia; this allows timely and appropriate management.