bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rational Molecular Design of Indeno[1,2‐b]Quinoxaline‐Based Passivators with Multifunctional Groups to Effectively Retard Recombination and Enhance Voc in Perovskite Solar Cells
Authors: Lin Ying‐Sheng , Chen Chih‐Ping , Lin Chun‐Yu , Jiang Bing‐Huang , Wu Kuan‐Chang , Chow Tahsin J. , Jay Chang Yuan 
Published: November 2024

AbstractThree indeno[1,2‐b]quinoxaline‐based passivators (CQs) with different functionalities including ketone, malononitrile, nitrile, and amine were prepared and used as passivators in perovskite solar cells (PSCs). All of them exhibit good thermal stability with low cost and ease preparation. The variation in molecular geometries, in planar and spiro‐shaped designs with appropriate functional groups, highlights a comparison between their passivation properities. The CQs can effectively passivate defects in the perovskite layer associated with unsaturated Pb2+ coordination. This leads to enhanced perovskite grain size, improved short‐circuit current (Jsc), and reduced recombination, thereby increasing the open‐circuit voltage (Voc) values of PSCs. The use of spiro‐shaped CQ‐Spiro as a passivator results in optimal performance, with Jsc of 24.72 mA cm−2, Voc of 1.14 V, fill factor of 0.76, and a corresponding overall conversion efficiency of 21.42 % (compared to the control device with Spiro‐OMeTAD, which has an efficiency of 16.95 %). After 264 hours operation, the device can maintain 89.6 % of original efficiency. It is demonstrated that spiro‐shaped derivatives of CQ‐Spiro containing multifunctional groups with Lewis base properties can provide another promising choice for passivators in PSCs.
Halogen Thermochemistry Assessed with Density Functional Theory: Systematic Errors, Swift Corrections and Effects on Electrochemistry
Authors: Zapata Jhon Faber , Urrego‐Ortiz Ricardo , Builes Santiago , Calle‐Vallejo Federico 
Published: November 2024

AbstractDespite its sizable errors, density functional theory (DFT) is extensively used to evaluate thermochemical properties of gases, liquids and their interfaces with solids. As numerous halogen‐containing compounds appear as reactants, products and/or electrolytes in electrochemical reactions, and ionic effects are currently an active area of research, it is important to evaluate the accuracy of DFT for halogen thermochemistry. Herein, we assess the formation energies of interhalogens, hydrogen halides, diatomic and atomic halogens and their ions using six widespread functionals at the GGA, meta‐GGA and hybrid levels. We observe that DFT errors with respect to experiments are correlated with the electronegativity of the species and there are systematic trends across functionals, such that swift corrections were devised. Specifically, the average of the mean absolute errors for the six functionals decreased from 0.19 eV before the corrections to 0.08 eV after them. Besides, the overall maximum absolute error (MAX) decreased from 0.76 to 0.44 eV and the average of the MAXs decreased from 0.51 to 0.24 eV. Finally, we illustrate the qualitative and quantitative impact of gas‐phase errors on the predictions of surface Pourbaix diagrams.
Prospective feasibility of a minimal BH3 profiling assay in acute myeloid leukemia
Authors: Pacchiardi Kim , de Marcellus Victoire , Huynh Tony , Fodil Sofiane , Kim Rathana , Bello Reinaldo dal , Fontaine Morgane , Lonchamp Catherine , Chat Laureen , Aguinaga Lorea , Lengliné Etienne , Sébert Marie , Raffoux Emmanuel , Adès Lionel , Dombret Hervé , Clappier Emmanuelle , Puissant Alexandre , Mathis Stéphanie , Chauvel Clémentine , Itzykson Raphael 
Published: November 2024

AbstractBH3 profiling can assess global mitochondrial priming and dependence of leukemic cells on specific BH3 anti‐apoptotic proteins such as BCL‐2. In acute myeloid leukemia (AML), proof‐of‐concept prognostic studies have been performed on archived samples variably accounting for molecular genetics. We undertook a single‐center feasibility study of a simplified flow‐based assay to determine the absolute mitochondrial priming and BCL‐2 dependence in consecutive AML patients. When possible, results on the leukemic fraction were normalized to the cognate lymphocyte population (relative priming and BCL‐2 dependence). Samples from 97 (89.8%) of the 108 referred patients were successfully processed. Relative priming and BCL‐2 dependence could be determined in 62 (67.4%) and 67 (62.0%) samples, respectively. Absolute mitochondrial priming was lower in patients having previously failed intensive chemotherapy compared to chemotherapy‐naïve patients (p = 0.01), but its prognostic impact was limited. Conversely, relative BCL‐2 independence tended to predict worse EFS (HR = 2.51, p = 0.07) and OS (HR = 2.79, p = 0.10) independently of adverse genetic risk. Our results show that simplified BH3 profiling can be prospectively assessed in AML patients but that its prognostic use may require internal normalization. Future studies should compare its relevance with other functional assays such as ex vivo drug testing or BH3 protein expression.
Everyday functioning as a predictor of cognitive status in a group of community‐dwelling, predominantly Black adults
Authors: Runk Ashlyn , Butters Meryl A. , Rosso Andrea L. , Dubowitz Tamara , Troxel Wendy M. , Rodakowski Juleen , Gary‐Webb Tiffany L. , Haas Ann , Ghosh‐Dastidar Bonnie , Weinstein Andrea M. 
Published: November 2024

AbstractINTRODUCTIONWe examined whether the Performance Assessment of Self‐Care Skills (PASS) and Everyday Cognition Scale‐12 (ECog‐12) dichotomized cognitive groups in a sample of predominantly Black adults.METHODSTwo hundred forty‐six community‐dwelling adults (95% Black, age 50+) completed cognitive testing, the PASS, and the ECog. Cognitive groups (probable vs unlikely cognitive impairment) were determined by performance on the Modified Mini‐Mental State Examination. We examined the predictive validity of the PASS shopping, medication management, and information retrieval subtests and the ECog‐12 to dichotomize cognitive groups.RESULTSPerformance on all PASS subtests (all p’s < .05) differed between cognitive groups, but not ECog‐12 (p = 0.17). Only the PASS shopping and medication management had good reliability for determining cognitive group (areas under the curve (AUCs) of .74 each).DISCUSSIONPASS shopping and medication management exhibited adequate predictive validity when distinguished between cognitive status groups, whereas the PASS information retrieval and ECog‐12 did not.Highlights
Mild functional decline is a core diagnostic criterion for cognitive impairment.
Performance‐based assessments are a valuable tool for assessing functional decline.
Most performance‐based measures were developed using homogenous samples.
Few studies have validated these measures in other racial and ethnic populations.
Challenges in the Cytodiagnosis of Intraparotid Schwannoma
Authors: Sinehaa Sabari , Jain Surabhi , Sood Rachit , Manchanda Smita , Thakar Alok , Kakkar Aanchal 
Published: November 2024

ABSTRACTClear cell tumors of parotid gland encompass a wide spectrum of neoplasms, including benign and malignant epithelial neoplasms. Additionally, tumors from adjacent structures such as paraganglioma, and metastatic neoplasms may also show clear cells. Overlapping cytological features may cause difficulty in diagnosis. This 50‐year‐old female presented with inability to close the right eye for 4 years, and with an infra‐auricular swelling. Fine‐needle aspiration cytology (FNAC) done outside was submitted for review with a diagnosis of neuroendocrine tumor. Smears showed clusters of tumor cells with abundant vacuolated cytoplasm and uniform round to ovoid nuclei. Features were those of salivary gland neoplasm of uncertain malignant potential, that is Milan category IVB: cellular neoplasm with clear cell features, with differential diagnoses of myoepithelial cell neoplasms, acinic cell carcinoma and paraganglioma. FNAC repeated for better characterization showed similar polygonal cells, accompanied by few spindle‐shaped cells with ovoid nuclei, suggestive of paraganglioma. However, DOTANOC uptake was absent. Patient underwent radical parotidectomy; intraoperative frozen section showed a spindle cell tumor. Final histopathology revealed an intraparotid facial nerve schwannoma. The tumor was multi‐nodular, with some nodules being composed almost entirely of polygonal cells with clear cytoplasm, that is, Antoni B areas, and others showing typical Antoni A areas admixed with Antoni B areas. Parotid FNAC has high accuracy for diagnosis of epithelial lesions; however, mesenchymal tumors often pose a diagnostic difficulty. Intraparotid schwannoma is not uncommon and may be diagnosed easily on FNAC when morphology is classical. However, intra‐tumoral heterogeneity and less common histological subtypes may present a pitfall in cytodiagnosis.
Eco‐phenotypic feedback loops differ in multistressor environments
Authors: Govaert Lynn , Klauschies Toni 
Published: November 2024

AbstractNatural communities are exposed to multiple environmental stressors, which simultaneously impact the population and trait dynamics of the species embedded within these communities. Given that certain traits, such as body size, are known to rapidly respond to environmental change, and given that they can strongly influence the density of populations, this raises the question of whether the strength of the eco‐phenotypic feedback loop depends on the environment, and whether stressful environments would enhance or disrupt this feedback or causal linkage. We use two competing freshwater ciliates—Colpidium striatum and Paramecium aurelia—and expose their populations to a full‐factorial design of increasing salinity and temperature conditions as well as interspecific competition. We found that salinity, temperature, and competition significantly affected the density and cell size dynamics of both species. Cell size dynamics strongly influenced density dynamics; however, the strength of this eco‐phenotypic feedback loop weakened in stressful conditions and with interspecific competition. Our study highlights the importance of studying eco‐phenotypic dynamics in different environments comprising stressful abiotic conditions and species interactions.
Cardiac remodelling in the era of the recommended four pillars heart failure medical therapy
Authors: Colombo Giada , Biering‐Sorensen Tor , Ferreira Joao P. , Lombardi Carlo Mario , Bonelli Andrea , Garascia Andrea , Metra Marco , Inciardi Riccardo M. 
Published: November 2024

AbstractCardiac remodelling is a key determinant of worse cardiovascular outcome in patients with heart failure (HF) and reduced ejection fraction (HFrEF). It affects both the left ventricle (LV) structure and function as well as the left atrium (LA) and the right ventricle (RV). Guideline recommended medical therapy for HF, including angiotensin‐converting enzyme inhibitors/angiotensin receptors II blockers/angiotensin receptor blocker‐neprilysin inhibitors (ACE‐I/ARB/ARNI), beta‐blockers, mineralocorticoid receptor antagonists (MRA) and sodium‐glucose transport protein 2 inhibitors (SGLT2i), have shown to improve morbidity and mortality in patients with HFrEF. By targeting multiple pathophysiological pathways, foundational HF therapies are supposed to drive their beneficial clinical effects by a direct myocardial effect. Simultaneous initiation of guideline directed medical therapy (GDMT) through a synergistic effect promotes a ‘reverse remodelling’, leading to a full or partial recovered structure and function by enhancing systemic neurohumoral regulation and energy metabolism, reducing cardiomyocyte apoptosis, lowering oxidative stress and inflammation and adverse extracellular matrix deposition. The aim of this review is to describe how these classes of drugs can drive reverse remodelling in the LV, LA and RV and improve prognosis in patients with HFrEF.
Construction of Sulfur(IV)‐Chiral Six‐Membered Heterocycles by Pd‐Catalyzed Asymmetric (4+2) Dipolar Cyclization
Authors: Xiong Fen‐Ya , Pan Su‐Rui , Wang Bao‐Cheng , Li Yu‐Jie , Shi Jun‐Wei , Xiao Wen‐Jing , Lu Liang‐Qiu 
Published: November 2024

AbstractChiral sulfur‐containing compounds play an important role in asymmetric catalysis and synthesis, chiral pharmaceuticals, and chiral materials. While great progress has been made in the synthesis of these compounds, the asymmetric catalytic synthesis of chiral sulfur‐containing heterocycles remains relatively limited compared to acyclic ones. In this study, we successfully report an efficient and highly selective synthesis of structurally diverse chirality‐at‐sulfur(IV) six‐membered heterocycles under mild conditions via a Pd‐catalyzed asymmetric (4+2) dipolar cyclization. More importantly, these products enable the enantioselective preparation of a variety of other S‐stereogenic derivatives.
Tire Pressure Monitoring System Using Feature Fusion and Family of Lazy Classifiers
Authors: Pandey Arpit , Naveen Venkatesh Sridharan , Anoop Prabhakaranpillai Sreelatha , Manju B. R. , Sugumaran Vaithiyanathan 
Published: November 2024

ABSTRACTThe tire pressure monitoring system (TPMS) is crucial for road safety, fuel efficiency, and vehicle performance. This study focuses on nitrogen‐filled pneumatic tires due to their uniform pressure management and thermal stability advantages over air‐filled tires. Using machine learning, the research analyzes TPMS data to enhance understanding of tire behavior and vehicle safety. It employs various feature extraction methods and lazy‐based classifiers to analyze vibration signals collected under idle, high‐speed, normal, and puncture conditions using MEMS accelerometers. The study examines autoregressive moving average (ARMA), histogram, and statistical features individually and in combinations (statistical‐histogram, histogram‐ARMA, statistical‐ARMA, and statistical‐histogram‐ARMA) to improve predictive accuracy. By integrating these features, the study aims to optimize predictive modeling of TPMS. Empirically, the research achieved 97.92% accuracy using the local weighted learning (LWL) algorithm, demonstrating the effectiveness of combined statistical, histogram, and ARMA features in enhancing TPMS predictive capabilities.
Ionic liquid pretreatment of sweet sorghum bagasse to improve fermentable sugars and platform chemicals obtained from subcritical water hydrolysis
Authors: Bragato Carolina A. , Draszewski Crisleine P. , Celante Dian , Brondani Michel , Frizzo Clarissa P. , de Castilhos Fernanda , Abaide Ederson R. , Mayer Flávio D. 
Published: November 2024

AbstractSweet sorghum bagasse (SSB) is a promising feedstock for cellulosic ethanol production because of its composition and productivity. The use of SSB pretreated with 1‐butyl‐3‐methylimidazolium chloride ([Bmim]Cl) before subcritical water hydrolysis (SWH) aiming the production of fermentable sugars and platform chemicals was investigated. Modifications in the composition of SSB at different conditions (100°C and 120°C; 2, 4, and 6 h) were evaluated by the thermogravimetric analysis. Sequentially, pretreated SSB was submitted to subcritical water hydrolysis, whose conditions were 220°C and 260°C, and solvent/feed ratios of 80 and 100 g water/g sample (R‐80 and R‐100) were considered. Maximum enrichment in hemicellulose content and minimum cellulose content was reached in 2 h for pretreatment at 100°C. SSB pretreated with [Bmim]Cl presented enrichment in hemicellulose content from 37.95 to 90.07%, and a 76.9% reduction in lignin content. Therefore, pretreated SSB from this condition was submitted to SWH, resulting in 19.18 g of fermentable sugars per 100 g of sample at 220°C and R‐100. The yield of fermentable sugars using SSB pretreated with [Bmim]Cl increased 2.05 times compared with unpretreated under the same condition of SWH (220°C/R‐100/10 min). The higher platform chemicals production from pretreated SSB was 15.25 g per 100 g of sample at 220°C and R‐80, lower when compared with untreated SSB at 220°C and R‐100. Optimizing the solvent/feed ratio is crucial for balancing fermentable sugar and platform chemical production via SWH. [Bmim]Cl pretreatment and ratio optimization enhance product yields significantly.
Hypnea musciformis Seaweed Extract Protected Human Mesenchymal Stem Cells From Oxidative Stress Through NRF2 Activation
Authors: Goutas Andreas , Goutzourelas Nikolaos , Kevrekidou Alkistis , Kevrekidis Dimitrios Phaedon , Malea Paraskevi , Virgiliou Christina , Assimopoulou Andreana N. , Trachana Varvara , Kollatos Nikolaos , Moustafa Tafa , Liu Ming , Lin Xiukun , Komiotis Dimitrios , Stagos Dimitrios 
Published: November 2024

ABSTRACTPrevious studies have shown that Hypnea musciformis seaweed extracts (HMEs) possess antioxidant properties, but the molecular mechanisms accounting for this activity are not known. Thus, the present study investigated the molecular mechanisms through which HME exerted its antioxidant activity in human mesenchymal stem cells (WJ‐MSCs). After the isolation of HME, its chemical composition was analyzed with gas chromatography mass spectrometry, indicating that it contained amino acids, organic acids, organic amides, sugar alcohols, saturated fatty acids, hydrogenated diterpene alcohols, and other organic compounds. Afterward, HME was shown in vitro to scavenge DPPH·, ABTS·+, ·OH, and O2·− radicals, possess reducing activity, and protect from ROO·‐induced DNA strand breakage. Finally, the results showed that HME treatment of WJ‐MSCs prevented H2O2‐induced oxidative stress by decreasing lipid peroxidation, protein oxidation, reactive oxygen species levels, and DNA damage and by increasing glutathione levels. Moreover, our findings showed for the first time that HME's antioxidant activity in WJ‐MSCs was mediated through the activation of NRF2, which upregulated the expression of the antioxidant proteins GCLC, GSR, HMOX1, SOD1, TXN, and GPX1. These results provide new insights into H. musciformis' antioxidant properties, which could help substantially its use as a food supplement or for developing biofunctional foods.
Accelerating Heritability, Genetic Correlation, and Genome‐Wide Association Imaging Genetic Analyses in Complex Pedigrees
Authors: Donohue Brian , Gao Si , Nichols Thomas E. , Adhikari Bhim M. , Ma Yizhou , Jahanshad Neda , Thompson Paul M. , McMahon Francis J. , Humphries Elizabeth M. , Burroughs William , Ament Seth A. , Mitchell Braxton D. , Ma Tianzhou , Chen Shuo , Medland Sarah E. , Blangero John , Hong L. Elliot , Kochunov Peter 
Published: November 2024

ABSTRACTNational and international biobanking efforts led to the collection of large and inclusive imaging genetics datasets that enable examination of the contribution of genetic and environmental factors to human brains in illness and health. High‐resolution neuroimaging (~104–6 voxels) and genetic (106–8 single nucleotide polymorphic [SNP] variants) data are available in statistically powerful (N = 103–5) epidemiological and disorder‐focused samples. Performing imaging genetics analyses at full resolution afforded in these datasets is a formidable computational task even under the assumption of unrelatedness among the subjects. The computational complexity rises as ~N2–3 (where N is the sample size), when accounting for relatedness among subjects. We describe fast, non‐iterative simplifications to accelerate classical variance component (VC) methods including heritability, genetic correlation, and genome‐wide association in dense and complex empirical pedigrees. These approaches linearize (from N2–3 to N~1) computational effort while maintaining fidelity (r ~ 0.95) with the VC results and take advantage of parallel computing provided by central and graphics processing units (CPU and GPU). We show that the new approaches lead to a 104‐ to 106‐fold reduction in computational complexity—making voxel‐wise heritability, genetic correlation, and genome‐wide association studies (GWAS) analysis practical for large and complex samples such as those provided by the Amish and Human Connectome Projects (N = 406 and 1052 subjects, respectively) and UK Biobank (N = 31,681). These developments are shared in open‐source, SOLAR‐Eclipse software.
Using Evidenced‐Based Design to Support Gang‐Impacted Students in an Urban Community College: Lessons From the Phoenix Scholars Program
Authors: Huerta Adrian H. , Muñoz Mike , Torre‐Iniguez Sonia De La , Ibarra‐Virgen Jose 
Published: November 2024

ABSTRACTIn this manuscript, we offer a brief understanding of the educational experiences of gang‐impacted students in K‐12 and postsecondary education. Using evidence‐based and interconnected support systems that account for the multifaceted needs of gang‐impacted students, such as basic needs, mental health, workforce development, technology, and other resources, we then focus on the necessary institutional and programmatic practices to design and support them to thrive and graduate from an urban community college.
Quantifying Hydraulic Geometry and Whitewater Coverage for Steep Proglacial Streams to Support Process‐Based Stream Temperature Modelling
Authors: Dufficy A. L. , Eaton B. C. , Moore R. D. 
Published: November 2024

ABSTRACTAt‐a‐station hydraulic geometry (AASHG) relationships describe the dependence of a river's width, mean depth and mean velocity on discharge at a given location, and are typically modelled as power‐law functions. They are often used when modelling stream temperature under unsteady flow conditions. Deriving AASHG relationships is challenging for steep proglacial streams due to the combination of complex morphology and velocity distributions, and rapidly varying flow. The objective of this study was to combine tracer injections with drone‐based photogrammetry to derive AASHG relationships for a steep proglacial channel and to quantify whitewater coverage and its relationship with discharge to support process‐based stream temperature modelling. Velocity–discharge and width–discharge relationships were reasonably well characterised using power‐law functions, but varied amongst sub‐reaches. Whitewater coverage as a fraction of total stream surface area generally exceeded 50% for the range of flows sampled, and exhibited a statistically significant positive relationship with discharge, which varied amongst sub‐reaches. For the range of flows captured during drone flights, the relationship could be represented by a linear function. However, an asymptotic model would be required to extend the relationship to higher flows. The magnitude of whitewater coverage indicates that the albedo of the stream should be substantially higher than values typically used in stream temperature models, and the relationship with discharge means that ongoing glacier retreat, and the associated reduction in summer discharge, should result in lower albedo and higher downstream warming rates, reinforcing the effects of decreasing velocity and mean depth as flows decline.