bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unspecific Peroxygenase (UPO) can be Tuned for Oxygenation or Halogenation Activity by Controlling the Reaction pH
Authors: Barber Verity , Mielke Tamara , Cartwright Jared , Díaz‐Rodríguez Alba , Unsworth William P. , Grogan Gideon 
Published: May 2024

AbstractUnspecific Peroxygenases (UPOs) are increasingly significant enzymes for selective oxygenations as they are stable, highly active and catalyze their reactions at the expense of only hydrogen peroxide as the oxidant. Their structural similarity to chloroperoxidase (CPO) means that UPOs can also catalyze halogenation reactions based upon the generation of hypohalous acids from halide and H2O2. Here we show that the halogenation and oxygenation modes of a UPO can be stimulated at different pH values. Using simple aromatic compounds such as thymol, we show that, at a pH of 3.0 and 6.0, either brominated or oxygenated products respectively are produced. Preparative 100 mg scale transformations of substrates were performed with 60–72 % isolated yields of brominated products obtained. A one‐pot bromination‐oxygenation cascade reaction on 4‐ethylanisole, in which the pH was adjusted from 3.0 to 6.0 at the halfway stage, yielded sequentially brominated and oxygenated products 1‐(3‐bromo‐4‐methoxyphenyl)ethyl alcohol and 3‐bromo‐4‐methoxy acetophenone with 82 % combined conversion. These results identify UPOs as an unusual example of a biocatalyst that is tunable for entirely different chemical reactions, dependent upon the reaction conditions.
Impact of helical elongation of symmetric oxa[n]helicenes on their structural, photophysical, and chiroptical characteristics
Authors: Salem Mohamed S. H. , Sharma Rubal , Suzuki Seika , Imai Yoshitane , Arisawa Mitsuhiro , Takizawa Shinobu 
Published: May 2024

AbstractThe adjustment of the main helical scaffold in helicenes is a fundamental strategy for modulating their optical features, thereby enhancing their potential for diverse applications. This work explores the influence of helical elongation (n = 5–9) on the structural, photophysical, and chiroptical features of symmetric oxa[n]helicenes. Crystal structure analyses revealed structural variations with helical extension, impacting torsion angles, helical pitch, and packing arrangements. Through theoretical investigations using density functional theory (DFT) calculations, the impact of helical extension on aromaticity, planarity distortion, and heightened chiral stability were discussed. Photophysical features were studied through spectrophotometric analysis, with insights gained through time‐dependent DFT (TD‐DFT) calculations. Following optical resolution via chiral high‐performance liquid chromatography (HPLC), the chiroptical properties of both enantiomers of oxa[7]helicene and oxa[9]helicene were investigated. A slight variation in the main helical scaffold of oxa[n]helicenes from [7] to [9] induced an approximately three‐fold increase in dissymmetry factors with the biggest values of|glum| of oxa[9]helicene (2.2 × 10−3) compared to|glum|of oxa[7]helicene (0.8 × 10−3), findings discussed and supported by TD‐DFT calculations.
Circular dichroism spectrum of (R)‐(+)‐3,3′‐dibromo‐1,1′‐bi‐2‐naphthol in albumin: Alterations caused by complexation—Experimental and in silico investigation
Authors: Ximenes Valdecir Farias , Yoguim Maurício Ikeda , de Souza Aguinaldo Robinson , Morgon Nelson Henrique 
Published: May 2024

AbstractThis study describes the interaction of human serum albumin (HSA) with the binol derivative (R)‐(+)‐3,3′‐dibromo‐1,1′‐bi‐2‐naphthol (R‐BrB), which has its optical activity based on the prohibitive energetic barrier for conversion into the enantiomer (S)‐(+)‐3,3′‐dibromo‐1,1′‐bi‐2‐naphthol (S‐BrB). The objective was to assess the ability of HSA to differentiate axial enantiomers based on their binding efficiency and their impact on the CD spectra. We discovered that both enantiomers were effective ligands, and the CD signal disappeared when equimolar amounts of R‐BrB and S‐BrB were simultaneously added, indicating no preference for either enantiomer. The complexation resulted in a significant signal increase at 250 nm and a bathochromic effect at 370 nm. Molecular docking simulations were performed, and the lower energy pose of R‐BrB was selected for DFT calculations. The theoretical CD spectra of free and complexed R‐BrB were obtained and showed alterations corroborating the experimental results. By comparing the difference spectrum (HSA:R‐BrB minus HSA) with the spectrum of free RBrB in water or ethyl alcohol, we concluded that the CD signal intensification was due to the increased solubilization of R‐BrB upon binding to HSA.
Nanostructured ZnO‐CQD Hybrid Heterostructure Nanocomposites: Synergistic Engineering for Sustainable Design, Functional Properties, and High‐Performance Applications
Authors: Mishra Raghvendra Kumar , Chianella Iva , Sarkar Jayati , Yazdani Nezhad Hamed , Goel Saurav 
Published: May 2024

AbstractHybrid nanocomposites integrating nanostructured zinc oxide (ZnO) and carbon quantum dots (CQDs) with designed heterostructures possess exceptional optical and electronic properties. These properties hold immense potential for advancements across diverse scientific and technological fields. This review article investigates the synthesis, properties, and applications of ZnO‐CQD heterostructure nanocomposites. Recent breakthroughs in fabrication methods are examined, including hydrothermal, microwave‐assisted, and eco‐friendly techniques. Key preparation methods such as sol‐gel, co‐precipitation, and electrochemical deposition are discussed, emphasizing their role in controlling heterostructure formation. This review analyses the impact of heterostructures on optical and electronic properties, such as fluorescence, photoluminescence, and photocatalytic activity. Synergistic interactions between ZnO and CQDs within heterostructures are highlighted, demonstrating how they lead to substantial performance improvements. Applications of ZnO‐CQD heterostructures span solar cells, LEDs, photodetectors, water purification, antimicrobial treatments, gas sensing, catalysis, biomedical imaging, drug delivery, environmental sensing, and energy storage. Insights are provided into refining synthesis methods, enhancing characterisation techniques, and broadening the application landscape. Challenges like stability are addressed, along with strategies for optimised performance and practical implementation. This comprehensive review offers a thorough understanding of ZnO‐CQD heterostructure nanocomposites, emphasising their significance within materials science and engineering. By addressing core concepts and future directions, it lays a foundation for continued innovation in this dynamic field.
Photoelectrocatalytic Reduction of CO2 to CO via Cu2O/C/PTFE Nanowires Photocathodes
Authors: Zhang Xun , Wang Jingkun , Liu Yuliang , Sun Jidong , Xu Bingshe , Li Tianbao 
Published: May 2024

AbstractThe consumption of fossil fuels releases large amounts of carbon dioxide (CO2) in the atmosphere, causing a serious greenhouse effect. Photoelectrochemical (PEC) reduction of CO2 to chemical fuels is an effective way to alleviate the current energy and environmental crisis. However, it is still difficult to rationally design efficient PEC CO2 reduction photocathodes. Cuprous oxide (Cu2O) is a promising photocathode material, but its surface is susceptible to the accumulation of photogenerated electrons leading to corrosion and activity reduction, and is accompanied by hydrogen evolution reaction (HER), both of which lead to the overall low conversion efficiency of CO2 reduction by Cu2O. In this study, the PEC CO2 conversion efficiency was improved by the synergistic effect of the C electron transport layer to accelerate the electron transfer to alleviate the Cu2O corrosion problem and the polytetrafluoroethylene (PTFE) hydrophobic layer to inhibit the HER. The test showed that the CO yield of Cu2O/C/PTFE at the optimum potential (−0.7 V vs. RHE) was 54.6 μmol cm−2 h−1, which was 3.2 times higher than that of pure Cu2O. This study provides a facile strategy for constructing an efficient photocathode with great potential for CO2 reduction.
Culturally adapted cognitive assessment tool for Indigenous communities in Brazil: Content, construct, and criterion validity
Authors: Bezerra Camila Carlos , Toledo Noeli das Neves , da Silva Diego Ferreira , da Silva Fernanda Carini , Duarte Vanessa Vasconcellos , Brucki Sonia Maria Dozzi , Giudice Dina Lo , Fonseca Luciana Mascarenhas , Souza‐Talarico Juliana Nery 
Published: May 2024

AbstractINTRODUCTIONInitial dementia prevalence estimates have revealed a significant burden of the disease in Indigenous communities in Amazonas, Brazil. However, the need for culturally adapted cognitive tools poses a critical challenge when assessing cognitive performance in these communities. This study addressed this issue by culturally adapting and providing validity indicators for the Brazilian Indigenous Cognitive Assessment (BRICA) tool in Manaus, Brazil's urban multiethnic Indigenous community.METHODSUsing a three‐stage process and a stakeholder‐engaged approach, the BRICA tool was culturally adapted in an urban multiethnic Indigenous community from Manaus, Brazil. The content validity index (CVI) examined inter‐rater concordance between experts, while criterion and concurrent validity were performed using diagnostic consensus criteria in 141 Indigenous participants aged ≥ 50 years.RESULTSFindings showed evidence of content validity in terms of equivalence aspects (scale CVI [S‐CVI] 0.93) and relevance ratings (S‐CVI 0.85) between expert panels. The identified cut‐off score of ≤ 33/39 on the BRICA demonstrated a sensitivity of 94.4%, specificity of 99.2%, positive predictive value of 94.4%, and negative predictive value of 99.2% for dementia diagnosis.DISCUSSIONUsing a stakeholder‐engaged approach, we culturally adapted the BRICA tool for a Brazilian urban multiethnic Indigenous community. This comprehensive adaptation process resulted in favorable indicators of content, construct, and criteria validity for the BRICA tool. By addressing the existing bias in cognitive assessment within Indigenous communities, the BRICA tool represents a noteworthy breakthrough. Its implementation exhibits potential for improving the early detection and management of dementia among Indigenous groups.Highlights
Culturally sensitive tools are essential to assess cognition in Indigenous populations.
An expert panel and stakeholders’ perspectives were incorporated to design the Brazilian Indigenous Cognitive Assessment (BRICA) tool.
A cognitive screening tool was adapted and validated using a stakeholder approach.
BRICA is the first culturally sensitive cognitive tool for urban Brazilian Indigenous individuals.
Unique and interactive effects of threat and deprivation on latent trait cortisol among emerging adults
Authors: Stroud Catherine B. , Chen Frances R. , Navarro Esmeralda , Gim Haelynn , Benjamin Isabel , Doane Leah D. 
Published: May 2024

AbstractThough considerable work supports the Dimensional Model of Adversity and Psychopathology, prior research has not tested whether the dimensions—threat (e.g., abuse) and deprivation (e.g., neglect)—are uniquely related to salivary trait indicators of hypothalamic pituitary adrenal (HPA) axis activity. We examined the unique and interactive effects of threat and deprivation on latent trait cortisol (LTC)—and whether these effects were modified by co‐occurring adversities. Emerging adults (n = 90; Mage = 19.36 years; 99.88% cisgender women) provided salivary cortisol samples four times a day (waking, 30 min and 45 min postwaking, bedtime) over three 3‐day measurement waves over 13 weeks. Contextual life stress interviews assessed early adversity. Though the effects varied according to the conceptualization of early adversity, overall, threat—but not deprivation, nor other co‐occurring adversities—was uniquely associated with the across‐wave LTC. Specifically, the incidence and frequency of threat were each negatively related to the across‐wave LTC. Threat severity was also associated with the across‐wave LTC, but only among those with no deprivation. Finally, the effects of threat were modified by other co‐occurring adversities. Findings suggest that threat has unique implications for individual differences in HPA axis activity among emerging adults, and that co‐occurring adversities modify such effects.
Dapagliflozin and quality of life measured using the EuroQol 5‐dimension questionnaire in patients with heart failure with reduced and mildly reduced/preserved ejection fraction
Authors: Yang Mingming , Kondo Toru , Talebi Atefeh , Jhund Pardeep S. , Docherty Kieran F. , Claggett Brian L. , Vaduganathan Muthiah , Bachus Erasmus , Hernandez Adrian F. , Lam Carolyn S.P. , Inzucchi Silvio E. , Martinez Felipe A. , de Boer Rudolf A. , Kosiborod Mikhail N. , Desai Akshay S. , Køber Lars , Ponikowski Piotr , Sabatine Marc S. , Solomon Scott D. , McMurray John J.V. 
Published: May 2024

ABSTRACTAimsAlthough much is known about the usefulness of heart failure (HF)‐specific instruments for assessing patient well‐being, less is known about the value of generic instruments for the measurement of health‐related quality of life (HRQL) in HF. The aim of this study was to assess the relationship between the EuroQol 5‐dimension 5‐level (EQ‐5D‐5L) visual analogue scale (VAS) and index scores, clinical characteristics, and outcomes in patients with HF and the effect of dapagliflozin on these scores.Methods and resultsWe performed a patient‐level pooled analysis of the DAPA‐HF and DELIVER trials, which investigated the effectiveness and safety of dapagliflozin in patients with HF and reduced ejection fraction (HFrEF) and mildly reduced/preserved ejection fraction (HFmrEF/HFpEF), respectively. Patients reporting higher (better) EQ‐5D‐5L VAS and index scores had a lower prevalence of comorbidities, including atrial fibrillation and hypertension, than patients with a worse score. They were also more likely to have better investigator‐reported (New York Heart Association class) and patient‐self‐reported (Kansas City Cardiomyopathy Questionnaire) health status and lower median N‐terminal pro‐B‐type natriuretic peptide levels. Compared to patients with the lowest scores (Q1), those with higher EQ‐5D‐5L VAS scores had better outcomes: the hazard ratio for the composite of cardiovascular death or worsening HF was 0.81 (95% confidence interval 0.72–0.91) in Q2, 0.74 (0.65–0.84) in Q3, and 0.62 (0.54–0.72) in Q4. The risk of each component of the composite outcome, and all‐cause death, was also lower in patients with better scores. Similar findings were observed for the index score. Treatment with dapagliflozin improved both EQ‐5D‐5L VAS and index scores across the range of ejection fraction.ConclusionsBoth higher (better) EQ‐5D‐5L VAS and index scores were associated with better outcomes. Dapagliflozin treatment improved EQ‐5D‐5L VAS and index scores, irrespective of ejection fraction.
AIoT‐enhanced health management system using soft and stretchable triboelectric sensors for human behavior monitoring
Authors: Xu Liang , Zhong Songyi , Yue Tao , Zhang Zixuan , Lu Xiao , Lin Yangqiao , Li Long , Tian Yingzhong , Jin Tao , Zhang Quan , Lee Chengkuo 
Published: May 2024

AbstractSedentary, inadequate sleep and exercise can affect human health. Artificial intelligence (AI) and Internet of Things (IoT) create the Artificial Intelligence of Things (AIoT), providing the possibility to solve these problems. This paper presents a novel approach to monitor various human behaviors for AIoT‐based health management using triboelectric nanogenerator (TENG) sensors. The insole with solely one TENG sensor, creating a most simplified system that utilizes machine learning (ML) for personalized motion monitoring, encompassing identity recognition and gait classification. A cushion with 12 TENG sensors achieves real‐time identity and sitting posture recognition with accuracy rates of 98.86% and 98.40%, respectively, effectively correcting sedentary behavior. Similarly, a smart pillow, equipped with 15 sensory channels, detects head movements during sleep, identifying 8 sleep patterns with 96.25% accuracy. Ultimately, constructing an AIoT‐based health management system to analyze these data, displaying health status through human‐machine interfaces, offers the potential to help individuals maintain good health.image
SPECT postprocessing for epileptogenic focus localization: SISCOM versus ISAS
Authors: van Klink Nicole , Gebbink Tineke , Ferrier Cyrille , Hobbelink Monique , Tolboom Nelleke , Noordmans Herke Jan 
Published: May 2024

AbstractObjectiveIctal SPECT can be used as an estimate for the epileptogenic zone in people with focal epilepsy. Subtraction of ictal and interictal SPECT scans reveals the area with significant ictal hyperperfusion. Some methods use a control database to also correct for physiological variance. This control database is ideally scanner specific, but it is not trivial to obtain such a database because of ethical issues. In this study, we used a publicly available control database to compare ictal‐interictal SPECT analyzed by SPM (ISAS) with the most commonly used subtraction ictal SPECT co‐registered to MRI (SISCOM).MethodsIctal and interictal SPECTs of 26 patients (age range: 7–50 years, 15 adults, 11 children) with focal drug resistant epilepsy in workup for epilepsy surgery were retrospectively analyzed using both SISCOM and ISAS. The control database for ISAS was obtained from the ISAS website. Two groups of blinded reviewers determined the location of ictal hyperperfusion in all datasets. Results were compared between subtraction algorithms and with the resected area (if available) or the suspected epileptogenic zone. The number of significant clusters and the locations of maximum hyperperfusion were compared between algorithms.ResultsThe location of ISAS and SISCOM hyperperfusion was the same in 14 patients (54%). ISAS localized in 6 patients where SISCOM did not. Compared to the resected area or suspected epileptogenic zone, SISCOM correctly localized in 55%, while ISAS did in 65% (not significantly different). ISAS shows significantly less clusters than SISCOM. The maximum hyperperfusion was in the reviewer's location in 65% for ISAS and 38% for SISCOM.SignificanceISAS using a publicly available control database gives comparable or better results than SISCOM. ISAS results are easier to interpret than SISCOM results. We show that ISAS is a reliable alternative for SISCOM, which could easily be implemented in epilepsy surgery clinics.Plain Language SummaryWe explored the effectiveness of ISAS as an alternative to the widely used SISCOM for assessing SPECT scans in epilepsy surgery candidates. Utilizing a publicly available control database, we compared the two methods in 26 patients. The results indicate that ISAS might offer increased accuracy and interpretability, making it a promising option, especially for centers without access to a specific control dataset.
In vivo structural connectivity of the reward system along the hippocampal long axis
Authors: Elliott Blake L. , Mohyee Raana A. , Ballard Ian C. , Olson Ingrid R. , Ellman Lauren M. , Murty Vishnu P. 
Published: May 2024

AbstractRecent work has identified a critical role for the hippocampus in reward‐sensitive behaviors, including motivated memory, reinforcement learning, and decision‐making. Animal histology and human functional neuroimaging have shown that brain regions involved in reward processing and motivation are more interconnected with the ventral/anterior hippocampus. However, direct evidence examining gradients of structural connectivity between reward regions and the hippocampus in humans is lacking. The present study used diffusion MRI (dMRI) and probabilistic tractography to quantify the structural connectivity of the hippocampus with key reward processing regions in vivo. Using a large sample of subjects (N = 628) from the human connectome dMRI data release, we found that connectivity profiles with the hippocampus varied widely between different regions of the reward circuit. While the dopaminergic midbrain (ventral tegmental area) showed stronger connectivity with the anterior versus posterior hippocampus, the ventromedial prefrontal cortex showed stronger connectivity with the posterior hippocampus. The limbic (ventral) striatum demonstrated a more homogeneous connectivity profile along the hippocampal long axis. This is the first study to generate a probabilistic atlas of the hippocampal structural connectivity with reward‐related networks, which is essential to investigating how these circuits contribute to normative adaptive behavior and maladaptive behaviors in psychiatric illness. These findings describe nuanced structural connectivity that sets the foundation to better understand how the hippocampus influences reward‐guided behavior in humans.
Food‐derived extracellular vesicles in the human gastrointestinal tract: Opportunities for personalised nutrition and targeted therapeutics
Authors: Turner Natalie P. 
Published: May 2024

AbstractFood‐derived extracellular vesicles (FDEVs) such as those found in mammalian milk and plants are of great interest for both their health benefits and ability to act as biological nanocarriers. While the extracellular vesicle (EV) field is expanding rapidly to perform characterisation studies on FDEVs from plants, yeasts and bacteria, species‐specific differences in EV uptake and function in the human gastrointestinal (GI) tract are poorly understood. Moreover, the effects of food processing on the EV surfaceome and intraluminal content also raises questions surrounding biological viability once consumed. Here, I present a case for increasing community‐wide focus on understanding the cellular uptake of FDEVs from different animal, plant, yeast, and bacterial species and how this may impact their function in the human, which will have implications for human health and therapeutic strategies alike.
Transdermal bisoprolol for prevention of postoperative atrial fibrillation: A systematic review and meta‐analysis
Authors: Kim Andrew G. , Banga Sandeep , Ang Qi Xuan , Atti Lalitsiri , Ghnaima Harith , AlAttal Saif , Banga Preeti , Wilcox Matthew D. 
Published: May 2024

AbstractBackgroundThe transdermal patch of bisoprolol available in Japan has been reported to demonstrate superior efficacy in preventing postoperative atrial fibrillation, possibly surpassing its oral counterpart. However, there has been no systematic review and meta‐analysis assessing the efficacy of transdermal bisoprolol.MethodsA comprehensive systematic literature search was conducted on PubMed, Embase, and Cochrane to identify all relevant studies assessing the efficacy of transdermal bisoprolol in preventing postoperative atrial fibrillation. The search covered studies from inception up to December 4, 2023. For data analysis, Review Manager (RevMan) 5.4 software was employed, using a random‐effects model to calculate risk ratios (RR) and 95% confidence intervals (CI).ResultsThree studies, comprising a total of 551 patients (transdermal bisoprolol 228 and control 323), were included. There was a decreased risk of postoperative atrial fibrillation or atrial tachyarrhythmias in patients treated with transdermal bisoprolol (RR 0.43, 95% CI 0.27–0.67, p = .0002, I2 = 0%).ConclusionTransdermal administration of bisoprolol has consistently shown efficacy, and this pooled analysis supports its effectiveness. The heterogeneity of the included studies limits certain interpretations. Future randomized clinical trials may elucidate the superiority of transdermal administration over oral administration.