bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly Efficient Blue Organic Light‐Emitting Devices Based on “Cross”‐Shaped Hot Exciton Emitters
Authors: Liu Chunyu , Liu Denghui , Li Deli , Wang Tong , Liu Di , Mu Xilin , Zhang Jiasen , Feng Tingting , Fang Kaibo , Su Shi‐Jian , Zhou Yubo , Wu Siyao , Li Wei , Ge Ziyi 
Published: November 2024

AbstractThe development of blue electroluminescent (EL) materials remains a significant challenge in organic light‐emitting diode (OLED) technology. In this study, a novel design strategy is proposed for blue hot exciton (HE) materials, which involves utilizing a “cross” shaped molecular structure characterized by substantial steric hindrance and a highly twisted conformation. The unique cross‐shaped molecular architecture with distinct “arms” enables flexible control over the excited state properties of the molecule, thereby facilitating precise modulation of high‐lying triplet and low‐lying singlet excited state energy levels. Furthermore, the 3D spatial configuration of the molecule effectively reduces close molecular packing, thereby minimizing the risk of material concentration quenching. The proof‐of‐concept HE emitters CN‐PI and TP‐PI exhibit non‐π‐π stacking configurations in single crystals, achieving high photoluminescence quantum yield (PLQY) values up to 51.3% and 46.5% in non‐doped thin films, respectively, along with rapid radiation decay rates and reasonable distribution of Tm (m ≤ 5) and S1 states. Non‐doped OLEDs incorporating these emitters demonstrate exceptional external quantum efficiencies (EQE), reaching 7.3% and 6.4%, respectively, while exhibiting minimal efficiency roll‐off at high luminance. This research introduces a promising approach for developing high‐performance blue HE emitters.
Facet Engineering Modulates d‐π* Hybridization for Boosting Antimicrobial Activity
Authors: Yu Kun , Ji Huichao , Ye Guangli , Fu Liangjie , Dong Xiongbo , Yang Huaming 
Published: November 2024

AbstractReactive oxygen species (ROS) have been growing as an emerging “hot” topic in antimicrobial applications. However, optimizing antimicrobial activity by enhancing ROS generation remains a formidable challenge. Here, using bassanite as a proof of concept, the facet engineering of bassanite matrix can enhance the ROS generation efficiency via tuning the d‐band center of Cu atom is proposed. Theoretical calculation and experimental investigations reveal that the d‐band center of Cu atoms is significantly shifted upward when Cu doped into the (204) facet of bassanite compared to the (400) facet. A higher d‐band center facilitates adsorption and activation between Cu and O2 through the formation of stronger d‐π* orbital hybridization, resulting in increased ROS production. Through engineering, the material exhibits better antimicrobial activity when Cu doped into the (204) facet, which presents a clear potential in construction materials and personal protection. This work shed light on designing new materials with high antimicrobial activity and the application of facet engineering.
Stimuli‐Responsive Optical Materials Based on Hypervalent Antimony‐Containing Conjugated Molecules
Authors: Tanimura Kazuya , Gon Masayuki , Tanaka Kazuo , Chujo Yoshiki 
Published: November 2024

AbstractStimuli‐responsive materials have been applied for sensor devices because they can transform and amplify various target stimuli into observable signals. Much effort has been devoted to exploring effective molecular designs for obtaining stimuli‐responsive behaviors by taking advantage of the unique optoelectronic properties of π‐conjugated molecules involving various elements. This study focuses on the modulation of the electronic state of the π‐conjugated scaffolds by the oxidation number change of the hypervalent antimony. This study demonstrate that the strength of the intramolecular interaction between hypervalent antimony and the π‐conjugated framework can be tuned with ligand structure, substituent effect, and oxidation number shifts of hypervalent antimony. In particular, the color changes represented by hypsochromic and bathochromic wavelength shifts of optical bands are achieved by the oxidative reaction of hypervalent antimony in the solid state. Significantly, the direction of the color changes can be confidently predicted by quantum chemical calculations. The findings, based on the electronic interaction between π‐conjugated scaffolds and hypervalent main‐group elements, provide logical design strategies for advanced stimuli‐responsive materials.
Closed‐Loop Recyclable and Extrusion Reprocessable Thermosets Enabled by Guanylthiourea Structure
Authors: Yu Zhen , Liu Yanlin , Zhou Xiangyu , Fang Yajin , Tang Zhaobin , Zhu Jin , Zhang Junping 
Published: November 2024

AbstractPlastic recycling is a critical step toward improving waste management and achieving economic recycling. Here, a thermoset crosslinked by guanythiourea structure (GTUH network) is reported, that addresses the recycling issue of thermosets by serial hybridization of thiourea and guanidine urea. The dual dissociative dynamic exchange reaction of guanamine urea and thiourea, combined with non‐covalent hydrogen bonding interactions, endows the network with rapid relaxation ability. GTUH networks, in particular, can be recycled through continuous extrusion processing due to multiple reversible mechanisms, as opposed to hot pressing alone. Even if reprocessed by hot pressing, only 5 min at 140 °C and 10 MPa are required. The oxidation enhancement mechanism of thiourea contributes to maintaining or even improving the mechanical properties of the recycled network. Moreover, the dynamic reactions of guanythiourea structure allow for closed‐loop chemical recycling of the network. Research into recyclable carbon fiber‐reinforced composites indicates promising potential applications for this material in the circular economy and resources.
Thermoelectric Transport Driven by the Hilbert–Schmidt Distance
Authors: Oh Chang‐geun , Kim Kun Woo , Rhim Jun‐Won 
Published: November 2024

AbstractThe geometric characteristics of Bloch wavefunctions play crucial roles in the properties of electronic transport. Within the Boltzmann equation framework, we demonstrate that the thermoelectric performance of materials is significantly influenced by the Hilbert–Schmidt distance of Bloch wavefunctions. The connection between the distribution of quantum distance on the Fermi surface and the electronic transport scattering rate is established in the presence of magnetic and nonmagnetic impurities. The general formulation is applied to isotropic quadratic band‐touching semimetals, where one can concentrate on the role of quantum geometric effects other than the Berry curvature. It is verified that the thermoelectric power factor can be succinctly expressed in terms of the maximum quantum distance, dmax. Specifically, when dmax reaches one, the power factor doubles compared to the case with trivial geometry (dmax = 0). These findings highlight the significance of quantum geometry in understanding and improving the performance of thermoelectric devices.
Detecting a Stalker: The Effect of Body Posture, Gaze Direction, and Camouflage Pattern on Predator Detection
Authors: de Moraes Pedro Z. , Diniz Pedro , Pessoa Daniel M. A. 
Published: November 2024

ABSTRACTThe success of a predatory attack is related to how much a predator manages to approach a prey without being detected. Some carnivore mammals use environmental objects (e.g., leaves and branches) as visual obstacles during stalking behavior, allowing them to expose only parts of their bodies while approaching and visual monitoring their prey. Here, we investigate the influence of carnivores’ body postures, gaze direction, and camouflage pattern on their detection by prey. To do so, we photographed taxidermized carnivore models (cougar, ocelot, and lesser grison) in their preserved natural habitats and presented these images to human dichromats (i.e., colourblinds) and trichromats (i.e., normal color vision). Our findings highlight the importance of body outline and gaze as search images during predator detection tasks. We also demonstrate that coat and facial color patterns can camouflage predator's body outline and gaze. This is the first behavioral evidence that the facial coloration of natural predators might mask their gaze to potential prey. Furthermore, we observed that carnivore coat color patterns may serve as an additional cue for trichromats, particularly in hidden carnivore detection tasks that proved to be more challenging for dichromats. Our results show possible strategies that evolved between predator and preys, in which prey make use of body outlines, gaze direction, and coat color to improve predator detection, while predators potentially evolved stalking behavior and body/gaze camouflage as counter strategies to cope with the improvements in prey's perception and conceal their presence.
Construction of a Cell Factory for the Targeted and Efficient Production of Phytosterol to Boldenone in Mycobacterium neoaurum
Authors: Zhang Bo , Zhu Sifang , Zhu Yi , Sui Xin , Zhou Junping , Liu Zhiqiang , Zheng Yuguo 
Published: November 2024

ABSTRACTBoldenone (BD), a protein anabolic hormone, is commonly used to treat muscle damage, osteoporosis, and off‐season muscle building in athletes. Traditional BD synthesis methods rely on chemical processes, which are costly and environmentally impactful. Therefore, developing a more sustainable and economical biosynthetic pathway is crucial for BD production. This study aimed to achieve efficient production of BD. Firstly, the catalytic performance of 17β‐hydroxysteroid dehydrogenase and 3‐ketosteroid‐Δ1‐dehydrogenase was improved through enzyme engineering, and their expression in the new strain of Mycobacterium neoaurum was enhanced using metabolic engineering. These improvements significantly increased BD production to 4.05 g/L, with a significant decrease in by‐product generation. To further increase the yield, a multi‐enzyme fusion expression system was constructed, and a key cell wall gene kasB was knocked out, resulting in a spatial‐time yield of BD reaching 1.02 g/(L·d). Subsequent optimization of the transformation system further increased the BD production to 5.56 g/L, with a spatiotemporal yield of 1.39 g/(L·d). The green biosynthetic route of phytosterol one‐step conversion to BD developed in this study lays the foundation for industrial production.
A Methodological Quality Assessment of Meta‐Analyses on Sleep Disorder Treatments Using AMSTAR 2
Authors: Ho Leonard , Kwok Yan Ling , Chen Xi , Wu Irene X. Y. , Mao Chen , Chung Vincent Chi Ho 
Published: November 2024

ABSTRACTBackground: Meta‐analyses (MAs) provide up‐to‐date, quantified evidence on treatment effects, which may be useful for clinical and policy decision‐making. However, the quality of MAs varies, and methodological flaws can limit their reliability.Aims: This review evaluated the methodological quality of MAs on sleep disorder treatments.Methods: We searched MEDLINE, EMBASE, and PsycINFO for eligible MAs on randomized controlled trials of sleep disorder treatments published between 2018 and 2023. We extracted MAs' bibliographical characteristics with a predesigned form and appraised their methodological quality using AMSTAR (A Measurement Tool to Assess Systematic Reviews) 2. We explored the associations between bibliographical characteristics and methodological quality ratings using Kruskal–Wallis tests and Spearman's rank correlation coefficients.Results/Outcomes: Among the 104 MAs, the majority (n = 82; 78.9%) had critically low quality, 19 (18.3%) had low quality, and only 3 (2.9%) had high quality. Regarding AMSTAR 2 critical domains, 97 (93.3%) MAs did not provide a list of excluded studies and justify the exclusions, 75 (72.1%) did not use a comprehensive literature search strategy, and 56 (53.9%) lacked a registered protocol and did not justify protocol deviations. Cochrane reviews (p = 0.018), MAs with European corresponding authors (p < 0.001), and MAs receiving European funding (p < 0.001) performed better than their counterparts.Conclusions/Interpretation: The methodological quality of recent MAs on sleep disorder treatments is unsatisfactory. Future reviewers should address the identified critical methodological issues. In addition, substantial resources and funding should be allocated to support training in evidence synthesis and critical appraisal for researchers and clinicians.
Evaluation of Carotid Stenosis in a High‐Stroke‐Risk Population by Hemodynamic Dual‐Parameters Based on Ultrasound Vector Flow Imaging
Authors: Hong Shaofu , Dong Yinghui , Gao Wenjing , Song Di , Liu Mengmeng , Li Weiyue , Du Yigang , Xu Jinfeng , Dong Fajin 
Published: November 2024

ABSTRACTObjectiveThis study explored the feasibility of using high‐frame‐rate ultrasound vector flow imaging (VFI) to quantitatively assess hemodynamics in atherosclerotic internal carotid artery stenosis (ICAS) by evaluating dual‐parameters, turbulence index (Tur), and wall shear stress (WSS). Their efficacy in evaluating carotid artery stenosis was also analyzed.MethodsFifty‐nine patients with ICAS were enrolled. B‐mode ultrasound and V Flow (a high‐frame‐rate VFI) were performed using the Resona R9 system. The stenosis rate was measured in grayscale mode, whereas the time‐averaged Tur index, the time‐averaged WSS (WSSmean), and maximum WSS (WSSmax) around stenosis were measured. The combined diagnostic efficacy of Tur inand WSS was also investigated.ResultsCompared to proximal to stenosis (Tur index, 2.88% ± 3.65%), highly disordered blood flow was observed in the stenotic (23.17% ± 15.52%, p < 0.001) and distal segment (25.86% ± 17.29%, p < 0.001). WSSmax ([11.91 ± 6.73] vs. [4.43 ± 5.4] Pa, p < 0.001) and WSSmean ([3.42 ± 2.67] vs. [0.86 ± 1.21] Pa, p < 0.001) were significantly bigger in stenotic than those in the distal segment. The differences in the ratio WSSmax/Tur or WSSmean/Tur among different segments around stenosis were statistically significant (p < 0.001). The combination of Tur index and WSS had the best diagnostic performance in ICAS (AUC, 0.899).ConclusionThe application of Tur index and WSS for quantitative assessment of ICAS hemodynamic changes is feasible, with the combined evaluation of these two parameters providing incremental diagnostic value for carotid artery stenosis. VFI‐based dual quantitative parameters may offer promising noninvasive diagnostic tools for carotid artery stenosis in high‐stroke‐risk populations.
Machine Learning Models to Predict Bone Metastasis Risk in Patients With Lung Cancer
Authors: So Kevin Wang Leong , Leung Evan Mang Ching , Ng Tommy , Tsui Rachel , Cheung Jason Pui Yin , Choi Siu‐Wai 
Published: November 2024

ABSTRACTIntroductionThe aim of this study was to find the most appropriate variables to input into machine learning algorithms to identify those patients with primary lung malignancy with high risk for metastasis to the bone.Patient InclusionPatients with either histological or radiological diagnoses of lung cancer were included in this study.ResultsThe patient cohort comprised 1864 patients diagnosed from 2016 to 2021. A total of 25 variables were considered as potential risk factors. These variables have been identified in previous studies as independent risk factors for bone metastasis. Treatment methods for lung cancer were taken into account during model development. The outcome variable was binary, (presence or absence of bone metastasis) with follow‐up until death or 12‐month survival, whichever is the sooner. Results showed that American Joint Committee on Cancer staging, the use of EGFR inhibitor, age, T‐staging, and lymphovascular invasion were the five input features contributing the most to the model algorithm. High AJCC staging (OR 1.98; p < 0.05), the use of EGFR inhibitor (OR 6.14; p < 0.05), high T‐staging (OR 1.47; p < 0.05), and the presence of lymphovascular invasion (OR 4.92; p < 0.05) increase predicted risk of bone metastasis. Conversely, older age reduces predicted bone metastasis risk (OR 0.98; p < 0.05).ConclusionThe machine learning model developed in this study can be easily incorporated into the hospital's Clinical Management System so that input variables can be immediately utilized to give an accurate prediction of bone metastatic risk, therefore informing clinicians on the best treatment strategy for that individual patient.
The journey of therapists diagnosed with psychiatric disorders in adolescence
Authors: Yüksel Elif , Çalışkan Esin , Demir Eylül Ceren 
Published: November 2024

AbstractBackgroundAlthough psychotherapists' motivations in choosing the profession have been investigated, there is not enough information in the literature about how personal motivations affect their choice of becoming a psychotherapist. For this reason, this study aimed to reveal the reasons why therapists who received a psychiatric diagnosis during adolescence chose this profession and their relationship with the disease.MethodsTo explore this, semi‐structured interviews were conducted with five female psychotherapists in Turkey who had a psychiatric diagnosis between the ages of 12 and 18 years and had at least a clinical master's degree and practical experience. Interpretative phenomenological analysis (IPA) was used in the research.FindingsThree superordinate themes and nine subthemes depending on these superordinate themes were created: the first theme, ‘Identity’, has three subthemes; the second theme, ‘Why I chose this profession and what I found’, has five subthemes; and the final theme, ‘Being a diagnostic psychotherapist’, has two subthemes.ConclusionThis study suggests that incorporating therapists' personal experiences into supervision may contribute to improved professional skills, patient interactions and the overall effectiveness of therapy.
Designer Helical Fibers and Tubes: Self‐assembling Hybrid Peptides via Leu/Ile‐Phe Zipper
Authors: Dutta Souvik , Haridas V. 
Published: November 2024

AbstractHere, we present a family of simple peptides that show diverse self‐assembling behaviors. We used aliphatic (Leu/Ile) and aromatic (Phe) amino acids to delineate our design. The design consists of phenylene urea at the N‐terminus of the peptide. The urea peptides with sequence Phe‐LeuOMe (1) or Phe‐IleOMe (2) associate to form polygonal peptide tubes via zipper arrangements, supported by microscopic and single crystal X‐ray diffraction studies. The peptide with Phe placed away from the phenylene urea (3 and 4), showed fibrous assembly. All the peptides showed autofluorescence and red edge excitation behavior upon self‐assembly.
An Interdisciplinary Approach Provides Insights into the Pronounced Selectivity of Compound 42 for DPP9
Authors: Beyens Olivier , Corthaut Sam , Lambeir Anne‐Marie , Van Der Veken Pieter , Sterckx Yann G.‐J. , De Meester Ingrid , De Winter Hans 
Published: November 2024

AbstractDipeptidyl peptidase 8 (DPP8) and 9 (DPP9) are proteases gaining significant attention for their role in health and disease. Distinctive studies of these proteases are hampered by their close homology. Furthermore, designing selective compounds is a major challenge due to the highly conserved catalytic site. Here, we provide mechanistic insights underlying the DPP9‐over‐DPP8 selectivity of the semi‐selective inhibitor “Compound 42”. We performed enhanced sampling molecular dynamics simulations to investigate the binding pose of “Compound 42”, which enabled the design of various DPP9 mutants that were characterized through a combination of biochemical (Ki determinations) and in silico approaches. Our findings show that DPP9 residue F253 is an important selectivity‐determining factor. This work marks the discovery and validation of a structural feature that can be exploited for the design of DPP8 or DPP9 selective inhibitors.
Small Brains: Body Shape Constrains Tissue Allocation to the Central Nervous System in Ant‐Mimicking Spiders
Authors: Kelly Michael B. J. , Penna‐Gonçalves Vanessa , Willmott Nikolas J. , McLean Donald James , Black Jay R. , Wolff Jonas O. , Herberstein Marie E. 
Published: November 2024

ABSTRACTIn Batesian mimicry, mimetic traits are not always as convincing as predicted by theory—in fact, inaccurate mimicry with only a superficial model resemblance is common and taxonomically widespread. The “selection trade‐offs hypothesis” proposes a life‐history trade‐off between accurate mimetic traits and one or more vital biological functions. Here, using an accurate myrmecomorphic (ant‐mimicking) jumping spider species, Myrmarachne smaragdina, we investigate how myrmecomorphic modifications to the body shape impact the internal anatomy in a way that could be functionally limiting. Specifically, via x‐ray micro‐computed tomography (microCT), we quantify how the spider's constricted prosoma, which emulates the head and thorax of ants, impacts the size of the central nervous system (CNS) and the venom glands. Although, relative to their whole‐body mass, we found no significant difference in venom gland volume, the CNS of the ant‐mimicking jumping spider was significantly smaller when compared with a relatively closely related non‐mimic jumping spider, indicating that some trade‐off between mimic accuracy and size of neural anatomy, as articulated by the “selection trade‐offs hypothesis,” is a possibility. Our explorative evidence enables and encourages broader investigation of how variable mimic accuracy impacts the neuroanatomy in ant mimics as a direct test of the “selection trade‐offs hypothesis.”
Harnessing Deep Eutectic Solvents for Regioselective Polar Additions to α, β Unsaturated Ketones and Aldehydes
Authors: Platten Andrew W. J. , Manasi Iva , Campana Mario , Edler Karen J , Hevia Eva 
Published: November 2024

AbstractAdvancing the use of air‐sensitive polar organometallic Grignard and organolithium reagents under more environmentally benign conditions, here we report the addition of these reagents to α,β‐unsaturated ketones and aldehydes using the deep eutectic solvent (DES) choline chloride (ChCl): glycerol (Gly) (1 : 2), under air. Reactions occur at room temperature within seconds with excellent regioselective control. Furthering understanding of how these C‐C bond forming processes take place in these reaction media, we have explored the surface concentration of the organic substrate (chalcone) in DES using interfacial tension and neutron reflectivity measurements, finding that chalcone is concentrated at the DES‐hydrocarbon interface compared to the bulk concentration, although the interfacial chalcone concentration is still relatively low in this system. The influence of aggregation of the organometallic reagent in the organic solvent employed has also been evaluated, revealing the importance of achieving a balance between activation (via de‐aggregation) and stability (to avoid its decomposition in the DES). This DES approach has been successfully extended to double additions to α,β‐unsaturated esters and for one pot sequential 1,4 and 1,2 additions to ketones, providing a new entry point to a range of tertiary‐alcohols, minimising the use of organic solvents and avoiding intermediate time‐consuming purification steps.