bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering Ultrathin Alloy Shell in Au@AuPd Core‐Shell Nanoparticles for Efficient Plasmon‐Driven Photocatalysis
Authors: Kang Eunbi , Seo Jinho , Park Hyewon , Wrasman Cody J. , Shin Jae Won , Jo Min‐kyun , Cargnello Matteo , Park Jeong Young , Lee Hyosun 
Published: April 2024

AbstractBimetallic core‐shell nanoparticles (NPs) possessing a synergetic coupling of plasmonic and catalytic metals have emerged as promising prototypes for efficient plasmon‐driven photocatalysis. Here, Au@AuPd core‐shell NPs composed of Au core NP and ultrathin AuPd shell are introduced to acquire improved light utilization efficiency in photocatalytic selective oxidation. With systematical control of the composition of the ultrathin alloy shell, it reveals that the Au@AuPd core‐shell NPs with 10 at% Pd (in the single‐atom alloy regime) is an effective nanostructure capable of maximizing the quantum yield of plasmon‐induced light absorption and optimizing the surface electronic structure for catalytic reactions. This controlled system provides new insights into shell engineering for enhancing photocatalytic performance via the regulation of energy funneling processes in core‐shell nanocatalysts.
Advancing SERS Diagnostics in COVID‐19 with Rapid, Accurate, and Label‐Free Viral Load Monitoring in Clinical Specimens via SFNet Enhancement
Authors: Yang Yanjun , Li Hao , Jones Les , Murray Jackelyn , Naikare Hemant , Mosley Yung‐Yi C. , Spikes Teddy , Hülck Sebastian , Tripp Ralph A. , Ai Bin , Zhao Yiping 
Published: April 2024

AbstractThis study presents an integrated approach combining surface‐enhanced Raman spectroscopy (SERS) with a specialized deep learning algorithm, SFNet, to offer a rapid, accurate, and label‐free alternative for COVID‐19 diagnosis and viral load quantification. The SiO2‐coated silver nanorod arrays are employed as the SERS substrates, fabricated using a reliable and effective glancing angle deposition technique. A dataset of 4800 SERS spectra from 120 positive and 120 negative inactivated clinical human nasopharyngeal swabs are collected directly on the SERS substrates without any labels. A SFNet algorithm is tailored to adapt to the unique spectral features inherent to SERS data, achieving a test accuracy of 98.5% and a blind test accuracy of 99.04%. Moreover, an optimized SFNet algorithm unveils the capability of estimating SARS‐CoV‐2 viral loads, accurately predicting the cycle threshold values (Ct values) of the three vital gene fragments with a root mean square error (RMSE) of 1.627 (1.3 for blind test). The methodology is substantiated using actual clinical specimens and completed in <15 min, thereby strengthening its real‐world point‐of‐care applicability. This rapid and precise yet label‐free modality competes favorably with classical reverse‐transcription real‐time polymerase chain reaction (RT‐PCR) and marks an advancement in SERS‐based sensor algorithms.
Boosting Aluminum Storage in Highly Stable Covalent Organic Frameworks with Abundant Accessible Carbonyl Groups
Authors: Peng Xiyue , Baktash Ardeshir , Alghamdi Norah , Rana Md Masud , Huang Yongxin , Hu Xinyue , He Cailing , Luo Zhiruo , Ning Jing , Wang Lianzhou , Luo Bin 
Published: April 2024

AbstractAluminum batteries employing organic electrode materials present an appealing avenue for sustainable and large‐scale energy storage. Nevertheless, conventional organic materials encounter limitations due to their restricted active sites, known instability, and sluggish redox kinetics. In this study, a redox‐active covalent organic framework supported by CNT is reported, enriched with substantial C═O groups, as an advanced cathode material for Al‐organic batteries. Theoretical simulation and ex situ analysis unveil the pivotal roles of C═O groups in effectively storing AlCl2+. As a result, Al batteries with the organic cathode exhibit a specific capacity of 290 mAh g−1 at 0.2 A g−1 and outstanding rate performance. Furthermore, it retains a reversible capacity of 170 mAh g−1 even after 32 000 cycles at 10 A g−1 and attains an energy density of 389 Wh kg−1. The remarkable performance stems not only from the abundant C═O and C─N groups enabling the storage of multiple AlCl2+ by the favorable pseudocapacitive process, but also from the synergistic interplay between the robust COF network and the conductive CNT channels that significantly enhances structural stability and accelerates ion/electron diffusion. This work stands to inspire further research in the pursuit of stable organic cathodes, fostering designs with plentiful accessible redox‐active sites to boost energy storage capabilities.
Sustainable biomedical microfibers from natural products
Authors: Guo Jiahui , Cao Xinyue , Luo Zhiqiang , Zhu Yujuan , Zhao Yuanjin , Gu Xiaosong 
Published: April 2024

AbstractMicrofibers from natural products are endowed with remarkable biocompatibility, biodegradability, sustainable utilization as well as environmental protection characteristics etc. Benefitting from these advantages, microfibers have demonstrated their prominent values in biomedical applications. This review comprehensively summarizes the relevant research progress of sustainable microfibers from natural products and their biomedical applications. To begin, common natural elements are introduced for the microfiber fabrication. After that, the focus is on the specific fabrication technology and process. Subsequently, biomedical applications of sustainable microfibers are discussed in detail. Last but not least, the main challenges during the development process are summarized, followed by a vision for future development opportunities.
Botany and geogenomics: Constraining geological hypotheses in the neotropics with large‐scale genetic data derived from plants
Authors: Bedoya Ana M. 
Published: April 2024

AbstractDecades of empirical research have revealed how the geological history of our planet shaped plant evolution by establishing well‐known patterns (e.g., how mountain uplift resulted in high rates of diversification and replicate radiations in montane plant taxa). This follows a traditional approach where botanical data are interpreted in light of geological events. In this synthesis, I instead describe how by integrating natural history, phylogenetics, and population genetics, botanical research can be applied alongside geology and paleontology to inform our understanding of past geological and climatic processes. This conceptual shift aligns with the goals of the emerging field of geogenomics. In the neotropics, plant geogenomics is a powerful tool for the reciprocal exploration of two long standing questions in biology and geology: how the dynamic landscape of the region came to be and how it shaped the evolution of the richest flora. Current challenges that are specific to analytical approaches for plant geogenomics are discussed. I describe the scale at which various geological questions can be addressed from biological data and what makes some groups of plants excellent model systems for geogenomics research. Although plant geogenomics is discussed with reference to the neotropics, the recommendations given here for approaches to plant geogenomics can and should be expanded to exploring long‐standing questions on how the earth evolved with the use of plant DNA.
Compensated Hypogonadism Identified in Males with Cluster Headache: A Prospective Case‐Controlled Study
Authors: Petersen Anja S. , Kristensen David M. , Westgate Connar S. J. , Folkmann‐Hansen Thomas , Lund Nunu , Barloese Mads , Søborg Marie‐Louise K. , Snoer Agneta , Johannsen Trine H. , Frederiksen Hanne , Juul Anders , Jensen Rigmor H. 
Published: April 2024

ObjectiveAndrogens have been hypothesized to be involved in the pathophysiology of cluster headache due to the male predominance, but whether androgens are altered in patients with cluster headache remains unclear.MethodsWe performed a prospective, case‐controlled study in adult males with cluster headache. Sera were measured for hormones including testosterone, luteinizing hormone (LH), and sex hormone‐binding globulin in 60 participants with episodic cluster headache (during a bout and in remission), 60 participants with chronic cluster headache, and 60 age‐ and sex‐matched healthy controls. Free testosterone (fT) was calculated according to the Vermeulen equation. Shared genetic risk variants were assessed between cluster headache and testosterone concentrations.ResultsThe mean fT/LH ratio was reduced by 35% (95% confidence interval [CI]: 21%–47%, p < 0.0001) in patients with chronic cluster headache and by 24% (95% CI: 9%–37%, p = 0.004) in patients with episodic cluster headache compared to controls after adjusting for age, sleep duration, and use of acute medication. Androgen concentrations did not differ between bouts and remissions. Furthermore, a shared genetic risk allele, rs112572874 (located in the intron of the microtubule associated protein tau (MAPT) gene on chromosome 17), between fT and cluster headache was identified.InterpretationOur results demonstrate that the male endocrine system is altered in patients with cluster headache to a state of compensated hypogonadism, and this is not an epiphenomenon associated with sleep or the use of acute medication. Together with the identified shared genetic risk allele, this may suggest a pathophysiological link between cluster headache and fT. ANN NEUROL 2024;95:1149–1161
In Silico Screening and Experimental Verification of Near‐Infrared‐Emissive Two‐Boron‐Doped Polycyclic Aromatic Hydrocarbons
Authors: Hattori Izumi , Hagai Masaya , Ito Masato , Sakai Mika , Narita Hiroki , Fujimoto Kazuhiro J. , Yanai Takeshi , Yamaguchi Shigehiro 
Published: April 2024

AbstractEmbedding two boron atoms into a polycyclic aromatic hydrocarbon (PAH) leads to the formation of a neutral analogue that is isoelectronic to the corresponding dicationic PAH skeleton, which can significantly alter its electronic structure. Based on this concept, we explore herein the identification of near‐infrared (NIR)‐emissive PAHs with the aid of an in silico screening method. Using perylene as the PAH scaffold, we embedded two boron atoms and fused two thiophene rings to it. Based on this design concept, all possible structures (ca. 2500 entities) were generated using a comprehensive structure generator. Time‐dependent DFT calculations were conducted on all these structures, and promising candidates were extracted based on the vertical excitation energy, transition dipole moment, and atomization energy per bond. One of the extracted dithieno‐diboraperylene candidates was synthesized and indeed exhibited emission at 724 nm with a quantum yield of 0.40 in toluene, demonstrating the validity of this screening method. This modification was further applied to other PAHs, and a series of thienobora‐modified PAHs was synthesized.
Water soluble Zinc(II) complexes: Geometrical, thermal, DNA/HSA/BSA binding, and cytotoxicity studies
Authors: Jayasri Boddula , Shekhar Banoth , P.V. Anantha Lakshmi 
Published: April 2024

The ternary complexes of the zinc(II), [Zn(met)(gly)(Cl)2] (1), and [Zn(met)(hist)(Cl)2] (2) are synthesized and illustrated utilizing spectroscopic and analytical measurements, and the geometry of the complexes has been identified to be octahedral. The Coats Red fern approach was employed to enumerate the thermodynamic and kinetic variables for both the Zn(II) complexes' decomposition. The quantum chemical variables were estimated utilizing the molecular orbital conformations' energy distribution, which was derived from optimal geometric shapes to test the stabilization of both complexes. DNA‐binding investigations by UV–Vis absorption, fluorescence, and viscosity were all exploited to examine the bonding properties between Zn(II) complexes and ct‐DNA, and a groove mode of bonding was established. The interactions between complexes and BSA/HSA were investigated by employing absorption and emission spectroscopic methods. The results demonstrate that complexes have a powerful ability to diminish BSA and HSA luminescence intensity, and overall associating mode is predominantly a static quenching process.The cytotoxic effect of the two Zn(II) complexes was additionally examined in human breast adenocarcinoma (MCF‐7 and MDA‐MB‐231) cell lines by employing the MTT technique. The IC50 values for every cell line were derived. Each of the two complexes was functional in both cell lines.
Unveiling the dual functionality of dimeric Cu(I)/(II) crystal as luminescence and electrochemical probe for Zn2+ and glucose detection—Structural, sensing and molecular docking studies
Authors: Shanjitha Shanmugasundaram , Premnath Dhanaraj , Suvarnna Kumaresan , Kirubavathy Suyambulingam Jone 
Published: April 2024

A new crystalline dinuclear Cu(I)/(II) complex (E.F: C32H28Cu2N6O14) (1) of terephthalic acid (TERE) and 1, 10‐Phenathroline (PHEN) was synthesized under one‐pot approach. Structure identification of the complex was carried out using the single crystal XRD technique, which revealed the penta coordination nature of Cu(I)/(II) in a square pyramidal environment. Further, the structural data was supported by employing other spectroscopic studies (UV, ESR, FT‐IR). In addition, the thermal stability and morphology of the complex were elucidated using TGA and SEM‐EDAX analysis. Photoluminescence experiments revealed the capability of 1 to act as a “turn‐off” sensor towards Zn2+ sensing. This luminescence quenching of 1 exhibited a threefold quenching in intensity by achieving a static quenching process corresponding to a limit of detection (LOD) of 3.7 μM. Further, considering the electroactive nature of Cu(I)/(II) complex, the cyclic voltammetric experiments were performed to study its competence to act as a modifier of GCE for the detection of glucose and its excellent potency to act as an effective electroactive material in the detection of glucose solutions. Also, molecular docking of 1 with human bovine serum (HSA) and bovine serum albumin (BSA) was investigated to prove their ability to act as pharmacological agents.
Cover Image, Volume 141, Issue 18
Authors: Naqi Ahmad , Bischoff Derek J. , Mackay Michael 
Published: April 2024

The cover designed by Kelly Walker shows the use of maleic anhydride (MAH) interfacial grafting improves the compatibility of 3D printed dual material specimens containing high‐density polyethylene (HDPE) and acrylonitrile‐butadiene‐styrene (ABS). Using a custom‐made die affording the core‐shell structure, the ABS‐g‐MAH is shown to improve the impact resistance by 253% and 16% compared to neat HDPE and ABS specimens, respectively. Additionally, a 10% increase compared to the unmodified ABS‐HDPE core‐shell configuration is observed. DOI: 10.1002/app.55301
image
Outcomes of Patients With Diffuse Systemic Sclerosis Eligible for Autologous Stem Cell Transplantation Treated With Conventional Therapy
Authors: Gregory Kate , Hansen Dylan , Penglase Ross , Apostolopoulos Diane , Ngian Gene‐Siew , Stevens Wendy , Morrisroe Kathleen , Ferdowsi Nava , Ross Laura , Walker Jennifer , Cooley Helen , Youssef Peter , Tymms Kathleen , Host Lauren , Proudman Susanna , Moore John , Nikpour Mandana , Sahhar Joanne 
Published: April 2024

ObjectiveThe study objective was to determine the event‐free survival (EFS) of Australian patients with diffuse cutaneous systemic sclerosis (dcSSc) who met eligibility criteria for autologous stem cell transplant (ASCT) in previously published randomized controlled trials but were not treated with ASCT.MethodsPatients who met inclusion criteria for the Autologous Stem Cell Transplantation International Scleroderma (ASTIS) and Scleroderma: Cyclophosphamide Or Transplantation (SCOT) trials were identified from the multicenter Australian Scleroderma Cohort Study (ASCS). EFS (survival without cardiac, renal, or pulmonary failure or death) at 4 years was assessed. ASCS patients who had already undergone transplantation were excluded from analysis.ResultsOf the 492 patients with dcSSc in the ASCS, 56 met ASTIS inclusion criteria for ASCT (56 of 492 [11.4%]) and 30 met SCOT inclusion criteria (30 of 492 [6.1%]). An additional 11 patients met ASTIS or SCOT inclusion criteria, but they were excluded due to severe organ manifestations. EFS at 4 years in ASCS patients meeting ASTIS inclusion criteria was 83.3% and in ASCS patients meeting SCOT inclusion criteria was 81.2%. EFS at 4 years in ASCS patients who met ASTIS and SCOT inclusion but also exclusion criteria was 46.7% and 45.7%, respectively.ConclusionASCS patients meeting ASTIS and/or SCOT inclusion criteria who were not treated with ASCT have similar EFS at 4 years as patients receiving ASCT and better EFS than those receiving cyclophosphamide in the ASTIS and SCOT trials. This may reflect confounders unable to be controlled for, including survivor bias, but may also reflect improved standard of care for dcSSc over time.
Laser Capture Microscopy RNA Sequencing for Topological Mapping of Synovial Pathology During Rheumatoid Arthritis
Authors: Van Espen Benjamin , Prideaux E. Barton , Wilson Andrew R. , Machado Camilla R. L. , Sendo Sho , Parker James , Seumois Grégory , Sacchetti Cristiano , Belongia Anna C. , Perumal Narayanan B. , Vijayanand Pandurangan , Linnik Matthew D. , Benschop Robert J. , Wang Wei , Bottini Nunzio , Firestein Gary S. , Stanford Stephanie M. 
Published: April 2024

ObjectiveRheumatoid arthritis (RA) is an autoimmune disease in which the joint lining or synovium becomes highly inflamed and majorly contributes to disease progression. Understanding pathogenic processes in RA synovium is critical for identifying therapeutic targets. We performed laser capture microscopy (LCM) followed by RNA sequencing (LCM‐RNAseq) to study regional transcriptomes throughout RA synovium.MethodsSynovial lining, sublining, and vessel samples were captured by LCM from seven patients with RA and seven patients with osteoarthritis (OA). RNAseq was performed on RNA extracted from captured tissue. Principal component analysis was performed on the sample set by disease state. Differential expression analysis was performed between disease states based on log2 fold change and q value parameters. Pathway analysis was performed using the Reactome Pathway Database on differentially expressed genes among disease states. Significantly enriched pathways in each synovial region were selected based on the false discovery rate.ResultsRA and OA transcriptomes were distinguishable by principal component analysis. Pairwise comparisons of synovial lining, sublining, and vessel samples between RA and OA revealed substantial differences in transcriptional patterns throughout the synovium. Hierarchical clustering of pathways based on significance revealed a pattern of association between biologic function and synovial topology. Analysis of pathways uniquely enriched in each region revealed distinct phenotypic abnormalities. As examples, RA lining samples were marked by anomalous immune cell signaling, RA sublining samples were marked by aberrant cell cycle, and RA vessel samples were marked by alterations in heme scavenging.ConclusionLCM‐RNAseq confirms reported transcriptional differences between the RA synovium and the OA synovium and provides evidence supporting a relationship between synovial topology and molecular anomalies in RA.
Evaluation of lipophilicity and drug‐likeness of donepezil‐like compounds using reversed‐phase thin‐layer chromatography
Authors: Šegan Sandra , Krunić Mihajlo J. , Andrić Deana B. , Šukalović Vladimir B. , Penjišević Jelena Z. , Jevtić Ivana I. 
Published: April 2024

AbstractFourteen donepezil‐like acetylcholinesterase (AChE) inhibitors from our library were analyzed using reversed‐phase thin‐layer chromatography to assess their lipophilicity and blood–brain barrier permeability. Compounds possessed N‐benzylpiperidine and N,N‐diarylpiperazine moieties connected via a short carboxamide or amine linker. Retention parameters RM0, b, and C0 were considered as the measures of lipophilicity. Besides, logD of the investigated compounds was determined chromatographically using standard compounds with known logPow and logD values at pH 11. Experimentally obtained lipophilicity parameters correlated well with in silico generated results, and the effect of the nature of the linker between two pharmacophores and substituents on the arylpiperazine part of the molecule was observed. As a result of drug‐likeness analysis, both Lipinski's rule of five and Veber's rule parameters were determined, suggesting that examined compounds could be potential candidates for further drug development. Principal component analysis was performed to obtain an insight into a grouping of compounds based on calculated structural descriptors, experimentally obtained values of lipophilicity, and AChE inhibitory activity.
Manifestations, social impact, and decay of conceptual beliefs: A cultural perspective
Authors: Seitz Rüdiger J. , Paloutzian Raymond F. , Angel Hans‐Ferdinand 
Published: April 2024

AbstractIntroductionBelieving comprises multifaceted processes that integrate information from the outside world through meaning‐making processes with personal relevance.MethodsQualitative Review of the current literature in social cognitive neuroscience.ResultsAlthough believing develops rapidly outside an individual's conscious awareness, it results in the formation of beliefs that are stored in memory and play an important role in determining an individual's behavior. Primal beliefs reflect an individual's experience of objects and events, whereas conceptual beliefs are based on narratives that are held in social groups. Conceptual beliefs can be about autobiographical, political, religious, and other aspects of life and may be encouraged by participation in group rituals. We hypothesize that assertions of future gains and rewards that transcend but are inherent in these codices provide incentives to follow the norms and rules of social groups.ConclusionThe power of conceptual beliefs to provide cultural orientation is likely to fade when circumstances and evidence make it clear that what was asserted no longer applies.
Policy stimulation for the electric vehicle industry: An analysis of mainstream media discourse
Authors: Jain Monika , Talwar Shalini , Rastogi Rashmi , Kaur Puneet , Dhir Amandeep 
Published: April 2024

AbstractMotivated by the indisputable relevance of comprehensively understanding and portraying multiple facets of ongoing conversations on electric vehicles (EVs), we employ critical discourse analysis (CDA) to go beyond the how and why of these discussions and fathom the complex interplays and subtleties. Operationally, we inductively analyze 718 popular media articles published from 2020 through 2023 to distill four cumulative dimensions of the discourse on EVs: industry‐level enabling cues for EV adoption, economy‐level motivations and motivators, impediments to diffusion, and harbingers of change. These four dimensions are further unpacked into 16 themes to provide a more granular interpretation of media discourse on EVs. We provide an exhaustive perspective, navigating several macro and micro aspects to offer tangible theoretical and practical outcomes. In addition to creating a comprehensive point of reference for future research, the study offers substantial inputs for driving the policy agenda in terms of subsidies, start‐ups, and buy‐side barriers.