bluuebunny/crossref_metadata_2025_split huggingface dataset:
Introducing Relatively Isolated In/Out‐Gap Bands in Cs2XCl6 (X = Sn, Hf, Zr, Ti) via B‐Site Substitution: A Route to Brighter Luminescence and Tunable Emission Wavelengths
Authors: Gao Zhenren , Shen Xing , Lyu Pengbo , Xu Changfu , Fan Dong , Sun Lizhong 
Published: September 2023

AbstractBoth theoretical and experimental approaches are utilized to investigate the fluorescence mechanism of B‐site substituted Cs2XCl6 (A2BX6‐type perovskite, X = Sn, Hf, Zr, Ti), aiming to enhance the luminescence and tune the emission wavelengths. Using Te‐monosubstituted Cs2SnCl6 as a model system, thecomputational discovery that the introduction of out‐gap and in‐gap bands by Te can significantly enhance its transition dipole moment is reported. This is further experimentally confirmed, showing a single emission peak resulting from the radiative transition between the out‐gap and in‐gap bands. The broadening of the emission peak is attributed to self‐trapped exciton (STE), while additional absorption/excitation peaks arise from composition segregation. Additionally, the high‐throughput first‐principles calculations indicate that substituting B‐sites of Cs2XCl6 with Se, Te, Po, As, Sb, and Bi may also significantly enhance their light emission with the introduced bands. Thus, fine‐tuning the emission wavelengths by controlling the position of out‐gap and in‐gap bands through cation selection is proposed. Furthermore, tunable white‐light emission is achieved with excellent color stability by adjusting the Te and Bi composition in co‐substituted Cs2SnCl6 material. The findings highlight the potential of utilizing out‐gap and in‐gap bands to tune luminescence in this perovskite family for advanced device applications, including white‐light‐emitting diodes (WLEDs).
Recent Progress in Silicon‐Based Photonic Integrated Circuits and Emerging Applications
Authors: Xiao Zian , Liu Weixin , Xu Siyu , Zhou Jingkai , Ren Zhihao , Lee Chengkuo 
Published: September 2023

AbstractIn recent years, with the further ministration of the semiconductor device in integrated circuits, power consumption and data transmission bandwidth have become insurmountable obstacles. As an integrated technology, photonic integrated circuits (PICs) have a promising potential in the post‐Moore era with more advantages in data processing, communication, and diversified sensing applications for their ultra‐high process speed and low power consumption. Silicon photonics is believed to be an encouraging solution to realize PICs because of the mature CMOS process. The past decades have witnessed a huge growth in silicon PICs. However, there is still a demand for the development of silicon PICs to enable powerful chip‐scale systems and new functionalities. In this paper, a review of the photonic components, functional blocks, and emerging applications for PICs is offered. The common photonic components are classified into several sections, including on‐chip light sources, fiber‐to‐chip couplers, photonic resonators, waveguide‐based sensors, on‐chip photodetectors, and modulators. The functional blocks of the PICs mentioned in this review are photonic memories and photonic neural networks. Finally, the paper concludes with emerging applications for further study.
An Ultrasensitive ReSe2/WSe2 Heterojunction Photodetector Enabled by Gate Modulation and its Development in Polarization State Identification
Authors: Wu Wanglong , Liu Zhiyuan , Qiu Zhicong , Wu Ziqiao , Li Zhongming , Yang Xiong , Han Lixiang , Li Chengyuan , Huo Nengjie , Wang Xiaozhou , Yao Jiandong , Zheng Zhaoqiang , Li Jingbo 
Published: September 2023

AbstractUltrasensitive photodetectors with polarization angle recognition have broad applications in both civilian and military domains. The emerging 2D materials with in‐plane anisotropy offer promising platforms for realizing these applications, owing to their intriguing properties. However, the lack of an effective photoconductivity gain mechanism and the low photocurrent anisotropic ratio have made it challenging to achieve digital output of polarization information. Herein, a gate voltage‐dependent phototransistor based on ReSe2/WSe2 out‐of‐plane heterostructure is proposed. Attributed to sophisticated band alignment engineering, the device exhibits remarkable photoresponse characteristics and polarization sensitivity, including an outstanding responsivity of 2.29 × 104 A W−1, an extraordinary detectivity of 5.65 × 1013 Jones, a prompt rise/decay time of 197/182 µs, as well as a high photocurrent anisotropic ratio of 10.9. Based on these features, the device is integrated into a polarization recognition system, which accurately identifies the polarization angle of the incident light and displays it. These results demonstrate the strong potential of the ReSe2/WSe2 device for future applications in polarization optical communication and logic circuits.
Mixed Anionic Tetrahedra Guided Design of New Infrared Nonlinear Optical Material Cs3Ga8S13Cl with High Laser‐Induced Damage Threshold
Authors: Wang Linan , Tu Chenchen , Zhou Jiazheng , Chu Yu , Yang Zhihua , Pan Shilie , Li Junjie 
Published: September 2023

AbstractThe development of anti‐laser damage infrared (IR) nonlinear optical (NLO) materials is an urgent need but challenging due to the contradiction between wide bandgap and large NLO coefficient. Herein, by introducing a halogen into the NLO‐active tetrahedral unit, two halogenated metal chalcogenides Cs3Ga8S13Cl and Cs9Ga8Se12Cl9 with unprecedented [GaQ3Cl] (Q = S/Se) tetrahedral units are rationally designed and fabricated in experiments by the flux method, enriching the chemical and structural diversity of chalcogenides. Cs3Ga8S13Cl shows a wide bandgap of ≈3.76 eV, resulting in a high laser‐induced damage threshold of ≈8 × AgGaS2 (AGS) and a moderate NLO response (≈0.6 × AGS) with phase‐matching behavior. The results imply that Cs3Ga8S13Cl is a promising IR NLO material for the high powder laser application and demonstrate the feasibility of the halogenated tetrahedron strategy in regulating the optical properties of chalcogenides.
An Initial Value Problem for State of Charge Estimation of Lithium‐Ion Batteries with an Adaptive Fractional‐Order Unscented Particle Filter
Authors: Jiao Zhiyuan , Gao Zhe , Chai Haoyu , Xiao Shasha , Jia Kai 
Published: September 2023

AbstractThis paper proposes an adaptive fractional‐order unscented particle filter (AFOUPF) with the initial value compensation (IVC) to enhance the estimation accuracy of the state of charge (SOC) for lithium‐ion batteries (LIBs). First, to correctly reflect the dynamic properties of LIBs, a fractional‐order system (FOS) with a constant phase component is constructed. Second, to discretize the FOS equation of LIBs, the Grünwald–Letnikov difference, Caputo derivative and Rieman–Liouville difference are employed to establish the corresponding difference equation. Third, a map function is applied to keep the order and SOC of the FOS within an appropriate interval. Further, an approach of IVC is provided for the AFOUPF to increase the accuracy of SOC estimation, taking into account that the accuracy of SOC estimation is impacted if the order of the FOS is relatively small in (0, 1). By utilizing the augmented vector approach, the simultaneous estimations of order, parameters, initial value, and SOC are resolved. Besides, an iterative approach that accommodates the noise covariance matrices is proposed to improve the estimation accuracy. The AFOUPF conducts an unscented transform and resampling on each particle, resulting in a high SOC estimation accuracy in complicated situations. Finally, the availability of AFOUPF is tested by several experiments.
Piezo‐Semiconductor Coupled Model for the Simulation of Zinc Oxide 1–3 Piezo‐Composite
Authors: Dumons Emmanuel , Tran‐Huu‐Hue Louis Pascal , Poulin‐Vittrant Guylaine 
Published: September 2023

AbstractSemiconducting effects in zinc oxide nanowires‐based nanogenerators greatly impact their performances. A coupled model integrating piezoelectric and semiconducting properties is developed with a finite element method to better understand the phenomena involved in this kind of device made with a process including chemical bath deposition of the nanostructures and their polymer encapsulation. Free carriers and surface traps are taken into account to give some keys to explain differences between previous theoretical and experimental works. This model is first validated on a single nanowire with a 1016 cm−3 n‐doping level by comparison with analytical calculations. For this comparison, surface traps are not taken into account as no analytical solution is available considering them. Second, n‐doping levels (between 1012 and 1018 cm−3) and surface traps densities (between 108 and 1012 cm−2) lead to variations of the generated piezopotential of two orders of magnitude. The control of these two semiconducting properties is a real challenge for this kind of application. Furthermore, simulation results show that the benefic effect of 1–3 piezo‐composite is still present even for a high n‐doping level of 1018 cm−3.
Musculoskeletal phenotypes in 3q29 deletion syndrome
Authors: Pollak Rebecca M. , Tilmon Jacob C. , Murphy Melissa M. , Gambello Michael J. , Sanchez Russo Rossana , Dormans John P. , Mulle Jennifer G. 
Published: September 2023

Abstract3q29 deletion syndrome (3q29del) is a rare genomic disorder caused by a 1.6 Mb deletion (hg19, chr3:195725000–197350000). 3q29del is associated with neurodevelopmental and psychiatric phenotypes, including an astonishing >40‐fold increased risk for schizophrenia, but medical phenotypes are less well‐described. We used the online 3q29 registry of 206 individuals (3q29deletion.org) to recruit 57 individuals with 3q29del (56.14% male) and requested information about musculoskeletal phenotypes with a custom questionnaire. 85.96% of participants with 3q29del reported at least one musculoskeletal phenotype. Congenital anomalies were most common (70.18%), with pes planus (40.35%), pectus excavatum (22.81%), and pectus carinatum (5.26%) significantly elevated relative to the pediatric general population. 49.12% of participants reported fatigue after 30 min or less of activity. Bone fractures (8.77%) were significantly elevated relative to the pediatric general population. Participants commonly report receiving medical care for musculoskeletal complaints (71.93%), indicating that these phenotypes impact quality of life for individuals with 3q29del. This is the most comprehensive description of musculoskeletal phenotypes in 3q29del to date, suggests ideas for clinical evaluation, and expands our understanding of the phenotypic spectrum of this syndrome.
The potential clinical value of plasma biomarkers in Alzheimer's disease
Authors: Blennow Kaj , Galasko Douglas , Perneczky Robert , Quevenco Frances‐Catherine , van der Flier Wiesje M. , Akinwonmi Akin , Carboni Margherita , Jethwa Alexander , Suridjan Ivonne , Zetterberg Henrik 
Published: September 2023

AbstractINTRODUCTIONMany people with cognitive complaints or impairment never receive an accurate diagnosis of the underlying condition, potentially impacting their access to appropriate treatment. To address this unmet need, plasma biomarker tests are being developed for use in Alzheimer's disease (AD). Plasma biomarker tests span various stages of development, including in vitro diagnostic devices (or tests) (IVDs), laboratory‐developed tests (LDTs) and research use only devices (or tests) (RUOs). Understanding the differences between each test type is important for appropriate implementation into the AD diagnostic pathway and care continuum.METHODSAuthors reviewed scientific literature (PubMed, meeting abstracts and presentations, company press releases and websites) on AD plasma biomarkers.RESULTSThis article defines IVDs, LDTs, and RUOs, discusses potential clinical applications and highlights the steps necessary for their clinical implementation.DISCUSSIONPlasma biomarkers could revolutionize many areas of the AD diagnostic pathway and care continuum, but further research is needed.HIGHLIGHTS
There is a need for a minimally invasive Alzheimer's disease (AD) diagnostic tool.
AD plasma biomarker tests exist at various stages of commercial development.
Understanding the development stage of a test is important for its appropriate use.
Plasma biomarker tests could function as a triage tool to streamline AD diagnosis.
Further steps remain before AD plasma biomarkers can be used routinely.
Lithium Bis(oxalate)borate Additive for Self‐repairing Zincophilic Solid Electrolyte Interphases towards Ultrahigh‐rate and Ultra‐stable Zinc Anodes
Authors: Zhang Zhaoyu , Zhang Yufei , Ye Minghui , Wen Zhipeng , Tang Yongchao , Liu Xiaoqing , Li Cheng Chao 
Published: September 2023

AbstractThe artificial solid electrolyte interphase (SEI) plays a pivotal role in Zn anode stabilization but its long‐term effectiveness at high rates is still challenged. Herein, to achieve superior long‐life and high‐rate Zn anode, an exquisite electrolyte additive, lithium bis(oxalate)borate (LiBOB), is proposed to in situ derive a highly Zn2+‐conductive SEI and to dynamically patrol its cycling‐initiated defects. Profiting from the as‐constructed real‐time, automatic SEI repairing mechanism, the Zn anode can be cycled with distinct reversibility over 1800 h at an ultrahigh current density of 50 mA cm−2, presenting a record‐high cumulative capacity up to 45 Ah cm−2. The superiority of the formulated electrolyte is further demonstrated in the Zn||MnO2 and Zn||NaV3O8 full batteries, even when tested under harsh conditions (limited Zn supply (N/P≈3), 2500 cycles). This work brings inspiration for developing fast‐charging Zn batteries toward grid‐scale storage of renewable energy sources.
A Spatially Programmable DNA Nanorobot Arm to Modulate Anisotropic Gold Nanoparticle Assembly by Enzymatic Excision
Authors: Yang Jing , Liang Yuan , Li Xiang , Zhang Yongpeng , Qian Long , Ke Yonggang , Zhang Cheng 
Published: September 2023

AbstractProgrammable assembly of gold nanoparticle superstructures with precise spatial arrangement has drawn much attention for their unique characteristics in plasmonics and biomedicine. Bio‐inspired methods have already provided programmable, molecular approaches to direct AuNP assemblies using biopolymers. The existing methods, however, predominantly use DNA as scaffolds to directly guide the AuNP interactions to produce intended superstructures. New paradigms for regulating AuNP assembly will greatly enrich the toolbox for DNA‐directed AuNP manipulation and fabrication. Here, we developed a strategy of using a spatially programmable enzymatic nanorobot arm to modulate anisotropic DNA surface modifications and assembly of AuNPs. Through spatial controls of the proximity of the reactants, the locations of the modifications were precisely regulated. We demonstrated the control of the modifications on a single 15 nm AuNP, as well as on a rectangular DNA origami platform, to direct unique anisotropic AuNP assemblies. This method adds an alternative enzymatic manipulation to DNA‐directed AuNP superstructure assembly.
Supramolecular Subphthalocyanine Cage as Catalytic Container for the Functionalization of Fullerenes in Water
Authors: Salazar Ainhoa , Moreno‐Simoni Marta , Kumar Sunit , Labella Jorge , Torres Tomás , de la Torre Gema 
Published: September 2023

AbstractHerein we report the first example of a supramolecular cage that works as a catalytic molecular reactor to perform transformations over fullerenes in aqueous medium. Taking advantage of the ability of metallo–organic Pd(II)‐subphthalocyanine (SubPc) capsules to form stable host:guest complexes with C60, we have prepared a water‐soluble cage that provides a hydrophobic environment for conducting cycloadditions over encapsulated C60, namely, Diels–Alder reactions with anthracene. Indeed, the presence of catalytic amounts of SubPc cage dissolved in water promotes co‐encapsulation of insoluble C60 and anthracene substrates, allowing the reaction to occur inside the cavity under mild conditions. The lower stability of the host:guest complex with the resulting C60 cycloadduct facilitates its displacement by pristine C60, which grants catalytic turnover. Moreover, bis‐addition compounds are regioselectively formed inside the cage when using excess anthracene.
Effect of microencapsulation flame retardant on flame retardancy and mechanical properties of rigid polyurethane foams
Authors: Peng Haoping , Li Jiaxin , Gu Yufei , Wu Changjun , Liu Ya , Zhao Yonggang , Su Xuping , Li Zhiwei 
Published: September 2023

AbstractA microencapsulated flame retardant PMDOPO was synthesized by solution blending method using EGDMA as initiator and AIBN as cross‐linking agent. Rigid polyurethane foams were prepared in a one‐step process. PMDOPO was incorporated into the foams by blending with polycarbonate diols (PCDL) and foaming additives. The results of Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) showed that PMDOPO was well formed and uniformly dispersed in the foam. The pore size and density of the foams first increased and then decreased with the addition of PMDOPO. X‐ray photoelectron spectroscopy (XPS), vertical combustion test, and thermogravimetric analysis (TGA) showed that the PMDOPO content was directly proportional to the flame retardancy and the thermal stability. The major weight loss shifted to higher temperature intervals. The amount of residual char of RPUF/PMDOPO‐25 was enhanced 50 times to 10.63% compared to pure RPUF. In addition, SEM and Raman analyses of the combustion residual char revealed that a phosphorus‐containing char layer was formed during thermal degradation. The dense charcoal layer helps to insulate heat and suppress combustion. The universal testing machine showed that RPUF with 15 wt% content had the best compression resistance, with an enhancement of 1.8 MPa over pure RPUF.
Co‐axial electrospinning of liposomal propolis loaded gelatin‐zein fibers as a potential wound healing material
Authors: Karakas Canan Yagmur , Ustundag Cem Bulent , Sahin Ali , Karadag Ayse 
Published: September 2023

AbstractIn this study, propolis extract (PE) was first encapsulated in different liposomal formulations (65–370 nm) with high encapsulation efficiency (68%–93%). The liposomal PE was further embedded in a food‐grade gelatin‐zein core/shell fiber by using the co‐axial electrospinning method. Transmission electron and confocal laser scanning microscopy verified the structure of liposomes and their homogeneous dispersion in fibers. Scanning electron microscopy (SEM) images confirmed the smooth morphologies of core/shell liposomal fibers. The loading of PE in liposomal fibers improved both thermal (differential scanning calorimetry) and textural (elongation at break and tensile strength) properties, and the fibers loaded with more PE provided higher mucoadhesiveness. The PE‐loaded fiber showed higher antimicrobial activity against Staphylococcus aureus. The incorporation of liposomal PE in fiber enhanced the viability of human skin fibroblast (HFF‐1) cells. The adhesion of HFF‐1 cells on fiber was demonstrated by SEM, thus PE‐loaded liposomal fiber could provide an efficient platform for cell growth. The findings of this study proposed that propolis‐loaded liposomal hybrid fibers produced by the co‐axial method can be used as a potential wound healing material.
Evaluating AI‐powered text‐to‐image generators for anatomical illustration: A comparative study
Authors: Noel Geoffroy P. J. C. 
Published: September 2023

AbstractMedical illustration, which involves the creation of visual representations of anatomy, has long been an essential tool for medical professionals and educators. The integration of AI and medical illustration has the potential to revolutionize the field of anatomy education, providing highly accurate, customizable images. The authors evaluated three AI‐powered text‐to‐image generators in producing anatomical illustrations of the human skulls, heart, and brain. The generators were assessed for their accurate depiction of foramina, suture lines, coronary arteries, aortic and pulmonary trunk branching, gyri, sulci, and the relationship between the cerebellum and temporal lobes. None of the generators produced illustrations with comprehensive anatomical details. Foramina, such as the mental and supraorbital foramina, were frequently omitted, and suture lines were inaccurately represented. The illustrations of the heart failed to indicate proper coronary artery origins, and the branching of the aorta and pulmonary trunk was often incorrect. Brain illustrations lacked accurate gyri and sulci depiction, and the relationship between the cerebellum and temporal lobes remained unclear. Although AI generators tended toward esoteric imagery, they exhibited significant speed and cost advantages over human illustrators. However, improving their accuracy necessitates augmenting the training databases with anatomically correct images. The study emphasizes the ongoing role of human medical illustrators, especially in ensuring the provision of accurate and accessible illustrations.
Chemiresistive Gas Sensing using Graphene‐Metal Oxide Hybrids
Authors: Hossain Mohammad Kamal , Hendi Abdulmajeed , Asim Nilofar , Alghoul Mohammad Ahmed , Rafiqul Islam Mohammad , Hussain Syed Muhammad Shakil 
Published: September 2023

AbstractChemiresistive sensing lies in its ability to provide fast, accurate, and reliable detection of various gases in a cost‐effective and non‐invasive manner. In this context, graphene‐functionalized metal oxides play crucial role in hydrogen gas sensing. However, a cost‐effective, defect‐free, and large production schemes of graphene‐based sensors are required for industrial applications. This review focuses on graphene‐functionalized metal oxide nanostructures designed for gaseous molecules detection, mainly hydrogen gas sensing applications. For the convenience of the reader and to understand the role of graphene‐metal oxide hybrids (GMOH) in gas sensing activities, a brief overview of the properties and synthesis routes of graphene and GMOH have been reported in this paper. Metal oxides play an essential role in the GMOH construct for hydrogen gas sensing. Therefore, various metal oxides‐decorated GMOH constructs are detailed in this review as gas sensing platforms, particularly for hydrogen detection. Finally, specific directions for future research works and challenges ahead in designing highly selective and sensitive hydrogen gas sensors have been highlighted. As illustrated in this review, understanding of the metal oxides‐decorated GMOH constructs is expected to guide ones in developing emerging hybrid nanomaterials that are suitable for hydrogen gas sensing applications.
Ir‐Catalyzed B(3)‐Amination of o‐Carboranes with Amines via Acceptorless Dehydrogenative BH/NH Cross‐Coupling
Authors: Ki Au Yik , Ma Qiangqiang , Zhang Jie , Xie Zuowei 
Published: September 2023

AbstractAn efficient and convenient strategy for Ir‐catalyzed selective B(3)‐amination of o‐carboranes with amines via acceptorless BH/NH dehydrocoupling was developed, affording a series of B(3)‐aminated‐o‐carboranes in moderate to high isolated yields with H2 gas as a sole by‐product. Such an oxidant‐free system endues the protocol sustainability, atom‐economy and environmental friendliness. A reaction mechanism via an Ir(I)‐Ir(III)‐Ir(I) catalytic cycle involving oxidative addition, dehydrogenation and reductive elimination was proposed.