bluuebunny/crossref_metadata_2025_split huggingface dataset:
Size Enlargement of CsPbI3 Perovskite Nanocrystals by Trioctylphosphine in the Synthesis for Highly Efficient Deep‐Red Light‐Emitting Diodes
Authors: Cheng Huiyuan , Zheng Yifan , Lou Yu , Sun Mengjie , Zhang Guodong , Wang Haoran , Wu Tom , Bai Yang , Shao Yuchuan 
Published: September 2024

AbstractMetal halide perovskite nanocrystals (PNCs) hold great promise for light‐emitting diodes (LEDs) due to their high photoluminescence quantum yields (PLQY), tunable colors, and low‐cost solution processability. However, their electroluminescence efficiencies are currently limited by the small size of the PNCs and the weak binding between ligands and PNCs. The small size makes PNCs sensitive to environmental factors due to their large specific surface area, leading to a loss of PLQY during post‐treatment. Additionally, the weak binding between ligands and PNCs causes the ligands to detach during post‐treatment, further reducing PLQY. To address these challenges, an in situ ligand‐capped synthesis method is introduced for PNCs, replacing the aliphatic solvent octadecene (ODE) with trioctylphosphine (TOP). The presence of TOP increases the concentration of monomers, accelerating nucleation and crystal growth, enabling the production of cubic PNCs ranging from 8 nm to over 28 nm. Moreover, TOP acts as a ligand to resurface PNCs, enhancing their stability and maintaining high PLQY after post‐treatment. As a result, by utilizing these larger PNCs, a high maximum external quantum efficiency (EQE) of 21.23% in LEDs is achieved. This method provides a significant advancement in the development of high‐performance PNC‐based LEDs.
Dispersed plug flow photocatalytic reactor using TiO2‐coated foams, 2D modeling, and experimental operating mode
Authors: Ribeiro E. , Goetz V. , Dezani C. , Caliot C. , Plantard G. 
Published: September 2024

AbstractA dispersed plug flow heterogeneous photocatalytic reactor is investigated. A two‐dimensional (2D) model adapted to the media, a photocatalyst supported on a macroporous ceramic foam, was built. It is based on the couplings at the local scale between mass transfer, radiative transfer, and reaction kinetics. The simulations are compared to experimental results obtained in the case of the degradation of a target organic micro‐pollutant. The 2D concentration fields resulting from these couplings bring to light the very specific characteristic operation of the photoreactor. They allow the low performances of the dispersed plug flow mode when compared to the perfectly mixed, a result both unexpected and original, to be explained. Simulations also reveal the major influence of the foam thickness, the characteristic dimension of the radiative transfer, on the performance of the dispersed plug flow photoreactor.
Novel Clinical Manifestation and Favorable Treatment Outcome of Cochlear Implant in a Chinese Family With Likely Pathogenic Variant of the P2RX2 Gene
Authors: Li Qiang , Sun Shuping , Zuo Bin , Lian Chengyu , Tang Wenxue , Xu Hongen , Lu Wei 
Published: September 2024

ABSTRACTThe rapid development and clinical application of sequencing technologies enable the genetic diagnosis of inherited deafness. P2RX2, as the gene responsible for autosomal dominant non‐syndromic deafness‐41 (DFNA41), has been proven to be essential for life‐long normal hearing and for the protection of noise‐induced hearing loss (NIHL). Our present study reports a missense variant in the P2RX2 gene (c.178G > T (p.V60L)), for the second time worldwide, in a five‐generation kindred living in Henan, China. Despite carrying the same variant, the affected members in this family appear to present with earlier‐onset hearing loss and poorer hearing compared to the original DFNA41 families. In addition, this study supplements some content that was not covered in previous reports. We quantitatively evaluated the pain perception ability of some members using the Pain Vision PS‐2100 system, and further found an interesting clinical manifestation, that is, hyperalgesia, in heterozygotes for P2RX2 p.V60L. The cochlear implant (CI) was also provided for the proband of profound deafness, resulting in satisfactory clinical outcomes. Finally, we carried out a systematic review of recently published articles on the P2RX2 gene, which is beneficial for better understanding the role of the P2RX2 gene in the auditory system and the pathogenic mechanisms in sensorineural hearing loss (SNHL).
Controllable Multi‐Exciton Zero‐Dimensional Antimony‐Based Metal Halides for White‐light Emission and β‐Ray Detection
Authors: Wei Chang‐hong , Dong Shipeng , Xu Zhiheng , Li Muzi , Zhang Tao , Xu Zhibin , Lan Si , Wang Shuao , Mao Liang 
Published: September 2024

AbstractSelf‐trapped exciton (STE) emission, typified by antimony (Sb), with broadband characteristics, represents the next generation of materials for solid‐state lighting and radiation detection. However, little is known about the multiexciton behavior of the Sb emission center. Here, we proposed a general approach for designing antimony‐centered multi‐exciton emitting materials through self‐assembly. Benefitting from controllable multiexciton behavior, dual‐band white light emission spanning the entire visible spectrum was achieved. Relying on the reduction of an effective atomic number brought by self‐assembly, excellent scintillation response to β‐rays was attained. This study offers unprecedented insight into hybrid single/triple STE emission and unveils new avenues for single‐emitter white‐light emission, as well as radiographic testing using low‐risk β‐rays as sources.
Two‐Coordinate Gold(I) Complex with Rotational Freedom: A Platform Integrating Thermally Activated Delayed Fluorescence, Polymorphism, and Linearly Polarized Luminescence
Authors: Zhang Xi , Song Xiu‐Fang , Jiang Shan , Yao Yi‐Ge , Chang Xiaoyong , Gao Yunan , Li Kai , Chen Yong 
Published: September 2024

AbstractTwo‐coordinate coinage metal complexes have been exploited for various applications. Herein, a new donor‐metal‐acceptor (D–M–A) complex PZI‐Au‐TOT, using bulky pyrazine‐fused N‐heterocyclic carbene (PZI) and trioxytriphenylamine (TOT) ligands, was synthesized. PZI‐Au‐TOT displays decent thermally activated delayed fluorescence (TADF) with a quantum yield of 93 % in doped film. The crystals of PZI‐Au‐TOT show simultaneous TADF, polymorphism, and linearly polarized luminescence (LPL). The polymorph‐dependent emission properties with widely varied peaks from 560 to 655 nm are attributed to different packing modes in terms of isolated monomers, discrete π–π stacked dimers or dimer PLUS. Two well‐defined microcrystals of PZI‐Au‐TOT exhibit linearly polarized thermally activated delayed fluorescence with a degree of polarization up to 0.64. This work demonstrates that the molecular rotational flexibility of D–M–A type complexes endows an integration of multiple functions into one complex through manipulation of supramolecular aggregation. This type of complexes is expected to serve as a versatile platform for the fabrication of crystal materials for advanced photonic applications.
An n‐Doping Cross‐Linkable Quinoidal Compound as an Electron Transport Material for Fully Stretchable Inverted Organic Solar Cells
Authors: Wang Cheng , Xin Yufei , Gu Haoran , Ye Long , Liu Yongsheng , Zhou Yinhua , Deng Yunfeng , Geng Yanhou 
Published: September 2024

AbstractThe photocatalytic activity and inherent brittleness of ZnO, which is commonly used as an electron transport layer (ETL) in inverted organic solar cells (OSCs), have impeded advancements in device stability and the development of fully stretchable OSCs. In this study, an intrinsically stretchable ETL for inverted OSCs through a side‐chain cross‐linking strategy has been developed. Specifically, cross‐linking between bromine atoms on the side chains of a quinoidal compound and the amino groups in polyethylenimine resulted in a film, designated QBr‐PEI‐50, with high electrical conductivity (0.049 S/m) and excellent stretchability (crack‐onset strain>45 %). When used as the ETL in inverted OSCs, QBr‐PEI‐50 was markedly superior to ZnO in terms of device performance and stability, yielding a power conversion efficiency (PCE) of 18.27 % and a T80 lifetime exceeding 10000 h. Moreover, incorporation of QBr‐PEI‐50 in fully stretchable inverted OSCs yielded a PCE of 14.01 %, and 80 % of the initial PCE was maintained after 21 % strain, showcasing its potential for wearable electronics.
1,4‐Benzodioxane Substituted Aza‐BODIPY: Towards Photostable yet Efficient Triplet Photosensitizer
Authors: Łapok Łukasz , Obłoza Magdalena , Pędziński Tomasz , Stadnicka Katarzyna M. 
Published: September 2024

AbstractWe report herein the synthesis of aza‐BODIPY substituted with 1,4‐benzodioxane‐6‐yl substituents at 3,5 positions of the chromophore system. Both pyrrole rings of the aza‐BODIPY in question were substituted with bromine atoms in order to induce highly desirable photophysical properties, such as highly populated excited triplet state (T1) and long excited triplet‐state lifetime (τT) of 21 μs. The photosensitized oxygenation of a model compounds, viz. DPBF, points to a high singlet oxygen and/or other ROS formation quantum yield of 0.42. The photosensitizer studied exhibited an absorption band within the so‐called “therapeutic window”, with λabs 678 nm. As estimated by CV/DPV measurements the 1,4‐benzodioxane‐6‐yl substituted aza‐BODIPYs studied exhibited a multi‐electron oxidations at a relatively low potentials (Eox), pointing to the very good electron‐donating properties of these molecules. High photostability and thermal stability was observed for all compounds studied. The good singlet oxygen quantum yield measured combined with an exceptional photostability makes this aza‐BODIPY a promising candidate for applications such as photocatalysis and photodynamic therapy (PDT).
Reduced p63 expression is linked to unfavourable prognosis in muscle‐invasive urothelial carcinoma of the bladder
Authors: Furlano Kira , Plage Henning , Hofbauer Sebastian , Weinberger Sarah , Ralla Bernhard , Fendler Annika , Roßner Florian , Schallenberg Simon , Elezkurtaj Sefer , Kluth Martina , Lennartz Maximilian , Blessin Niclas C. , Marx Andreas H. , Samtleben Henrik , Fisch Margit , Rink Michael , Slojewski Marcin , Kaczmarek Krystian , Ecke Thorsten , Koch Stefan , Adamini Nico , Minner Sarah , Simon Ronald , Sauter Guido , Weischenfeldt Joachim , Klatte Tobias , Schlomm Thorsten , Horst David , Zecha Henrik 
Published: September 2024

AbstractObjectiveThere is a shortage of established prognostic biomarkers in bladder cancer. One candidate is tumour protein 63 (p63), a transcription factor of the p53 gene family that is expressed in the normal urothelium. Recently proposed RNA expression‐based molecular classifiers of bladder cancer identified high p63 expression as a component of a basal/squamous subtype linked to poor patient prognosis.MethodsIn this study, p63 protein expression was analysed by immunohistochemistry on more than 2500 urothelial bladder carcinomas in a tissue microarray format to determine its relationship with clinicopathological parameters of disease progression and patient outcome.ResultsNuclear p63 staining was seen in all cells of normal urothelium and at elevated levels in pTaG2 tumours. The rate of p63 positive cases and the staining intensity was lower in pTaG3 tumours (93.2%, p < 0.0001 for pTaG3 vs. pTaG2) and markedly lower in pT2‐4 carcinomas (83.5%, p = 0.0120 for pT2‐4 vs. pTaG3). Within 1018 pT2‐4 carcinomas treated by cystectomy, low p63 expression was linked to nodal metastasis (p = 0.0028) and overall survival (p = 0.0005). The association with survival was independent of pT and pN (p = 0.0081). p63 expression was associated with GATA3 expression (p < 0.0001), a luminal cell type marker associated with favourable disease. A joint analysis of p63 and GATA3 did not suggest that GATA3 could provide additional prognostic information.ConclusionThe independent prognostic role of reduced p63 expression in advanced urothelial carcinomas suggests that p63 could be a useful biomarker to distinguish pT2‐4 urothelial carcinomas.
Multifunctional electroless nickel boron composite coatings incorporated by magnesium diboride ceramic particles
Authors: Bülbül Ferhat , Kara Adem 
Published: September 2024

AbstractIn this study, the role of MgB2 in composite coatings is pivotal. Electroless Ni–B plating, a current‐free chemical reduction process, deposits nickel–boron coatings. Other than MgB2, reinforcements like SiC, B4C, and so forth are used with Ni–B coatings for improved properties. The research focuses on Ni–B/MgB2 coatings on AISI 4140 steel using electroless deposition and annealing at different temperatures. Initially, the coating appears dense and amorphous, transforming into worm‐like structures through crystallization with MgB2. Higher annealing temperatures lead to brush‐like, feathery, and oyster mushroom structures, forming crystalline nickel boron compounds and oxide phases due to synergy. Interestingly, the newly introduced phases disrupt friction patterns nonlinearly, which is linked to MgB2’s ceramic nature and reinforcement quantity. Conversely, incorporating MgB2 and annealing‐induced intermetallic phases notably enhances hardness (up to 6) and improves hydrophilicity and antibacterial traits in the coating.
Two‐Positron‐bonded Dihalides: Ps2XY (X, Y=F, Cl, Br)
Authors: Archila‐Peña David , Moncada Felix , Charry Jorge , do N. Varella Marcio T. , Flores‐Moreno Roberto , Torres F. Javier , Reyes Andrés 
Published: September 2024

AbstractThis study explores the energetic stability and physical properties of
complexes formed by two halide anions (X−, Y−=F−, X−, Br−), and two positrons (Ps: positron‐electron pair). We combine electronic coupled cluster (CCSD(T)) calculations with positronic multicomponent renormalized partial third‐order propagator (MC‐REN‐PP3) calculations to effectively recover correlation energies. Analysis of potential energy curves confirms the energetic stability of these positronic molecules, with optimized structures identified as global minima. Further investigation of electron and positron densities reveals stabilization owing to the formation of two‐positron bonds. The global stability of the
complexes contrasts with the metastable two‐positron‐bonded (PsH)2, which energetically favors the emission of Ps2. Comparative analysis of one‐ and two‐positron dihalides indicates that the addition of a positron to PsXY− generally results in shorter bond distances, higher force constants, and lower dissociation energies, with exceptions due to differences in positron affinities of PsXY− and Y−. We explore the analogy between two‐positron‐bonded dihalide systems
and two‐electron‐bonded dialkali molecules AB, (A, B=Na, K, Rb). The bonding properties in two‐positron dihalides and their electronic dialkali analogs are comparable, displaying identical periodic trends. However, compared to their isoelectronic AB counterparts, the positron bonds in
have shorter bond lengths, higher force constants, and higher bond energies.
A Visible‐Light‐Responsive Fluorescent Diarylethene Having a Betaine Structure
Authors: Nishimura Ryo , Kaisho Naoki , Morimoto Masakazu 
Published: September 2024

AbstractAs a new molecular scaffold of photoswitchable fluorophore, we developed a photochromic diarylethene containing a betaine structure based on pyridinium N‐enolate. A facile reaction of a pyridyl‐substituted dithienylperfluorocyclopentene derivative with octafluorocyclopentene constructed the betaine structure. The introduction of the betaine moiety provided the diarylethene molecule with bathochromically shifted optical absorption and fluorescing ability, thus enabling the molecule to function as a visible‐light‐responsive turn‐off mode photoswitchable fluorophore. The molecule in the open‐ring form emitted bright bluish green fluorescence. Upon irradiation with 405 nm light, the molecule underwent cyclization isomerization to form the closed‐ring isomer and the fluorescence intensity significantly decreased. The turn‐off mode fluorescence photoswitching was observed not only in solution but also in polymer films.
Study of Sterically Crowded Alkanes: Assessment of Non‐Empirical Density Functionals Including Double‐Hybrid (Cost‐Effective) Methods
Authors: Maiz‐Pastor P. , Brémond E. , Pérez‐Jiménez A. J. , Adamo C. , Sancho‐García J. C. 
Published: September 2024

AbstractWe theoretically study here the homolytic dissociation reactions of sterically crowded alkanes of increasing size, carrying three different (bulky) substituents such as tert‐butyl, adamantyl, and [1.1.1]propellanyl, employing a family of parameter‐free functionals ranging from semi‐local, to hybrid and double‐hybrid models. The study is complemented with the interaction between a pair of HC(CH3)3 molecules at repulsive and attractive regions, as an example of a system composed by a pair of weakly bound sterically crowded alkanes. We also assessed the effect of incorporating reliable dispersion corrections (i. e., D4 or NL) for all the functionals assessed, as well as the use of a tailored basis set (DH‐SVPD) for non‐covalent interactions, which provides the best trade‐off between accuracy and computational cost for a seemingly extended applications to branched or crowded systems. Overall, the PBE‐QIDH/DH‐SVPD and r2SCAN‐QIDH/DH‐SVPD methods represent an excellent compromise providing relatively low, and thus very competitive, errors at a fraction of the cost of other quantum‐chemical methods in use.
Implementing sustainability: What role do knowledge management and management accounting play? Agenda for environmentally friendly businesses
Authors: Broccardo Laura , Giordino Daniele , Yaqub Muhammad Zafar , Alshibani Safiya Mukhtar 
Published: September 2024

AbstractThe present article investigates the literary corpus on knowledge management (KM), management accounting and control (MAC) systems, and sustainability implementation. The adopted method is a systematic literature review (SLR) analysis on articles listed on Scopus and Web of Science (WoS). The authors followed a rigorous research protocol that led to a final sample composed of 61 academic articles. This body of work: (i) profiles the selected articles underscoring journals productivity, geographical scope, methodological approach, and the most cited manuscripts; (ii) identifies and classifies the six main thematic clusters detailed as: corporate social responsibility, sustainability reporting, sustainable supply chain management, human resource management, green innovation, and universities as knowledge rich organizations; (iii) allows for the proposition of a conceptual framework; and (iv) helps establish existing research gaps. The present body of work carries both theoretical and practical implications, as well as limitations associated with its methodological approach and scope.
Unlocking Lignin′s Potential: Engineered Bacterial Laccases to Produce Biologically Active Molecules
Authors: Brissos Vânia , Rénio Márcia , Lejmel Magdalena A. , Estevinho Ricardo , Robalo M. Paula , Ventura M. Rita , Martins Lígia O. 
Published: September 2024

AbstractLaccases are biocatalysts with immense potential in lignocellulose biorefineries to valorize emerging lignin monomers for sustainable chemicals. Despite reduced costs over the past two decades, enzymes remain a major expense in biorefining. Protein engineering can enhance enzyme properties and lower costs further. In this study, we used enzyme engineering tools to improve >400‐fold the catalytic efficiency (kcat/Km) of a hyperthermostable bacterial laccase for 2,6‐dimethoxyphenol, a lignin‐related phenolic compound. Furthermore, this evolved variant showed improved activity at neutral to alkaline pH for hydroxycinnamyl alcohols, hydrocinnamic acids, phenylpropanoid and vanillyl derivatives. We optimized conditions for the synthesis of syringaresinol, dehydrodiconiferyl alcohol, thomasidioic acid, biseugenol, dehydrodiisoeugenol, and diapocynin, detailing the pH, catalyst concentration, reaction time, temperature, and oxygenation of the reaction mixtures. Our biocatalytic system offers several advantages, including being free of organic solvents, achieving faster reaction times, using lower amounts of enzymes and delivering excellent yields (up to 100 %) than reported methods. Additionally, we provide insights that advance the state‐of‐the‐art in lignin combinatory chemistry. This progress marks a significant step forward in valorizing the lignin chemicals platform, enabling high yields of dimeric compounds with structural scaffolds that can be exploited in various biotechnological areas, such as medicinal chemistry and polymer synthesis.
Recent Advances in the Synthesis of 2‐Furoic Acid and 2,5‐Furandicarboxylic Acid from Furfural
Authors: Zhang Yahui , Cui Haowen , Xia Haian 
Published: September 2024

Abstract2,5‐furandicarboxylic acid (FDCA) is an important organic platform compound that has been widely used in the fields of medicine, pesticides, dyes, plastics and resins due to its unique structure and properties. In recent years, with the emphasis on sustainable development and green chemistry, the synthesis of FDCA from biomass has attracted extensive attention. The catalytic conversion of furfural (FF) to FDCA has the advantages of easy availability of the raw material, environmental friendliness, economic feasibility and so on, which is an important direction for FDCA synthesis in the future. This paper mainly reviews the prepare pathways of furoic acid (FA) and FDCA using FF as a starting material, including the selective conversion of FF and FA to target products under different types of catalysts. First, the research progress in the synthesis of FA from FF was summarized, and then the advances in the catalytic conversion of FA to FDCA was reviewed. In addition, the development of efficient and green catalysts and the optimization of existing synthesis protocols are emphasized as key factors to improve the yield and purity of FDCA while reducing production costs. Finally, the opportunities and challenges were discussed.
Effect of (r, q) Distribution on Ion Acoustic Waves in a Negative‐Ion Plasma With Application to Earth's Ionosphere
Authors: Li Zhong‐Zheng , Xie Li‐Qiang , Liang Sheng‐De , Gao Dong‐Ning 
Published: September 2024

ABSTRACTIon acoustic waves (IAWs) are theoretically researched in a negative ion plasma (NIP) with warm light ions, cold heavy ions, and distributed electrons. The reductive perturbation method (RPM) is used to simplify two‐fluid plasma equations and the relevant ZK equation and solitary solution of IAWs are derived. Small‐k expansion method is applied to obtained the instability growth rate of IAWs. The flatness and tail parameters modify the amplitude, width, soliton energy, and instability growth rate. It is noted that the increscent flatness and tail parameters result in the increasing amplitude, width, and soliton energy. Increasing flatness and tail parameters lead to the decreasing growth rate. These results will be helpful in understanding the plasma dynamics for NIP system containing distributed electrons in Earth's ionosphere.