bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal Metamaterials with Configurable Mechanical Properties
Authors: Wang Yihui , Sha Wei , Xiao Mi , Gao Liang 
Published: September 2024

AbstractThermal metamaterials are typically achieved by mixing different natural materials to realize effective thermal conductivities (ETCs) that conventional materials do not possess. However, the necessity for multifunctional design of metamaterials, encompassing both thermal and mechanical functionalities, is somewhat overlooked, resulting in the fixation of mechanical properties in thermal metamaterials designed within current research endeavors. Thus far, conventional methods have faced challenges in designing thermal metamaterials with configurable mechanical properties because of intricate inherent relationships among the structural configuration, thermal and mechanical properties in metamaterials. Here, a data‐driven approach is proposed to design a thermal metamaterial capable of seamlessly achieving thermal functionalities and harnessing the advantages of microstructural diversity to configure its mechanical properties. The designed metamaterial possesses thermal cloaking functionality while exhibiting exceptional mechanical properties, such as load‐bearing capacity, shearing strength, and tensile resistance, thereby affording mechanical protection for the thermal metadevice. The proposed approach can generate numerous distinct inverse design candidate topological functional cells (TFCs), designing thermal metamaterials with dramatic improvements in mechanical properties compared to traditional ones, which sets up a novel paradigm for discovering thermal metamaterials with extraordinary mechanical structures. Furthermore, this approach also paves the way for investigating thermal metamaterials with additional physical properties.
Light‐Up Fluorescence and Circularly Polarized Luminescence in Achiral Interlocked Framework via Adaptive Lone Pair‐π Interaction Confinement
Authors: Wang Yuan , Zhu Xuefeng , Han Jianlei , Liang Tongling , Wu Ningning , Xiang Junfeng , Ouyang Guanghui , Liu Minghua 
Published: September 2024

AbstractInteractions between lone pairs and aromatic π systems are significant across biology and self‐assembled materials. Herein, employing an achiral confinement metal–organic framework (MOF) encapsulates guest molecules, it is successfully realized that lone pair (lp)‐π interaction induces fluorescence “turn‐on” and circularly polarized luminescence for the first time. The MOFs synthesized based on naphthalenediimide show nearly non‐emissive, which can be light‐up by introducing acetone or ester guests containing lone pairs‐π interaction. Furthermore, the introduction of a series of lp‐rich chiral esters induces supramolecular chirality as well as circularly polarized luminescence in achiral MOFs, while also observing chiral adaptability. This work first demonstrates the luminescence and chiral induction via lone pair electrons‐π interactions, presenting a fresh paradigm for the advancement of chiroptical materials.
Spin Manipulation of Co sites in Co9S8/Nb2CTx Mott–Schottky Heterojunction for Boosting the Electrocatalytic Nitrogen Reduction Reaction
Authors: Zhang Shuai , Zhao Weihua , Liu Jiameng , Tao Zheng , Zhang Yinpeng , Zhao Shuangrun , Zhang Zhihong , Du Miao 
Published: September 2024

AbstractRegulating the adsorption of an intermediate on an electrocatalyst by manipulating the electron spin state of the transition metal is of great significance for promoting the activation of inert nitrogen molecules (N2) during the electrocatalytic nitrogen reduction reaction (eNRR). However, achieving this remains challenging. Herein, a novel 2D/2D Mott–Schottky heterojunction, Co9S8/Nb2CTx‐P, is developed as an eNRR catalyst. This is achieved through the in situ growth of cobalt sulfide (Co9S8) nanosheets over a Nb2CTx MXene using a solution plasma modification method. Transformation of the Co spin state from low (t2g6eg1) to high (t2g5eg2) is achieved by adjusting the interface electronic structure and sulfur vacancy of Co9S8/Nb2CTx‐P. The adsorption ability of N2 is optimized through high spin Co(II) with more unpaired electrons, significantly accelerating the *N2→*NNH kinetic process. The Co9S8/Nb2CTx‐P exhibits a high NH3 yield of 62.62 µg h−1 mgcat.−1 and a Faradaic efficiency (FE) of 30.33% at −0.40 V versus the reversible hydrogen electrode (RHE) in 0.1 m HCl. Additionally, it achieves an NH3 yield of 41.47 µg h−1 mgcat.−1 and FE of 23.19% at −0.60 V versus RHE in 0.1 m Na2SO4. This work demonstrates a promising strategy for constructing heterojunction electrocatalysts for efficient eNRR.
Anion‐Reduction‐Catalysis Induced LiF‐Rich SEI Construction for High‐Performance Lithium‐Metal Batteries
Authors: Jin Chunqiao , Xiang Andrew , Wang Zixuan , He Qianqian , Li Bixuan , Zhang Xiaokun , Xiang Yong , Zhai Pengbo , Gong Yongji 
Published: September 2024

AbstractThe practical application of lithium‐metal batteries (LMBs) remains impeded by uncontrollable Li dendrite growth and unstable solid‐state electrolyte interphase (SEI) on lithium‐metal anodes. Constructing the inorganic‐rich SEI is considered as an effective strategy to realize the dense Li deposition and inhibit interfacial side reactions, thereby improving the lifespans of LMBs. Herein, an anion‐reduction‐catalysis mechanism is proposed to design a LiF‐rich SEI utilizing 2D tellurium (Te) nanosheets as catalysts, which are homogenously implanted on the substrate. Lithiophilic Te nanosheets can induce uniform Li nucleation and deposition through in situ lithiation reactions, while the resulting product Li2Te can reduce the energy barrier for anion decomposition and promote the generation of LiF in the SEI. Consequently, Li dendrite growth and interfacial side reactions are effectively suppressed, enabling long‐cycle‐life LMBs. The Te‐modified electrode in half‐cells delivers superior cycle life exceeding 500 cycles and a high average Coulombic efficiency of 97.8% at 5 mAh cm−2. The high‐energy‐density (405 Wh kg−1) pouch cells pairing the Te‐modified Li anodes with high‐mass‐loading LiNi0.9Co0.05Mn0.05O2 (NCM90) cathodes exhibit stable cycling performance with a high average Coulombic efficiency of 99.3% in carbonate electrolytes. This work provides a promising anion catalyst design for LiF‐rich SEI and paves the way for developing high‐energy‐density LMBs.
The Crucial Role of Organic Ligands on 2D/3D Perovskite Solar Cells: A Comprehensive Review
Authors: Zhang Yi , Xi Jianing , Deng Yanyu , Liu Wenwen , Li Zhuowei , Liu Chunyu , Guo Wenbin 
Published: September 2024

AbstractThe exceptional performance and potential of 2D/3D perovskites for enhancing the efficiency and stability of perovskite solar cells (PSCs) are extensively studied. However, selecting appropriate organic ligands is critical to this process. The incorporation of suitable ligands into the 2D layer can passivate surface defects, regulate energy level alignment, and significantly improve device stability. Conversely, using unsuitable ligands not only fails to achieve the desired functions, but also negatively impacts device efficiency by hindering charge carrier transport and causing energy level mismatch issues. Therefore, exploring the selection of organic ligands based on different requirements is essential. In this review, recent studies are classified based on the chemical structure of organic ligands, analyze their application requirements, and provide suggestions for choosing optimal organic ligands to construct 2D/3D perovskites. Additionally, the feasibility and necessity of utilizing more efficient organic ligands while providing guidance for future research on 2D/3D PSCs are emphasized.
Analyzing individual rent price ratios in eastern German agricultural land markets: A GAMLSS approach
Authors: Michels Marius , von Hobe Cord‐Friedrich , Merk Miryam Sarah , Kneib Thomas , Musshoff Oliver 
Published: September 2024

AbstractThis study explores the rent price ratio in agricultural land markets, crucial for evaluating market efficiency, policy needs, and farmer decision‐making. Traditionally, the analyses faced challenges due to the absence of concurrent sale and rent data for the same land, potentially leading to biased results. This research avoids this problem by utilizing a unique dataset from Eastern Germany, encompassing auction data from 2016 to 2019. This dataset is distinctive, containing both the purchase and lease price offers by individual farmers for the same agricultural land at a single point. Thus, this study overcomes the conventional limitations of using aggregated or non‐contemporaneous data. Hence, the focal point is to unravel the intricate relationship between individual rent price ratios and a myriad of influencing factors, including land characteristics and local farming structures. The use of Generalized Additive Models for Location, Shape, and Scale provides a robust framework for this analysis, offering a nuanced understanding of the distributional properties of individual rent price ratios. The study provides robust empirical evidence that highlights the need for adaptive and region‐specific policies if policy makers insist on intervening in the agricultural land market. Furthermore, promising points of departure for future research are identified. [EconLit Citation: Q15].
Managing workplace AI risks and the future of work
Authors: Howard John , Schulte Paul 
Published: September 2024

AbstractArtificial intelligence (AI)—the field of computer science that designs machines to perform tasks that typically require human intelligence—has seen rapid advances in the development of foundation systems such as large language models. In the workplace, the adoption of AI technologies can result in a broad range of hazards and risks to workers, as illustrated by the recent growth in industrial robotics and algorithmic management. Sources of risk from deployment of AI technologies across society and in the workplace have led to numerous government and private sector guidelines that propose principles governing the design and use of trustworthy and ethical AI. As AI capabilities become integrated in devices, machines, and systems across industry sectors, employers, workers, and occupational safety and health practitioners will be challenged to manage AI risks to worker health, safety, and well‐being. Five risk management options are presented as ways to assure that only trustworthy and ethical AI enables workplace devices, machinery, and processes. AI technologies will play a significant role in the future of work. The occupational safety and health practice and research communities need to ensure that the promise of these new AI technologies results in benefit, not harm, to workers.
Palladium Catalyzed Direct Ortho C‐H Acylation of 4‐Phenylquinazoline Using Methylarenes as Acylation Reagents
Authors: Deng Tongtong , Hu Shan , Ying Xianyu , Wang Hui , Zhu Hongjun 
Published: September 2024

AbstractA simple ortho‐acylation of 4‐phenylquinazoline by a Pd‐catalyzed oxidative C−H activation was developed, with moderate yields, in which no prefunctionalized methylarenes were used as acylation reagents. Moreover, this methodology tolerates a wide range of functional groups. Radical scavenging experiments indicate that the acylation involves a benzoyl radical pathway.
Fluorine Doping Mediated Epitaxial Growth of NaREF4 on TiO2 for Boosting NIR Light Utilization in Bioimaging and Photodynamic Therapy
Authors: Kou Yufang , Liu Minchao , Zhou Qiaoyu , Lin Runfeng , Yu Hongyue , Hou Mengmeng , Ming Jiang , Tang Yi , Elzatahry Ahmed A. , Zhang Fan , Zhao Dongyuan , Li Xiaomin 
Published: September 2024

AbstractBy integrating TiO2 with rare earth upconversion nanocrystals (NaREF4), efficient energy transfer can be achieved between the two subunits under near‐infrared (NIR) excitation, which hold tremendous potential in the fields of photocatalysis, photodynamic therapy (PDT), etc. However, in the previous studies, the combination of TiO2 with NaREF4 is a non‐epitaxial random blending mode, resulting in a diminished energy transfer efficiency between the NaREF4 and TiO2. Herein, we present a fluorine doping‐mediated epitaxial growth strategy for the synthesis of TiO2‐NaREF4 heteronanocrystals (HNCs). Due to the epitaxial growth connection, NaREF4 can transfer energy through phonon‐assisted pathway to TiO2, which is more efficient than the traditional indirect secondary photon excitation. Additionally, F doping brings oxygen vacancies in the TiO2 subunit, which further introduces new impurity energy levels in the intrinsic band gap of TiO2 subunit, and facilitates the energy transfer through phonon‐assisted method from NaREF4 to TiO2. As a proof of concept, TiO2‐NaGdF4 : Yb,Tm@NaYF4@NaGdF4 : Nd@NaYF4 HNCs were rationally constructed. Taking advantage of the dual‐model up‐ and downconversion luminescence of the delicately designed multi‐shell structured NaREF4 subunit, highly efficient photo‐response capability of the F‐doped TiO2 subunit and the efficient phonon‐assisted energy transfer between them, the prepared HNCs provide a distinctive nanoplatform for bioimaging‐guided NIR‐triggered PDT.
Puls EPR Methoden im Angstöm‐ bis Nanometerbereich geben Aufschluss über die konformationelle Flexibilität eines Fluorid‐Riboschalters
Authors: Remmel Laura , Meyer Andreas , Ackermann Katrin , Hagelueken Gregor , Bennati Marina , Bode Bela E. 
Published: September 2024

AbstractRiboschalter steuern die Genregulation in Reaktion auf externe Reize wie Umweltfaktoren oder Ligandenbindung. Der fluoriderkennende Riboschalter aus Thermotoga petrophila ist eine komplexe regulatorische RNA, von der angenommen wird, an der Resistenz gegen die zytotoxische Wirkung von Fluorid beteiligt zu sein. Details der Struktur und Dynamik, die dem regulatorischen Mechanismus zugrunde liegen, werden derzeit diskutiert. Hier zeigen wir, dass mit einer Kombination aus Puls Elektronen‐Paramagnetischer‐Resonanz (ESR/EPR) Spektroskopien, die Abstände im Angström‐ bis Nanometerbereich detektiert, spezifische Bereiche konformationeller Flexibilität in diesem Riboschalter untersucht werden können. PELDOR (pulsed electron‐electron double resonance) zeigte eine ähnliche Präorganisation der Sensordomäne in drei Formen: der freien Aptamerform, der Mg2+‐gebundenen apo‐Form und der F−‐gebundenen holo‐Form. 19F ENDOR (electron‐nuclear double resonance) wurde verwendet, um die Struktur des aktiven Zentrums der F−‐gebundenen holo‐Form zu untersuchen. Abstandsverteilungen ohne vorherige strukturelle Informationen wurden mit auf der Kristallstruktur basierenden in silico Modellierungen der Spinmarkerkonformationen verglichen. Während PELDOR, welches die Peripherie der RNA Faltung untersucht, die konformationelle Flexibilität des RNA Rückgrats aufdeckte, zeigte ENDOR eine geringe strukturelle Heterogenität der Ligandenbindungstasche. Die Kombination aus PELDOR und ENDOR lieferte sub‐Angström‐präzise Einblicke in die strukturelle Organisation und Flexibilität eines Riboschalters, die mit anderen biophysikalischen Techniken nur schwer zu erreichen sind.
Asymmetric Catalytic Synthesis of Allylic Sulfenamides from Vinyl α‐Diazo Compounds by a Rearrangement Route
Authors: Xiao Zhijie , Pu Maoping , Li Yuzhen , Yang Wei , Wang Fei , Feng Xiaoming , Liu Xiaohua 
Published: September 2024

AbstractThe asymmetric rearrangement of allylic sulfilimines is an effective route to synthetically attractive targets, such as allylic sulfenamides. The current methods are limited to chirality transfer from chiral allylic sulfilimine precursors. Herein, we report a general and fundamentally new rearrangement route to access optically enriched allylic sulfenamides and their derivatives. The process involves S‐alkylation and an unusual S‐to‐N rearrangement step. A chiral nickel complex enables the transformation of a broad scope of sulfenamides and vinyl α‐diazo pyrazoleamides under mild conditions. Various allylic sulfenamides have been synthesized with excellent γ‐regioselectivity and enantioselectivity, and can be efficiently converted into sulfinamide and 4‐aminobutenoic acid derivatives. In addition, DFT calculations demonstrate the connection between the spin state and conformation of the nickel vinyl carbenoid, as well as an unknown rearrangement process.
Towards Stable Helical Structures with Enhanced Molecular Conductance by Strengthening Through‐Space Conjugation
Authors: Jiao Shaoshao , Shen Pingchuan , Li Jinshi , Dong Xiaobin , Tang Ben Zhong , Zhao Zujin 
Published: September 2024

AbstractDeveloping long‐chain molecules with stable helical structures is of significant importance for understanding and modulating the properties and functions of helical biological macromolecules, but challenging. In this work, an effective and facile approach to stabilize folded helical structures by strengthening through‐space conjugation is proposed, using new ortho‐hexaphenylene (o‐HP) derivatives as models. The structure–activity relationship between the through‐space conjugation and charge‐transport behavior of the prepared folded helical o‐HP derivatives is experimentally and theoretically investigated. It is demonstrated that the through‐space conjugation within o‐HP derivatives can be strengthened by introducing electron‐withdrawing pyridine and pyrazine rings, which can effectively stabilize the helical structures of o‐HP derivatives. Moreover, scanning tunneling microscopy‐break junction measurements reveal that the stable regular helical structures of o‐HP derivatives open‐up dominant through‐space charge‐transport pathways, and the single‐molecule conductance is enhanced by more than 70 % by strengthening through‐space conjugation with pyridine and pyrazine. However, the through‐bond charge transport pathways contribute much less to the conductance of o‐HP derivatives. These results not only provide a new method for exploring stable helical molecules, but also provide a stepping stone for deciphering and modulating the charge‐transport behavior of helical systems at the single‐molecule level.
Upcycling of recycled polyethylene for rotomolding applications via dicumyl peroxide crosslinking
Authors: Ahmad Hibal , Rodrigue Denis 
Published: September 2024

AbstractPolyethylene (PE), including high‐density polyethylene (HDPE) and low‐density polyethylene (LDPE), makes up a significant part of post‐consumer plastics in municipal solid waste, presenting challenges for traditional recycling methods due to a wide range of melt flow properties and poor interfacial adhesion between the different resin, which often leads to low quality products (downcycling). In this study, a method is proposed to modify the molecular structure of post‐consumer PE (rHDPE and rLDPE) and their blends by using a straightforward organic peroxide crosslinking technique with 1 phr of dicumyl peroxide (DCP). Different rHDPE/rLDPE blend weight ratios (0/100, 20/80, 40/60, 50/50, 60/40, 80/20, and 100/0) were prepared using a combination of co‐rotating twin‐screw extrusion and pulverization. The final parts were produced via rotomolding where both the forming and crosslinking processes occurred concurrently. Subsequently, the materials were characterized in terms of chemical, thermal, and mechanical properties. It was found that the tensile strength (228%), tensile modulus (345%), flexural strength (145%), and flexural modulus (251%) increased by crosslinking the 80% wt. rHDPE (x‐rHDPE). Conversely, the gel content increased by 17%, thermal resistance by 37.2%, and the impact strength by 93% with 80% wt. rLDPE (x‐rLDPE). It can be concluded that a balance between the properties occurs as the addition of DCP improved both the interfacial adhesion and melt properties of rHDPE/rLDPE blends. This innovative approach represents a simple and straightforward method to upcycle mixed plastics (PE) streams, especially for rotomolding applications. It also offers promising avenues for sustainable waste management and material reuse.
Organic Ferroelectrics for Regulation of Electronic and Ionic Transport Toward Neuromorphic Applications
Authors: Lee Minsub , Jeong Beomjin 
Published: September 2024

AbstractOrganic ferroelectrics (OFEs) have been of significant research interest not only for nonvolatile memory applications but also for their unique material characteristics such as mechanical softness, biocompatibility, facile processibility, and chemically tailorable functionalities that inorganic counterparts are hard to achieve. Despite these promising merits, the utilization of OFEs has mainly focused on simply demonstrating flexible nonvolatile memories wherein modulation of electronic conductance is of interest. Recent studies indicate that the applicability of OFEs can be further extensive, particularly when combined with electronic, ionic, and mixed electronic‐ionic conducting media. Herein, we discuss that OFEs can be employed for the regulation of electronic as well as ionic charges, and lead to unique device behaviors. First, we comprehensively introduce organic ferroelectric materials classified with their structures and compositions. Next, we discuss recent studies where organic ferroelectricity has been incorporated with electronic, ionic, or mixed transport system to resolve issues in devices and endow multifunctionality, which are promising for neuromorphic computing and sensory memory systems. Finally, insight into the research direction of OFEs is provided, and what hurdles shall be overcome for real‐world applications.
Ureter‐ileum‐interposition: Combined experience from two high‐volume centres
Authors: Pikul Maksym , Pfister David , Rieger Constantin , Bach Christian , Voylenko Oleg , Stakhovskyi Oleksandr , Semko Sofiya , Vitruk Iurii , Kononenko Oleksii , Stakhovsky Eduard , Heidenreich Axel 
Published: September 2024

AbstractThe current study aimed to evaluate short‐ and long‐term complication rates and functional outcomes in a substantial cohort of patients undergoing ileal ureter interposition at two high‐volume medical centres.Materials and methodsA retrospective single‐arm analysis was conducted on patients who underwent ureter reconstruction using ileum between 2003 and 2022 at the University Clinic of Cologne and the National Cancer Institute of Ukraine. Data on aetiology, surgical techniques, pre‐ and postoperative kidney function changes, readmission rates and complication management were collected. Postoperative complications were classified according to Clavien–Dindo, and estimated glomerular filtration rate (eGFR) was calculated using the CKD‐EPI formula.ResultsResults revealed 107 cases with consistent data. Within 90 days post‐surgery, 53% experienced complications, mainly graded as I–II. Grade III complications were seen in 13%, with two cases of grade IV complications leading to extended hospitalisation and patient death. The 90‐day mortality rate was 1.8%. Over a mean follow‐up of 52 months, clinically significant vesico‐renal refluxes occurred in 28%, with only 5.4% leading to persistent urinary tract infection. Antireflux techniques appeared to reduce urine upflow incidence compared with conventional interposition. Anastomosis stricture occurred in 15% of patients, with 63% requiring permanent re‐stenting and 37% needing re‐anastomosis. Metabolic acidosis was clinically significant in 7.5% of cases. A slight improvement in renal function was observed during the first year post‐surgery (average postoperative eGFR = 76 ± 22 ml/min; Mann–Witney U test, p = 0,0198). Affected kidney function improved in 56 (52%), was stable in 41 (38%) and deteriorated in 10 (9.3%). Loss of kidney function on the surgery side was seen in 4 (3.7%) patients and resulted in nephrectomy in 3 (2.8%) cases.ConclusionIleal ureter interposition demonstrated a favourable safety profile and functional outcomes. This surgical intervention provides an effective tension‐free bypass, irrespective of healthy ureter length.