bluuebunny/crossref_metadata_2025_split huggingface dataset:
Insights into the Stability and Surface Termination of Topological Semimetal NbAs2
Authors: D'Olimpio Gianluca , Zhang Yanxue , Rosmus Marcin , Nappini Silvia , Chakraborty Atasi , Olszowska Natalia , Ottaviano Luca , Sankar Raman , Agarwal Amit , Bondino Federica , Gao Junfeng , Politano Antonio 
Published: January 2024

AbstractNbAs2, a topological semimetal, has stirred considerable interest for its potential usage in magnetic and fault‐tolerant quantum computation superconductor devices, owing to its superconductivity, enormous magnetoresistance, and anisotropic magneto‐transport attributes. Yet, its environmental stability, a crucial factor for practical applications, remains largely unexplored. Herein, a comprehensive examination of the stability and electronic properties of the (001) surface of NbAs2 utilizing density functional theory (DFT) and surface science experiments is conducted. The theoretical deductions reveal that As atoms, organized in a buckled honeycomb configuration, terminate the bare (001) surface, akin to the tensile blue arsenene monolayer along the armchair direction. This study further demonstrates that the oxidation barrier is particularly low (only 0.2 eV), highlighting that the (001) surface is highly prone to oxidation under standard conditions, forming a As2O5+Nb2O5/NbAs2 heterostructure. Additionally, it observes that oxidation adversely affects the electronic characteristics of the topological semimetal NbAs2. The conclusions underscore the need for NbAs2 to be managed under high vacuum conditions or to be encapsulated for any usage in the ambient atmosphere in order to retain its electronic properties for practical purposes.
Multi‐Track Triboelectric Nanogenerator Toward Omnidirectional Ocean Wave Energy Harvesting
Authors: Ying Qingyun , Wu Junye , Liu Chong 
Published: January 2024

AbstractTriboelectric nanogenerators (TENGs) present a great potential approach for low‐frequency blue energy harvesting due to their unique advantages, however, omnidirectional wave energy harvesting remains challenging in complex marine environments. Herein, an omnidirectional multi‐track spherical structure TENG (OMS‐TENG) based on eight‐track fan type TENG (FTENG) is developed for harvesting low‐frequency ocean energy. The diameter and number of PTFE balls are optimized theoretically for boosting individual FTENG output and verified experimentally. The connection mode between different tracks and layers of OMS‐TENG is further investigated for efficient omnidirectional ocean energy harvesting. The motion parameters including translation and oscillation on electrical output performances of OMS‐TENG are systematically investigated and optimized. OMS‐TENG has proved to be an efficient device for harvesting omnidirectional wave energy with excellent stability and durability in complex marine environments. The maximum instantaneous power of 1270 µW can be obtained by individual OMS‐TENG. This work provides an effective approach toward omnidirectional ocean energy harvesting and important guidance for designing sustainable energy harvester.
Weak‐Chelation Assisted Regioselective Indole C(4)‐Alkynylation via Six‐Membered Cobaltacycle Intermediate
Authors: Joshi Sofaya , Dutta Riya , Kumar Banjare Shyam , Saxena Annapurna , Ravikumar Ponneri C. 
Published: January 2024

AbstractHerein a regioselective indole C4‐alkynylation has been uncovered utilizing an earth‐abundant cobalt(III)‐catalyst. For this process, (bromoethynyl)benzene was used as an alkynylating agent. Also, after screening various amide‐protected chelating groups we found dimethyl‐amide is optimal for the in‐situ generation of cobaltacycle intermediate. The six‐membered cobaltacycle intermediate has been detected through high‐resolution mass spectrometry HRMS, which is a key intermediate for this conversion. Further, mechanistic studies were performed such as KIE experiments, and reactions with radical scavengers, and based on the results a plausible mechanism has been proposed. Moreover, to show the application of this methodology, the product has been oxidized to diketone, monoketone, alkene, alkane and further derivatized to a tricycle indole derivative, which is a core structure of many natural products.
Direct Intramolecular Coupling of Primary/Secondary Alcohols with Secondary Alcohols for Macrocyclic Alkenylation Using Ni‐Zeolite Catalyst Under Continuous‐Flow Conditions
Authors: Sutar Dashrat V. , Swami Gourishankar B. , Jamdade Akash B. , Gnanaprakasam Boopathy 
Published: January 2024

AbstractHerein, we report the direct intramolecular coupling of primary and secondary alcohols for the selective synthesis of macrocyclic olefins in the presence of Ni‐zeolite catalyst under continuous flow. This reaction proceeds via dehydration of secondary alcohols to alkenes, which subsequently undergo intramolecular dehydrative coupling reaction with a primary alcohol to obtain moderate yields of macrocyclic olefins. This reaction is also effective for the coupling of secondary‐secondary alcohols and alkene‐alcohols to produce diverse macrocyclic olefin products. This unique approach has various advantages including step‐economy, no additives and pre‐functionalization required, inexpensive and reusable catalyst, and exemplification with 23 macrocycles in different ring sizes. The continuous flow macrocyclisation afforded higher productivity and space‐time yield than the batch reaction conditions.
FeCl3/KI‐Catalyzed Tandem Oxidative Cyclization for Switchable Total Synthesis of Luotonin A, B and Derivatives
Authors: Song Ying‐Chun , Wang Ming‐Xuan , Yi Yun‐Ying , Liu Yu‐Ting , Zhang Wen‐Xin , Wang Zi‐Yue , Sun Yuan‐Yuan , Wu An‐Xin , Zhu Yan‐Ping 
Published: January 2024

AbstractA total synthesis strategy was developed for the synthesis of luotonin A, B and their analogues using synergistic FeCl3/KI‐catalyzed oxidative cyclization. This protocol utilizes cheap and widely available N‐propargyl 2‐methyl‐quinazolinones and arylamines under mild conditions, and it has a wide substrate scope and high atom economy. Different natural products (luotonin A, B and derivatives) can be synthesized via a unique switchable approach. Further transformations from luotonin B to luotonin E and structural modification of natural products demonstrate the potential applications of this method. Moreover, camptothecin can also be modified with the reported protocol to afford the hydroxyl‐substituted product.
Expanding the Synthetic Toolbox: Discovery of a Robust Aldehyde Dehydrogenase for Integrated Chemocatalysis and Enzyme Catalysis
Authors: Sha Jiang‐Tao , Yu Jian , Dai Jian‐Rong , Lu Guang‐Hui , Zong Min‐Hua , Li Ning 
Published: January 2024

AbstractChemobiocatalysis has recently emerged as a promising tool in organic synthesis; nonetheless, chemobiocatalytic transformations remain challenging due to the incompatibility between the two types of catalysts. Many enzymes, especially aldehyde dehydrogenases (ALDHs), are readily inactivated under the chemocatalytic conditions. Herein, we present a robust NADP+‐dependent p‐hydroxybenzaldehyde dehydrogenase from Pseudomonas aeruginosa (PaHBDH) for integrated chemocatalysis and enzyme catalysis. Apart from good activities toward a number of aromatic aldehydes, PaHBDH showed excellent thermal and storage stability in the absence of any stabilizer, but was also highly tolerant toward various organic solvents. The usefulness of PaHBDH in integrated catalysis was demonstrated by the synthesis of a group of aromatic carboxylic acids in good yields by combining with photo‐/electrochemical NADP+ regeneration. The photoenzymatic approach was further extended by integrating with a chemo(bio)catalytic cascade in one pot to allow for the conversion of furfural into value‐added C4 chemicals. The finding of this work may expand the synthetic toolbox for integrated catalysis.
3D Change Detection Method for Exterior Wall of LNG Storage Tank Supported by Multi‐Source Spatial Data
Authors: Gao Chutian , Guo Ming , Wang Guoli , Guo Kecai , Zhao Youshan 
Published: January 2024

AbstractChange detection methods for measuring deformation of the LNG storage tank's exterior wall cannot meet the requirements for extensive and comprehensive deformation analysis. The method proposed in this paper uses multi‐source spatial data to detect the deformation of the LNG storage tank's exterior wall. Exterior wall data collected simultaneously by terrestrial and airborne laser scanners, as well as close‐range and oblique photogrammetry, are pre‐processed separately and then registered to the global point clouds. The deformation state of exterior wall is represented by a thorough assessment approach that takes into account four change indices. The results suggest that the registration precision of global point clouds is 6 mm. The global ovality of the LNG storage tank is 0.053%, with a tilt change of 2.58° and a deviation of 27 mm in the direction of the azimuth of 321.98°, an average value of 0.07 mm for depression and protrusion deformation, and a surface flatness of 21.3 mm. In this case, the flatness is greater than the variation threshold of the standard specification, indicating that the tank may have structural uneven settlement or other deformation problems. The attraction of the proposed method resides in its capacity to efficiently and accurately obtain spatial positioning and color information of the LNG storage tank's exterior wall, thereby providing a robust foundation for precise judgments regarding the deformation state.
Real‐Time and Continuous Monitoring of Brain Deformation
Authors: Liu Ziwei , Tang Chengqiang , Li Jianzheng , Yang Yiqing , Li Wenjun , Wang Jiajia , Yu Sihui , Wang Chuang , Qin Yajie , Tong Qi , Sun Xuemei , Peng Huisheng 
Published: January 2024

AbstractResearchers have typically studied the brain by monitoring characteristic signals, such as electrophysiology and neurotransmitters by implanted electronics. Here, real‐time monitoring of dynamic deformations of the brain tissue in vivo, is demonstrated, as a new characteristic parameter that is reflective of brain states. As a proof of concept, a thin capacitive deformation sensor is fabricated and implanted between the skull and cortex, and the sensor is shown to effectively monitor dynamic deformations of the cortical surface in the rat brain as induced by respiration and heartbeat under different degrees of anesthesia. This brain monitoring approach based on deformation signals opens up a new direction for understanding the brain.
Defect‐Passivating and Stable Benzothiophene‐Based Self‐Assembled Monolayer for High‐Performance Inverted Perovskite Solar Cells
Authors: Liu Ming , Li Mingliang , Li Yanxun , An Yidan , Yao Zefan , Fan Baobing , Qi Feng , Liu Kaikai , Yip Hin‐Lap , Lin Francis R. , Jen Alex K.‐Y. 
Published: January 2024

AbstractEffective passivation of defects at the buried interface between the perovskite absorber and hole‐selective layer (HSL) is crucial for achieving high performance in inverted perovskite solar cells (PSCs). Additionally, the HSL needs to possess compact molecular packing and intrinsic photo‐ and thermo‐stability to ensure long‐term operation of the devices. In this study, a novel MeO‐BTBT‐based self‐assembled monolayer (SAM) is reported to serve as an efficient HSL in inverted PSCs. Compared to the well‐established carbazole‐containing SAM MeO‐2PACz, MeO‐BTBT has flat and more extended conjugation with large atomic radius of the sulfur atom. These induce stronger intermolecular interactions to enable more ordered and compact SAM to be formed on indium–tin oxide (ITO) substrates. Meanwhile, the sulfur atoms in MeO‐BTBT can coordinate with Pb2+ ions to passivate the defects at the buried interface of perovskite absorber. The derived perovskite films show both high photoluminescence (PL) quantum yield (13.2%) and a long lifetime (7.2 µs). The PSCs based on MeO‐BTBT show a PCE of 24.53% with an impressive fill factor of 85.3%. The PCEs of MeO‐BTBT‐based devices can maintain ≈95% of their initial values after being aged at 65 °C for more than 1000 h or continuous operation under 1‐sun illumination.
Boosting the Output of Liquid–Solid Triboelectric Nanogenerator by an External Charge‐Pumping Strategy
Authors: Wu Peipei , Yang Peng , Liu Zhaoqi , Huang Guangzhao , Tao Xinglin , Qin Siyao , Dong Xuanyi , Zheng Li , Li Hexing , Chen Xiangyu , Wang Zhong Lin 
Published: January 2024

AbstractIn recent years, liquid–solid triboelectric nanogenerator (LSTENG) has attracted great attention. However, its low average power density and long charging time limit the practical application of this technique. Here, for the first time, a liquid–solid triboelectric nanogenerator combined with external charge‐pumping method (ECP‐LSTENG) is proposed. Compared to traditional LSTENGs, a charge storage capacitor is added in this ECP‐LSTENG to store the output charges from the pumping generator. Then, a charge extraction capacitor is formed by the spreading and shrinking processes of falling droplet, while the charging and discharging process between charge storage and extraction capacitors can generate displacement current output for external circuit. Meanwhile, it is found that a special charged droplets adhesion phenomenon happens at the liquid–solid interface, which seriously hinders the continuous output of ECP‐LSTENG. To overcome this limitation, a special coaxial deceleration commutation component is designed to ensure continuous output of the ECP‐LSTENG. Finally, the peak power density of a droplet (50 µL) reaches 231.8 W m−2, surpassing the highest research record to date by 1.43 times. This ECP‐LSTENG provides a different approach for the future development of large‐scale integrated raindrop generators for efficient raindrop energy harvesting.
The Lymphoma Epidemiology of Outcomes cohort study: Design, baseline characteristics, and early outcomes
Authors: Cerhan James R. , Maurer Matthew J. , Link Brian K. , Feldman Andrew L. , Habermann Thomas M. , Jaye David L. , Burack W. Richard , McDonnell Timothy J. , Vega Francisco , Chapman Jennifer R. , Syrbu Sergei , Vij Kiran R. , Inghirami Giorgio , Leonard John P. , Bernal‐Mizrachi Leon , Farooq Umar , Witzig Thomas E. , Weiner George J. , Wang Yucai , Alderuccio Juan P. , Slager Susan L. , Larson Melissa C. , Riska Shaun M. , Gysbers Brianna J. , Lunde Julianne J. , Reicks Tanner W. , Ayers Amy A. , O'Leary Colin B. , Yost Kathleen J. , Liu Hongfang , Nowakowski Grzegorz S. , Ruan Jia , Chihara Dai , Koff Jean L. , Casulo Carla , Thompson Carrie A. , Cohen Jonathon B. , Kahl Brad S. , Nastoupil Loretta J. , Lossos Izidore S. , Friedberg Jonathan W. , Martin Peter , Flowers Christopher R. 
Published: January 2024

AbstractTo address the current and long‐term unmet health needs of the growing population of non‐Hodgkin lymphoma (NHL) patients, we established the Lymphoma Epidemiology of Outcomes (LEO) cohort study (NCT02736357; https://leocohort.org/). A total of 7735 newly diagnosed patients aged 18 years and older with NHL were prospectively enrolled from 7/1/2015 to 5/31/2020 at 8 academic centers in the United States. The median age at diagnosis was 62 years (range, 18–99). Participants came from 49 US states and included 538 Black/African‐Americans (AA), 822 Hispanics (regardless of race), 3386 women, 716 age <40 years, and 1513 rural residents. At study baseline, we abstracted clinical, pathology, and treatment data; banked serum/plasma (N = 5883, 76.0%) and germline DNA (N = 5465, 70.7%); constructed tissue microarrays for four major NHL subtypes (N = 1189); and collected quality of life (N = 5281, 68.3%) and epidemiologic risk factor (N = 4489, 58.0%) data. Through August 2022, there were 1492 deaths. Compared to population‐based SEER data (2015–2019), LEO participants had a similar distribution of gender, AA race, Hispanic ethnicity, and NHL subtype, while LEO was underrepresented for patients who were Asian and aged 80 years and above. Observed overall survival rates for LEO at 1 and 2 years were similar to population‐based SEER rates for indolent B‐cell (follicular and marginal zone) and T‐cell lymphomas, but were 10%–15% higher than SEER rates for aggressive B‐cell subtypes (diffuse large B‐cell and mantle cell). The LEO cohort is a robust and comprehensive national resource to address the role of clinical, tumor, host genetic, epidemiologic, and other biologic factors in NHL prognosis and survivorship.
BN‐Isosteres of Nonacene with Antiaromatic B2C4 and N2C4 Heterocycles: Synthesis and Strong Luminescence**
Authors: Chen Cheng , Chang Zhi‐Dong , Guo Yong‐Kang , Huang Yan‐Bo , Wang Xiao‐Ye 
Published: January 2024

AbstractEmbedding both boron and nitrogen into the backbone of acenes to generate their isoelectronic structures has significantly enriched the acene chemistry to offer appealing properties. However, only small BN‐heteroacenes have been extensively investigated, with BN‐heptacenes as the hitherto longest homologue. Herein, we report the synthesis of three new nonacene BN‐isosteres via incorporating a pair of antiaromatic B2C4 and N2C4 heterocycles, representing a new length record for BN‐heteroacenes. The distance between the B2C4 and N2C4 rings affects the contribution of the charge‐separated resonance forms, leading to tunable antiaromaticity of the two heterocycles. The adjusted local antiaromaticity manifests substantial influence on the molecular orbital arrangement, and consequently, the radiative transition rate of BN‐3 is greatly enhanced compared with BN‐1 and BN‐2, realizing a high fluorescence quantum yield of 92 %. This work provides a novel design concept of large acene BN‐isosteres and reveals the importance of BN/CC isosterism on their luminescent properties.
Design von 3D‐gedruckten heterogenen Reaktorsystemen zur Überwindung von Inkompatibilitätshürden bei der Kombination von Metall‐ und Enzym‐Katalyse in einem Eintopf‐Prozess
Authors: Salitra Nadiya , Gurauskis Jonas , Gröger Harald 
Published: January 2024

AbstractDie Kombination von Chemo‐ und Biokatalyse ermöglicht die Entwicklung neuartiger ökonomischer und nachhaltiger Eintopfverfahren für die Herstellung von Industriechemikalien, welche vorzugsweise in Wasser ablaufen. Während kürzlich anhand einer Reihe von Beispielen der Nachweis für die Kompatibilität solcher Katalysatoren aus diesen beiden unterschiedlichen “Welten der Katalyse” aufgezeigt wurde, blieb die Zusammenführung nicht kompatibler Chemo‐ und Biokatalysatoren für gemeinsame Anwendungen in einem Reaktor eine Herausforderung. Eine konzeptionelle Lösung besteht in der Kompartimentierung der katalytischen Einheiten durch Heterogenisierung kritischer Katalysatorkomponenten, wodurch diese von dem komplementären, nicht kompatiblen Katalysator, Substrat oder Reagenz “abgeschirmt” werden. Am Beispiel eines Eintopfverfahrens, das aus einer Metall‐katalysierten Wacker‐Oxidation und einer enzymatischen Reduktion als nicht‐kompatible Einzelreaktionsschritte besteht, zeigen wir, dass durch den Einsatz des 3D‐Drucks von heterogenen, die kritische Metallkomponente Kupfer enthaltenden Materialien solche Hürden der Inkompatibilität überwinden werden können. Der Einsatz eines 3D‐gedruckten Cu‐Keramikgerüsts als Metallkatalysator‐Komponente ermöglicht eine effiziente Kombination mit dem Enzym und die gewünschte zweistufige Umwandlung von Styrol in das chirale Alkoholprodukt mit hohem Gesamtumsatz und exzellenter Enantioselektivität. Dieses auf 3D‐Druck heterogenisierter Metallkatalysatoren basierende Konzept zur Kompartimentierung stellt eine skalierbare Methodik dar und eröffnet zahlreiche Perspektiven im Hinblick auf dessen Nutzung als allgemeiner Lösungsansatz auch für weitere verwandte chemoenzymatische Forschungsherausforderungen.
Enhanced simultaneous voltammetric detection of dopamine and uric acid using Au@Ni‐metal–organic framework‐modified electrode
Authors: Feng Zhou , Lim Hong Ngee , Ibrahim Izwaharyanie , Endot Nor Azam , Malek Emilia Abdul , Gowthaman N. S. Krishnan 
Published: January 2024

A novel conductive Ni‐based metal–organic framework (MOF) decorated with Au nanoparticles (AuNPs; Au@Ni‐MOF) was developed and used as a drop‐cast thin‐film electrode to individually and simultaneously quantify dopamine (DA) and uric acid (UA). The Ni‐MOF composite was synthesized using an in situ growth strategy involving the growth of [Ni3(BTC)2(H2O)6]n (BTC = 1,3,5‐benzenetricarboxylate) with coordinatively unsaturated Ni (II) sites. The Ni‐MOF powder was then mixed with a AuNP solution to produce a Au@Ni‐MOF hybrid material. The synthesized Au@Ni‐MOF hybrid material was employed as a surface modifier for a screen‐printed carbon electrode, and its efficacy for the detection of DA and UA was assessed using differential pulse voltammetry (DPV) and cyclic voltammetry. The developed sensor exhibited remarkable sensitivity, achieving low detection limits of approximately 0.027 and 0.028 μM (S/N = 3) in the simultaneous quantification of DA and UA, respectively. The sensor exhibited an extensive linear range of 0.5 μM to 1 mM, coupled with excellent sensitivities for DA and UA of 1.43 and 1.35 μA μM−1 cm−2, respectively. Furthermore, the sensor performance in human serum and urine samples was successfully validated using DPV, which revealed outstanding recovery rates of 93.8–105.0% with a minimal relative standard deviation below 3%. Moreover, the synthesized Au@Ni‐MOF composite exhibited exceptional dispersion stability, high sensitivity, and remarkable selectivity, which were attributed to the well‐arranged combination of AuNPs and Ni‐MOFs, enabling its use in non‐enzymatic sensing applications targeting DA and UA.
Copolyimide molecular brushes with poly(methacrylic acid) side chains as additive to polyphthalamide membrane: Organization, physical, and transport properties
Authors: Ivanov Ivan V. , Polotskaya Galina A. , Kuryndin Ivan S. , Sokolova Maria P. , Yakimansky Alexander V. 
Published: January 2024

AbstractMacromolecules of complex architecture find application as modifiers of commercial polymeric membrane materials. In this work, copolyimide molecular brushes (coPI) composed of polyimide backbone and poly(methacrylic acid) side chains were used to modify poly(m‐phenylene iso‐phthalamide) (PPA). Structure, physical, mechanical, and transport properties of dense nonporous PPA/coPI membranes containing up to 10 wt% coPI were studied. The effect of included coPI on the membrane structure was estimated using atomic force microscopy and mechanical tests. The coPI modifier contributes to the additional formation of free volume elements evenly distributed throughout the membrane. Transport properties of PPA/coPI membranes were investigated via sorption tests and pervaporation separation of methanol (MeOH) and methyl tert‐butyl ether (MTBE) mixtures. The inclusion of coPI modifier in the PPA membrane leads to an increase in the total flux of the membrane. The highest separation factor was found for the PPA/coPI membrane containing 10 wt% coPI; transport properties of the best membrane were compared with the literature data on separation of the azeotropic MeOH–MTBE mixture.