bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of ventilation modalities on the early prognosis of patients with poststroke sleep apnea
Authors: Li Zhuanyun , Pang Ming , Zhang Jinnong , Mao Ling , Wang Xiaorong , Sun Peng 
Published: November 2023

AbstractObjectiveContinuous positive airway pressure (CPAP) is the primary modality for treating sleep apnea after acute ischemic stroke (AIS). However, not all patients are well adherent to CPAP. Finding an alternative modality of ventilation to CPAP is essential.MethodsThis prospective randomized clinical trial was conducted from 1 May 2022 to 8 January 2023 at the Department of Neurology, Wuhan Union Hospital. Participants diagnosed with sleep apnea after AIS were grouped according to block randomization principles into the usual care group (nasal cannula and facemask), nasal continuous positive airway pressure (nCPAP) group, and high‐flow nasal cannula (HFNC) group. Rates of pulmonary infection and endotracheal intubation within 1 week of hospitalization and 28‐day mortality (poststroke) were the primary outcomes (early prognosis).ResultsIn the trial, 178 patients (119 males [66.85%]; mean [SD] age, 61.04 [11.78] years) were eventually enrolled in the usual care group (n = 63), the nCPAP group (n = 55), and the HFNC group (n = 60). After ventilation, the nCPAP and HFNC groups were more effective than the usual care group in reducing the rate of pulmonary infection, endotracheal intubation, and improving neurological function and sleep apnea severity. However, there was no difference in 28‐day mortality. Additionally, the improvement in prognosis was consistent between nCPAP and HFNC. In the comparison of comfort, the HFNC group was superior to nCPAP.InterpretationnCPAP and HFNC reduced early pulmonary infection rates and endotracheal intubation rates. For patients with poor compliance with nCPAP, HFNC may be the best alternative.
Nature‐Inspired Structure‐Engineered TiN/TiO2 Nanotubes Array Toward Solar Desalination Synergy with Photothermal‐Enhanced Degradation and Thermoelectric Generation
Authors: Du Yuping , Liu Peng , Zhang He , Zou Lie , Deng Kuan , Li Xiaoke , Tian Wen , Ji Junyi 
Published: November 2023

AbstractSolar‐driven interfacial evaporation systems are considered as promising technology to alleviate the water scarcity crisis, yet lack of innovative evaporators obstructs further improvement of energy utilization efficiency. Herein, inspired by mangrove, the structure‐engineered design is utilized to synthesis multi‐level reflection TiN/TiO2@carbon cloth (CC) nanotubes array. The hollowed TiO2 nanorods can promote expeditious water transport, while the TiN/TiO2 array can act as localized surface plasmon resonance (LSPR)‐enhanced multi‐level reflection structure for solar energy harvesting. The enhanced light absorption capability of the bionic nanostructure is confirmed by finite‐difference time‐domain (FDTD) simulations. Therefore, the TiN/TiO2@CC‐3 exhibits high evaporation rate of 2.02 kg m−2 h−1 under 1 solar illumination, which is comparable or better than most of fabric‐based evaporators. When applied in wide acid–base (pH 1–13) and salinity range (8–100 ‰) over 15 days, the TiN/TiO2@CC‐3 displays outstanding durability. Furthermore, to expand application scope of the elaborate nanostructure, photothermal‐enhanced photocatalysis and thermoelectricity generation applications are evaluated, while these new functionalities are integrated into solar‐driven desalination system. The outdoor device exhibits daily water yield of 10.89 kg m−2, synergy with maximum 200.7 mV output voltage and high dye degradation efficiency, demonstrating flexible applications in multi‐functional interfacial evaporation systems according to various requirements.
Dissolution Manufacturing Strategy for Designing Efficient and Low Cost Polymeric Solar Water Evaporator
Authors: Ruan Wenqing , Zhang Heting , Fu Jianan , Li Zhen , Huang Jinbiao , Liu Zehang , Zeng Shenghao , Chen Zhe , Li Xin , Yu Zhang , Liang Xiong , Ma Jiang 
Published: November 2023

AbstractThe scarcity of fresh water is a pressing issue globally, and solar water evaporation technology has emerged as a leading method for producing fresh water. However, the preparation of solar evaporators is hindered by high costs, complexity, and environmental concerns. In this work, a solar evaporator with hierarchical porous structure is prepared using a simple, low‐cost, and environmentally friendly dissolution manufacturing strategy. Excellent photothermal conversion capability and salt drainage performance are found owing to its hierarchical porous structure. The prepared sample exhibits a water evaporation rate of 2.19 kg m−2 h−1 and achieves evaporation efficiency of 84.3% under one sun. Furthermore, the evaporation rates of the samples in seawater and methylene blue are 2.04, and 1.98 kg m−2 h−1, respectively. The evaporation rate remains stable after ten evaporation cycles. The strategy also overcomes the dimensional limitations of traditional methods, as large‐size samples prepared by this strategy are successfully evaluated for evaporation experiments with natural seawater under sunny weather, and the quantity of water collected is ≈170 g in 6 h. The proposed strategy will offer not only sustainable water purification technologies, but also new routes for solar water evaporation, solar steam generation, and photothermal drive fields.
N‐Heterocycle Modified Graphene Quantum Dots as Topoisomerase Targeted Nanoantibiotics for Combating Microbial Infections
Authors: Su Yan , Hu Jinyan , Wang Yang , Li Yuan , Xiao Longfei , He Xialing , Zhang Zhenlin , Cai Jinming , Pan Dengyu , Chen Yu , Geng Bijiang , Li Ping , Shen Longxiang 
Published: November 2023

AbstractDeveloping next‐generation antibiotics to eliminate multidrug‐resistant (MDR) bacteria/fungi and stubborn biofilms is challenging, because of the excessive use of currently available antibiotics. Herein, the fabrication of anti‐infection graphene quantum dots (GQDs) is reported, as a new class of topoisomerase (Topo) targeting nanoantibiotics, by modification of rich N‐heterocycles (pyridinic N) at edge sites. The membrane‐penetrating, nucleus‐localizing, DNA‐binding GQDs not only damage the cell walls/membranes of bacteria or fungi, but also inhibit DNA‐binding proteins, such as Topo I, thereby affecting DNA replication, transcription, and recombination. The obtained GQDs exhibit excellent broad‐spectrum antimicrobial activity against non‐MDR bacteria, MDR bacteria, endospores, and fungi. Beyond combating planktonic microorganisms, GQDs inhibit the formation of biofilms and can kill live bacteria inside biofilms. RNA‐seq further demonstrates the upregulation of riboflavin biosynthesis genes, DNA repair related genes, and transport proteins related genes in methicillin‐resistant S. aureus (MRSA) in response to the stress induced by GQDs. In vivo animal experiments indicate that the biocompatible GQDs promote wound healing in MRSA or C. albicans‐infected skin wound models. Thus, GQDs may be a promising antibacterial and antifungal candidate for clinical applications in treating infected wounds and eliminating already‐formed biofilms.
Modulating the Electronic Metal‐Support Interactions to Anti‐Leaching Pt Single Atoms for Efficient Hydrosilylation
Authors: Zhang Tianyu , Yang Xiang , Jin Jing , Han Xu , Fang Yingyan , Zhou Xulin , Li Yaping , Han Aijuan , Wang Yu , Liu Junfeng 
Published: November 2023

AbstractModulating the electronic metal‐support interaction (EMSI) of the single‐atomic sites against leaching via microenvironment regulation is critical to achieving high activity and stability but remains challenging. Herein, this work selectively confines Pt single atoms on CoFe layered double hydroxide (LDH) by three oxygen atoms around cation vacancy (Pt1/LDHV) or one oxygen atom at the regular surface (Pt1/LDH) via cation vacancy engineering. By characterizing the structural evolution of the obtained catalysts before and after vacancy construction and single‐atom anchoring, this work demonstrates how the microenvironments modulate the EMSI and the catalytic performance. Theoretical simulations further reveal a significantly enhanced EMSI effect by the three‐coordinated Pt1 atoms on cation vacancies in Pt1/LDHV, which endows a more prominent anti‐leaching feature than the one‐coordinated ones on the regular surface. As a result, the Pt1/LDHV catalyst shows exceptional performance in anti‐Markovnikov alkene hydrosilylation, with a turnover frequency of 1.3 × 105 h−1. More importantly, the enhanced EMSI of Pt1/LDHV effectively prevented the leaching of Pt atom from the catalyst surface and can be recycled at least ten times with only a 3.4% loss of catalytic efficiency with minimal Pt leaching, and reach a high turnover number of 1.0 × 106.
Tailored Succinic Acid‐Derived Molecular Structures toward 25.41%‐Efficiency and Stable Perovskite Solar Cells
Authors: Wang Qi , Chen Yuting , Chen Xin , Tang Weijian , Qiu Wuke , Xu Xiaopeng , Wu Yihui , Peng Qiang 
Published: November 2023

AbstractMinimizing interfacial charged traps in perovskite films is crucial for reducing the non‐radiative recombination and improving device performance. In this study, succinic acid (SA) derivatives varying active sites and spatial configurations are designed to modulate defects and crystallization in perovskite film. The SA derivative with two symmetric Br atoms, dibromosuccinic acid (DBSA), exhibits the optimal spatial arrangement for defect passivation. Experimental and theoretical results indicate that the carboxyl group and atomic Br in DBSA synergistically interact with the under‐coordinated Pb2+. Moreover, the strong electronegativity of Br efficiently stabilizes the formamidinium cation via electrostatic interaction. Consequently, film quality is significantly improved and non‐radiative recombination is markedly depressed, resulting in a photoluminesence lifetime of exceeding 4 µs of and a carrier diffusion length of 3 µm. An exceptional efficiency of 25.41% (certified at 25.00%) along with a high fill factor of 84.39% and excellent long‐term operational stability have been achieved finally.
Stepless IR Chromism in Ti3C2Tx MXene Tuned by Interlayer Water Molecules
Authors: Li Keqiao , Lin Chongjia , Liu Gongze , Wang Guang , Ma Wei , Li Meng , Li Yang , Huang Baoling 
Published: November 2023

AbstractReal‐time control over infrared (IR) radiation of objects is highly desired in a variety of areas such as personal thermal regulation and IR camouflage. This requires the dynamic modulation of IR emissivity in a stepless manner over a wide range (>50%), which remains a daunting challenge. Here, an emissivity modulation phenomenon is reported in stacked 2D Ti3C2Tx MXene nanosheets, from 12% to 68% as the intercalation/discharging of water molecules within the interlayers. The intercalation of water molecules dynamically changes the electronic properties and the complex permittivity in IR frequencies of Ti3C2Tx. This emissivity modulation is a stepless and reversible process without the assistance of any external energy input. Further, intercalating cellulose nanofibers into the Ti3C2Tx interlayers makes this dynamic process highly repeatable. Last, a sweat‐responsive adaptive textile that can improve thermal comfort of human body under changes in metabolic rates and environmental conditions is demonstrated, showing great potential of this mechanism in passive on‐demand radiation modulation.
A PD‐L1‐targeting Regulator for Metabolic Reprogramming to Enhance Glutamine Inhibition‐Mediated Synergistic Antitumor Metabolic and Immune Therapy
Authors: Jin Xiao‐Kang , Zhang Shi‐Man , Liang Jun‐Long , Zhang Shun‐Kang , Qin You‐Teng , Huang Qian‐Xiao , Liu Chuan‐Jun , Zhang Xian‐Zheng 
Published: November 2023

AbstractInhibition of glutamine metabolism in tumor cells can cause metabolic compensation‐mediated glycolysis enhancement and PD‐L1 upregulation‐induced immune evasion, significantly limiting the therapeutic efficacy of glutamine inhibitors. Here, inspired by the specific binding of receptor and ligand, a PD‐L1‐targeting metabolism and immune regulator (PMIR) are constructed by decorating the glutaminase inhibitor (BPTES)‐loading zeolitic imidazolate framework (ZIF) with PD‐L1‐targeting peptides for regulating the metabolism within the tumor microenvironment (TME) to improve immunotherapy. At tumor sites, PMIR inhibits glutamine metabolism of tumor cells for elevating glutamine levels within the TME to improve the function of immune cells. Ingeniously, the accompanying PD‐L1 upregulation on tumor cells causes self‐amplifying accumulation of PMIR through PD‐L1 targeting, while also blocking PD‐L1, which has the effects of converting enemies into friends. Meanwhile, PMIR exactly offsets the compensatory glycolysis, while disrupting the redox homeostasis in tumor cells via the cooperation of components of the ZIF and BPTES. These together cause immunogenic cell death of tumor cells and relieve PD‐L1‐mediated immune evasion, further reshaping the immunosuppressive TME and evoking robust immune responses to effectively suppress bilateral tumor progression and metastasis. This work proposes a rational strategy to surmount the obstacles in glutamine inhibition for boosting existing clinical treatments.
A Gate‐Tunable Ambipolar Quantum Phase Transition in a Topological Excitonic Insulator
Authors: Que Yande , Chan Yang‐Hao , Jia Junxiang , Das Anirban , Tong Zhengjue , Chang Yu‐Tzu , Cui Zhenhao , Kumar Amit , Singh Gagandeep , Mukherjee Shantanu , Lin Hsin , Weber Bent 
Published: November 2023

AbstractCoulomb interactions among electrons and holes in 2D semimetals with overlapping valence and conduction bands can give rise to a correlated insulating ground state via exciton formation and condensation. One candidate material in which such excitonic state uniquely combines with non‐trivial band topology are atomic monolayers of tungsten ditelluride (WTe2), in which a 2D topological excitonic insulator (2D TEI) forms. However, the detailed mechanism of the 2D bulk gap formation in WTe2, in particular with regard to the role of Coulomb interactions, has remained a subject of ongoing debate. Here, it shows that WTe2 is susceptible to a gate‐tunable quantum phase transition, evident from an abrupt collapse of its 2D bulk energy gap upon ambipolar field‐effect doping. Such gate tunability of a 2D TEI, into either n‐ and p‐type semimetals, promises novel handles of control over non‐trivial 2D superconductivity with excitonic pairing.
Split‐Type Magnetic Soft Tactile Sensor with 3D Force Decoupling
Authors: Dai Huangzhe , Zhang Chengqian , Pan Chengfeng , Hu Hao , Ji Kaipeng , Sun Haonan , Lyu Chenxin , Tang Daofan , Li Tiefeng , Fu Jianzhong , Zhao Peng 
Published: November 2023

AbstractTactile sensory organs for sensing 3D force, such as human skin and fish lateral lines, are indispensable for organisms. With their sensory properties enhanced by layered structures, typical sensory organs can achieve excellent perception as well as protection under frequent mechanical contact. Here, inspired by these layered structures, a split‐type magnetic soft tactile sensor with wireless 3D force sensing and a high accuracy (1.33%) fabricated by developing a centripetal magnetization arrangement and theoretical decoupling model is introduced. The 3D force decoupling capability enables it to achieve a perception close to that of human skin in multiple dimensions without complex calibration. Benefiting from the 3D force decoupling capability and split design with a long effective distance (>20 mm), several sensors are assembled in air and water to achieve delicate robotic operation and water flow‐based navigation with an offset <1.03%, illustrating the extensive potential of magnetic tactile sensors in flexible electronics, human‒machine interactions, and bionic robots.
Asymmetric Cross Couplings of Trifluoromethyl Radical to Vinylarenes with N‐Hydroxy‐oxazinediones and Subsequent Aerobic Oxidative Homocoupling of 2‐Naphthols Catalysed by Chiral Vanadyl Complexes
Authors: Chen Chien‐Tien , Hung Shiang‐Fu , Tsai Bang‐You , Chen Tsung‐Cheng , Lein Chien‐I , Tseng Pin‐Xuan , Chang Yu‐Chang , Chuang Chin‐Wei , Agarwal Rachit , Hsu Chan‐Wei , Shimizu Yuto , Fujii Ryoma , Mori Seiji 
Published: November 2023

AbstractAsymmetric three‐component, 1,2‐aminoxy‐trifluoromethylation of styrenes with N‐hydroxy‐1,3‐benz/naphthoxazine‐2,4‐diones (i. e., N‐OH‐(B/Np)OxzOn) catalysed by chiral vanadyl complexes derived from N‐salicylidene‐L‐t‐leucinate were explored. Among 14 different solvents and 13 different catalysts screened, the best reaction scenarios were in 2‐propanol with 3‐(2,5‐dimethyl)phenyl‐5‐bromo (DMP), or 3‐t‐butyl‐5‐bromo substituted catalysts that led to the corresponding complementary (R)‐ and (S)‐products with potential biological activities in 45–91% yields and up to 85 and 75% ee, respectively. Further optimisation with the DMP catalyst led to the best combination of 3‐halo/3,5‐dihalo‐styrenes with 6‐/7‐Br−N−OH‐(B/Np)OxzOn as the trapping agents. The corresponding eight different products were isolated in 52–75% yields with ees in a range of 88–93% (R). Based on Density Functional Theory (DFT) calculations with conformational searches, the origin of enantiocontrol and the working mechanism were proposed by resorting to a bidentate‐chelation between the amide or carbamate C=O group and N−OH group in the trapping agent to the vanadyl center followed by asymmetric benzylic radical trapping in an SH2 fashion. Subsequent Fragment Molecular Orbital (FMO)/Pair Interaction Energy Decomposition Analysis (PIEDA) calculations with the DMP catalyst were carried out to rationalize the extent of asymmetric induction. One representative product derived from p‐methyl‐styrene and NpOxzOn was hydrolyzed in basic MeOH with decarboxylation to unmask its carbamate moiety. The resulting chiral (R)‐N‐benzoxy‐3‐hydroxy‐2‐naphthamide was subjected to aerobic, oxidative homo‐coupling catalysed by the DMP catalyst in CCl4. The corresponding 2,2‐binaphthol product was isolated in 90% (brsm) yield with nearly complete diastereo‐control at the created (M)‐axial chirality, allowing for sequential, bi‐functional asymmetric cross‐coupling applications.
Total Synthesis of the Myrioneuron Alkaloid (−)‐Schoberine B and Its Enantiomer (+)‐Schoberine B
Authors: Calbó Arnau , Griera Rosa , Bosch Joan , Amat Mercedes 
Published: November 2023

AbstractA dynamic kinetic asymmetric transformation, involving the generation of four stereogenic centers with a well‐defined configuration, occurs in the cyclocondensation of diastereomeric mixtures of 2‐oxocyclohexanepropionic acid racemates 6 with (1S,2R)‐cis‐aminoindanol: two major tetracyclic lactams, 7 a and 7 b, that differ in the configuration of the four stereocenters on the decahydroquinoline moiety were obtained. From the above lactams, the removal of the chiral auxiliary, the introduction of a 2‐piperidone ring, and the closure of the diazine ring complete the first enantioselective total synthesis of the Myrioneuron alkaloid (−)‐schoberine B and its enantiomer (+)‐schoberine B.
Mechanistic Insights on the Enantioselective (4+3) Cycloaddition Between Oxyallylcations and Furans Catalyzed by BINOL‐Based Phosphoramides
Authors: Pedrón Manuel , Villar Laura , Uria Uxue , Prieto Liher , Tejero Tomas , Merino Pedro , Vicario Jose L. 
Published: November 2023

AbstractThe mechanism of the enantioselective (4+3) cycloaddition between furan derivatives and oxyallylcations, which are generated from the corresponding oxiranes through in situ oxidation of allenamides, has been studied using DFT methods. The research has revealed that, under acid‐catalysis by a chiral non‐racemic phosphoramide, the epoxide ring‐opening proceeds without any energy barrier, while the rate‐limiting step is the electrophilic attack of the intermediate enaminium ion on the furan ring. The reaction exhibits low energy barriers when dealing with furan derivatives unsubstituted at C2 and C5. Calculations predict the formation of an achiral regioisomer for 2‐substituted furans, a prediction that has been experimentally confirmed. Additionally, the calculations accurately predict the reaction with substituted allenamides.
Rh‐Catalyzed Cycloaddition of C60 with Enynes: Unveiling the Mechanistic Pathway
Authors: Castanyer Cristina , Artigas Albert , Insa‐Carreras Nil , Solà Miquel , Pla‐Quintana Anna , Roglans Anna 
Published: November 2023

AbstractIn this study we present a method for functionalizing C60 through a Rh‐catalyzed cyclization reaction with 1,6‐enynes, resulting in the formation of a fused bicyclic structure. Additionally, fullerene derivatives are further functionalized through regioselective photooxygenation reactions. Our DFT calculations reveal two distinct reaction pathways: one involving rhodium‐catalyzed cycloisomerization of the enyne followed by Diels‐Alder with C60, and the other featuring a rhodium‐catalyzed [2+2+2] cycloaddition of enyne and C60 followed by isomerization. Surprisingly, both pathways exhibit nearly identical energy barriers. However, experimental tests indicate that the predominant pathway varies depending on the substitution motifs of the substrates.
Biomass‐Derived Carbon Materials for the Adsorption of Organic Pollutants
Authors: Qiu Shuxian , Li Qiaoling , Li Xiaoying , Ma Jingxing , Wu Liqing , Xie Xiangjuan , Wu Lixia , Askari Saeed , Dewangan Nikita , Ashok Jangam , Gao Xingyuan , Kawi Sibudjing 
Published: November 2023

AbstractWith the development of economy and increasing environmental awareness, how to effectively remove organic pollutants in wastewater is a research hotspot. Adsorption is one of the effective methods, and the adsorption material is the key factor to determine the efficiency. In this review, biomass‐derived carbon materials as adsorbents of organic pollutants and the adsorption mechanism are discussed in depth. The effects of carbonization and activation on the morphology and structure of carbon materials; the modification strategies of carbon adsorbents, the adsorption performance of biomass‐derived carbon materials for organic pollutants are described and illustrated; the future work of the biomass‐derived carbon materials is proposed.
Structural and Physicochemical Properties of Carbon Doped Boron Nitride Fullerenes: Effect of Doping Level and Atomic Arrangement
Authors: Escobedo‐Morales Alejandro , Salazar‐Villanueva Martín , Guatemala‐Vera Hiram , Pedraza‐Chan María S. , Camacho‐García José H. , Chigo‐Anota Ernesto 
Published: November 2023

AbstractThe effect of carbon doping on the structural and physicochemical properties of B12N12‐xCx [4, 6]‐fullerenes (0 ≤ x ≤ 6) (BNFs) is studied in the frame of the density functional theory. All non‐symmetry related isomers are modeled. Although carbon doping reduces the cohesive energy of the BNFs, most of them remain stable. It is found that the location of carbon atoms in the lowest‐energy isomers follows a definite sequence as the doping level increases. The results indicate that substitutional carbon lowers the gap energy and chemical hardness of BNFs, but it increases their electronegativity and electrophilicity index. Particularly, carbon doping makes BNFs more susceptible to nucleophilic attacks. Additionally, the charge redistribution and structural asymmetry generated by carbon doping endows BNFs with polar character. A dipole alignment parameter is introduced to elucidate some correlation between the atomic arrangement and the polarity of the systems. While carbon doping enhances the capability of BNFs to interact with other chemical species, possible toxicity concerns are highlighted. Finally, possible fingerprints to identify successful carbon doping through infrared and UV–vis spectroscopy are proposed.