bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unraveling Thermal Transport Correlated with Atomistic Structures in Amorphous Gallium Oxide via Machine Learning Combined with Experiments
Authors: Liu Yuanbin , Liang Huili , Yang Lei , Yang Guang , Yang Hongao , Song Shuang , Mei Zengxia , Csányi Gábor , Cao Bingyang 
Published: February 2023

AbstractThermal transport properties of amorphous materials are crucial for their emerging applications in energy and electronic devices. However, understanding and controlling thermal transport in disordered materials remains an outstanding challenge, owing to the intrinsic limitations of computational techniques and the lack of physically intuitive descriptors for complex atomistic structures. Here, it is shown how combining machine‐learning‐based models and experimental observations can help to accurately describe realistic structures, thermal transport properties, and structure–property maps for disordered materials, which is illustrated by a practical application on gallium oxide. First, the experimental evidence is reported to demonstrate that machine‐learning interatomic potentials, generated in a self‐guided fashion with minimum quantum‐mechanical computations, enable the accurate modeling of amorphous gallium oxide and its thermal transport properties. The atomistic simulations then reveal the microscopic changes in the short‐range and medium‐range order with density and elucidate how these changes can reduce localization modes and enhance coherences’ contribution to heat transport. Finally, a physics‐inspired structural descriptor for disordered phases is proposed, with which the underlying relationship between structures and thermal conductivities is predicted in a linear form. This work may shed light on the future accelerated exploration of thermal transport properties and mechanisms in disordered functional materials.
Ethanol‐Induced Ni2+‐Intercalated Cobalt Organic Frameworks on Vanadium Pentoxide for Synergistically Enhancing the Performance of 3D‐Printed Micro‐Supercapacitors
Authors: Zhou Huijie , Zhu Guoyin , Dong Shengyang , Liu Pin , Lu Yiyao , Zhou Zhen , Cao Shuai , Zhang Yizhou , Pang Huan 
Published: February 2023

AbstractThe synthesis of metal‐organic framework (MOF) nanocomposites with high energy density and excellent mechanical strength is limited by the degree of lattice matching and crystal surface structure. In this study, dodecahedral ZIF‐67 is synthesized uniformly on vanadium pentoxide nanowires. The influence of the coordination mode on the surface of ZIF‐67 in ethanol is also investigated. Benefitting from the different coordination abilities of Ni2+, Co2+, and N atoms, spatially separated surface‐active sites are created through metal‐ion exchange. Furthermore, the incompatibility between the d8 electronic configuration of Ni2+ and the three‐dimensional (3D) structure of ZIF‐67 afforded the synthesis of hollow structures by controlling the amount of Ni doping. The formation of NiCo‐MOF@CoOOH@V2O5 nanocomposites is confirmed using X‐ray absorption fine structure analysis. The high performance of the obtained composite is illustrated by fabricating a 3D‐printed micro‐supercapacitor, exhibiting a high area specific capacitance of 585 mF cm−2 and energy density of 159.23 µWh cm−2 (at power density = 0.34 mW cm−2). The solvent/coordination tuning strategy demonstrated in this study provides a new direction for the synthesis of high‐performance nanomaterials for electrochemical energy storage applications.
Genetically Engineering Cell Membrane‐Coated BTO Nanoparticles for MMP2‐Activated Piezocatalysis‐Immunotherapy
Authors: Tang Qingshuang , Sun Suhui , Wang Ping , Sun Lihong , Wang Yuan , Zhang Lulu , Xu Menghong , Chen Jing , Wu Ruiqi , Zhang Jinxia , Gong Ming , Chen Qingfeng , Liang Xiaolong 
Published: February 2023

AbstractTumor immunotherapy based on immune checkpoint blockade (ICB) still suffers from low host response rate and non‐specific distribution of immune checkpoint inhibitors, greatly compromising the therapeutic efficiency. Herein, cellular membrane stably expressing matrix metallopeptidase 2 (MMP2)‐activated PD‐L1 blockades is engineered to coat ultrasmall barium titanate (BTO) nanoparticle for overcoming the immunosuppressive microenvironment of tumors. The resulting M@BTO NPs can significantly promote the BTO's tumor accumulation, while the masking domains on membrane PD‐L1 antibodies are cleaved when exposure to MMP2 highly expressed in tumor. With ultrasound (US) irradiation, M@BTO NPs can simultaneously generate reactive oxygen species (ROS) and O2 based on BTO mediated piezocatalysis and water splitting, significantly promoting the intratumoral infiltration of cytotoxic T lymphocytes (CTLs) and improving the PD‐L1 blockade therapy to the tumor, resulting in effective tumor growth inhibition and lung metastasis suppression in a melanoma mouse model. This nanoplatform combines MMP2‐activated genetic editing cell membrane with US responsive BTO for both immune stimulation and specific PD‐L1 inhibition, providing a safe and robust strategy in enhancing immune response against tumor.
Bias in Intracellular Luminescence Thermometry: The Case of the Green Fluorescent Protein
Authors: Rodríguez‐Sevilla Paloma , Spicer Graham , Sagrera Ana , Adam Alejandro P. , Efeyan Alejo , Jaque Daniel , Thompson Sebastian A. 
Published: February 2023

AbstractMeasurement of intracellular temperature in a fast, accurate, reliable, and remote manner is crucial for the understanding of cellular processes. Nanothermometers based on the green fluorescence protein (GFP) are of special interest because intracellular temperature readouts can be obtained from the analysis of the polarization state of its luminescence. Despite the good results provided by GFP thermometers, the reliability of their intracellular thermal readouts is still a question of debate. Here, light is shed on this issue by introducing cell activity as a relevant bias mechanism that prevents the use of GFP for reliable intranuclear thermal measurements. Experimental evidence that this lack of reliability can affect not only GFP but also other widely used thermometers such as semiconductor nanocrystals is provided. It is discussed how differences observed between calibration curves obtained in presence and absence of cell activity can inform about the presence of bias. The presented results and discussion are aimed to warn the community working in intracellular thermometry and encourage authors to approach the issue in a conscious manner. The performance and reliability of the chosen intracellular thermometers must be judiciously assessed. This is the only way intracellular thermometry can progress and deliver indisputable results.
Primary Human Pancreatic Cancer Cells Cultivation in Microfluidic Hydrogel Microcapsules for Drug Evaluation
Authors: Song Taiyu , Zhang Hui , Luo Zhiqiang , Shang Luoran , Zhao Yuanjin 
Published: February 2023

AbstractChemotherapy is an essential postoperative treatment for pancreatic cancer, while due to the lack of effective drug evaluation platforms, the therapeutic outcomes are hampered by tumor heterogeneity among individuals. Here, a novel microfluidic encapsulated and integrated primary pancreatic cancer cells platform is proposed for biomimetic tumor 3D cultivation and clinical drug evaluation. These primary cells are encapsulated into hydrogel microcapsules of carboxymethyl cellulose cores and alginate shells based on a microfluidic electrospray technique. Benefiting from the good monodispersity, stability, and precise dimensional controllability of the technology, the encapsulated cells can proliferate rapidly and spontaneously form 3D tumor spheroids with highly uniform size and good cell viability. By integrating these encapsulated tumor spheroids into a microfluidic chip with concentration gradient channels and culture chambers, dynamic and high‐throughput drug evaluation of different chemotherapy regimens could be realized. It is demonstrated that different patient‐derived tumor spheroids show different drug sensitivity on‐chip, which is significantly consistent with the clinical follow‐up study after the operation. The results demonstrate that the microfluidic encapsulated and integrated tumor spheroids platform has great application potential in clinical drug evaluation.
Interface Engineering via Regulating Electrolyte for High‐Voltage Layered Oxide Cathodes‐Based Li‐Ion Batteries
Authors: Cheng Fangyuan , Xu Jia , Wei Peng , Cheng Zexiao , Liao Mengyi , Sun Shixiong , Xu Yue , Li Qing , Fang Chun , Lin Yaqing , Han Jiantao , Huang Yunhui 
Published: February 2023

AbstractLi‐rich and Ni‐rich layered oxides as next‐generation high‐energy cathodes for lithium‐ion batteries (LIBs) possess the catalytic surface, which leads to intensive interfacial reactions, transition metal ion dissolution, gas generation, and ultimately hinders their applications at 4.7 V. Here, robust inorganic/organic/inorganic‐rich architecture cathode‐electrolyte interphase (CEI) and inorganic/organic‐rich architecture anode‐electrolyte interphase (AEI) with F‐, B‐, and P‐rich inorganic components through modulating the frontier molecular orbital energy levels of lithium salts are constructed. A ternary fluorinated lithium salts electrolyte (TLE) is formulated by mixing 0.5 m lithium difluoro(oxalato)borate, 0.2 m lithium difluorophosphate with 0.3 m lithium hexafluorophosphate. The obtained robust interphase effectively suppresses the adverse electrolyte oxidation and transition metal dissolution, significantly reduces the chemical attacks to AEI. Li‐rich Li1.2Mn0.58Ni0.08Co0.14O2 and Ni‐rich LiNi0.8Co0.1Mn0.1O2 in TLE exhibit high‐capacity retention of 83.3% after 200 cycles and 83.3% after 1000 cycles under 4.7 V, respectively. Moreover, TLE also shows excellent performances at 45 °C, demonstrating this inorganic rich interface successfully inhibits the more aggressive interface chemistry at high voltage and high temperature. This work suggests that the composition and structure of the electrode interface can be regulated by modulating the frontier molecular orbital energy levels of electrolyte components, so as to ensure the required performance of LIBs.
Exploring barriers to SARS‐CoV‐2 testing uptake in underserved black communities in Louisiana
Authors: Katzmarzyk Peter T. , Myers Candice A. , Nelson Michelle R. , Denstel Kara D. , Mire Emily F. , Newton Robert L. , Broyles Stephanie T. , Kirwan John P. 
Published: February 2023

AbstractObjectiveTo collect qualitative data on approaches that can potentially reduce barriers to, and create strategies for, increasing SARS‐CoV‐2 testing uptake in underserved Black communities in Louisiana.MethodsA series of eight focus groups, including 41 participants, were conducted in primarily Black communities. The Nominal Group Technique (NGT) was used to determine perceptions of COVID‐19 as a disease, access to testing, and barriers limiting testing uptake.ResultsCommon barriers to SARS‐CoV‐2 testing were identified as lack of transportation, misinformation/lack of information, lack of time/long wait times, fear of the test being uncomfortable and/or testing positive, the cost of testing, and lack of computer/smartphone/internet. The most impactful approaches identified to increase testing uptake included providing testing within the local communities; testing specifically in heavily traveled areas such as supermarkets, churches, schools, and so forth; providing incentives; engaging local celebrities; and providing information to the community through health fairs, or through churches and schools. The strategies that were deemed to be the easiest to implement revolved around communication about testing, with suggested strategies involving churches, local celebrities or expert leaders, social media, text messages, public service announcements, post cards, or putting up signs in neighborhoods. Providing transportation to testing sites, providing incentives, and bringing the testing to neighborhoods and schools were also identified as easy to implement strategies.ConclusionsSeveral strategies to increase testing uptake were identified in this population. These strategies need to be tested for effectiveness in real‐world settings using experimental and observational study designs.
Alkaline‐Stable Anion‐Exchange Membranes with Barium [2.2.2]Cryptate Cations: The Importance of High Binding Constants
Authors: Zhang Haixia , Wang Xiaoyang , Wang Yu , Zhang Yin , Zhang Wenjuan , You Wei 
Published: February 2023

AbstractThe stability of cationic functional groups is one of the key factors determining lifetime of alkaline anion‐exchange membranes (AAEMs) and the AAEM‐based electrochemical devices. Main‐group metal and crown ether complexes are stable cations due to the absence of degradation pathways including nucleophilic substitution, Hofmann elimination, and cation redox. However, the binding strength, a key feature for AAEM applications, is overlooked in previous work. We herein propose the use of barium [2.2.2]cryptate ([Cryp‐Ba]2+) as a new cationic functional group for AAEMs due to its extremely strong binding (109.5 M−1 in water at 25 °C). The [Cryp‐Ba]2+‐AAEMs with polyolefin backbones remain stable after treatment in 15 M KOH at 60 °C for over 1500 hours. More importantly, these AAEMs are successfully applied in water electrolyzers, and an anolyte‐feeding switch method is designed to further reveal the influence of binding constants.
A Robust Metal‐Organic Framework with Scalable Synthesis and Optimal Adsorption and Desorption for Energy‐Efficient Ethylene Purification
Authors: Yu Cong , Guo Zhengdong , Yang Lifeng , Cui Jiyu , Chen Sen , Bo Yawen , Suo Xian , Gong Qihan , Zhang Shang , Cui Xili , He Shengbao , Xing Huabin 
Published: February 2023

AbstractAdsorptive separation is an energy‐efficient alternative, but its advancement has been hindered by the challenge of industrially potential adsorbents development. Herein, a novel ultra‐microporous metal‐organic framework ZU‐901 is designed that satisfies the basic criteria raised by ethylene/ethane (C2H4/C2H6) pressure swing adsorption (PSA). ZU‐901 exhibits an “S” shaped C2H4 curve with high sorbent selection parameter (65) and could be mildly regenerated. Through green aqueous‐phase synthesis, ZU‐901 is easily scalable with 99 % yield, and it is stable in water, acid, basic solutions and cycling breakthrough experiments. Polymer‐grade C2H4 (99.51 %) could be obtained via a simulating two‐bed PSA process, and the corresponding energy consumption is only 1/10 of that of simulating cryogenic distillation. Our work has demonstrated the great potential of pore engineering in designing porous materials with desired adsorption and desorption behavior to implement an efficient PSA process.
Zn‐Organic Batteries for the Semi‐Hydrogenation of Biomass Aldehyde Derivatives and Concurrently Enhanced Power Output
Authors: Xu Heng , Xu Guanxing , Huang Bingji , Yan Jiabiao , Wang Min , Chen Lisong , Shi Jianlin 
Published: February 2023

AbstractElectricity generation and chemical productions are both critically important for the sustainable development of modern civilization. Here, a novel bifunctional Zn‐organic battery has been established for the concurrent enhanced electricity output and semi‐hydrogenations of a series of biomass aldehyderivatives, for the high value‐added chemical syntheses. Among them, the typical Zn‐furfural (FF) battery equipped with Cu foil‐supported edge‐enriched Cu nanosheets as cathodic electrocatalyst (Cu NS/Cu foil), provides a maximum current density and power density of 14.6 mA cm−2and 2.00 mW cm−2, respectively, and in the meantime, produces high value product, furfural alcohol (FAL). The Cu NS/Cu foil catalyst exhibits excellent electrocatalytic performance of ≈93.5 % conversion ratio and ≈93.1 % selectivity for FF semi‐hydrogenation at a low potential of ‐1.1 V vs. Ag/AgCl by using H2O as H source, and shows impressive performance for various biomass aldehyderivatives semi‐hydrogenation.
Chiral Single‐Molecule Potentiometers Based on Stapled ortho‐ Oligo(phenylene)ethynylenes
Authors: Ortuño Ana M. , Reiné Pablo , Álvarez de Cienfuegos Luis , Márquez Irene R. , Dednam Wynand , Lombardi Enrico B. , Palacios Juan J. , Leary Edmund , Longhi Giovanna , Mujica Vladimiro , Millán Alba , González M. Teresa , Zotti Linda A. , Miguel Delia , Cuerva Juan M. 
Published: February 2023

AbstractWe report on the chemical design of chiral molecular junctions with stress‐dependent conductance, whose helicity is maintained during the stretching of a single molecule junction due to the stapling of both ends of the inner helix. In the reported compounds, different conductive pathways are observed, with clearly different conductance values and plateau‐length distributions, attributed to different conformations of the helical structures. The large chiro‐optical responses and the potential use of these molecules as unimolecular spin filters have been theoretically proved using state‐of‐the‐art Density Functional Theory (DFT) calculations, including a fully ab‐initio estimation of the CISS‐originating spin polarization which is done, for the first time, for a realistic molecular system.
Unbiased Screening of Novel Infrared Nonlinear Optical Materials with High Thermal Conductivity: Long‐neglected Nitrides and Popular Chalcogenides
Authors: Chu Dongdong , Huang Yi , Xie Congwei , Tikhonov Evgenii , Kruglov Ivan , Li Guangmao , Pan Shilie , Yang Zhihua 
Published: February 2023

AbstractTraditional infrared (IR) nonlinear optical (NLO) materials such as AgGaS2 are crucial to key devices for solid‐state lasers, however, low laser damage thresholds intrinsically hinder their practical application. Here, a robust strategy is proposed for unbiased high‐throughput screening of more than 140 000 materials to explore novel IR NLO materials with high thermal conductivity and wide band gap which are crucial to intrinsic laser damage threshold. Via our strategy, 106 compounds with desired band gaps, NLO coefficients and thermal conductivity are screened out, including 8 nitrides, 68 chalcogenides, in which Sr2SnS4 is synthesized to verify the reliability of our process. Remarkably, thermal conductivity of nitrides is much higher than that of chalcogenides, e.g., 5×AgGaS2 (5.13 W/m K) for ZrZnN2, indicating that nitrides could be a long‐neglected system for IR NLO materials. This strategy provides a powerful tool for searching NLO compounds with high thermal conductivity.
Lithium Salt Dissociation Promoted by 18‐Crown‐6 Ether Additive toward Dilute Electrolytes for High Performance Lithium Oxygen Batteries
Authors: Zhang Fengling , Lai Jingning , Hu Zhengqiang , Zhou Anbin , Wang Huirong , Hu Xin , Hou Lijuan , Li Bohua , Sun Wen , Chen Nan , Li Li , Wu Feng , Chen Renjie 
Published: February 2023

AbstractLithium‐oxygen batteries (LOBs) are well known for their high energy density. However, their reversibility and rate performance are challenged due to the sluggish oxygen reduction/evolution reactions (ORR/OER) kinetics, serious side reactions and uncontrollable Li dendrite growth. The electrolyte plays a key role in transport of Li+ and reactive oxygen species in LOBs. Here, we tailored a dilute electrolyte by screening suitable crown ether additives to promote lithium salt dissociation and Li+ solvation through electrostatic interaction. The electrolyte containing 100 mM 18‐crown‐6 ether (100‐18C6) exhibits enhanced electrochemical stability and triggers a solution‐mediated Li2O2 growth pathway in LOBs, showing high discharge capacity of 10 828.8 mAh gcarbon−1. Moreover, optimized electrode/electrolyte interfaces promote ORR/OER kinetics on cathode and achieve dendrite‐free Li anode, which enhances the cycle life. This work casts new lights on the design of low‐cost dilute electrolytes for high performance LOBs.
The role of a standard family of Ic supernovae in BDHN I, BDHN II, and BDHN III GRBs
Authors: Ruffini Remo , Aimuratov Yerlan , Becerra Laura Marcela , Bianco Carlo Luciano , Cherubini Christian , Filippi Simonetta , Li Liang , Moradi Rahim , Rastegarnia Fatemeh , Punsly Brian , Rueda Jorge Armando , Sahakyan Narek , Wang Yu , Xue She Sheng 
Published: February 2023

AbstractA profound difference has occurred in the analysis of Gamma Ray Bursts (GRBs) initially analyzed in the domain of gamma‐ray astronomy with the Compton Gamma Ray Observatory and the BATSE Detector with the extension to x‐ray astronomy and optical astronomy introduced by Beppo‐SAX and the KEK and VLT optical observatory, followed by the AGILE, Fermi mission, Niels Gehrels SWIFT mission as well as HEHSS and MAGIC observations An authentic “Copernican revolution” has occurred in the transition from the traditional model of GRBs originating in a single star progenitor (collapsar) to GRBs with a binary progenitor composed of a CO core and a companion NS. We have evidence from 24 SN observations related to GRBs that all of them, once analyzed with the general relativistic corrections can be identified with I Bc Sn with a common value of the Luminosity and common time of occurrence of the peak of the optical emission. This can be understood in terms of a precursor composed of a CO core and a binary NS companion. By contrast, the GRBs differ profoundly in their energetics which can be expressed in terms of 3 different classes of BDHNe: BDHN I, BDHN II, and BDHN III, also originating from Precursors composed of a CO core and a Binary companion. It is pointed out how the analysis of these systems has profoundly modified the concept of the BH and the associated fundamental physics necessary for their description since the “introducing of the Black Hole” by Ruffini and Wheeler in 1971. At first, it is illustrated how the most radical change has occurred in the introduction of the effective BH charge, with an electric field only function of the BH dimensionless spin and a background magnetic field Bo. This definitely indicates the abandonment of the Kerr‐Newman solution in favor of the Kerr metric, for energy extraction processes in BH physics. We then enter into the detailed description of the “seven Seals,” the seven Episodes characterizing GRB 190114c, and the associated SN 2019jrj.This is based on the article by Aimuratov et al. (in preparation).
Perception of competence achievement and students' satisfaction using virtual laboratories in Medical Biochemistry course: Lessons from the COVID‐19 pandemic
Authors: Ibrahim Gehan H. , Morcos George N. B. , Ghaly Wael Botros AbuAlyamin , Hassan Mohamed Talal , Hussein Usama A. , Nadim Hany S. 
Published: February 2023

AbstractAfter the COVID‐19 pandemic, there was an increasing demand for remote learning and an expansion in the substitution of traditional practical sessions with lab‐based virtual tools. This study aimed to assess the effectiveness of virtual labs in practicing biochemical experiments and to examine the student's feedback regarding this tool. Virtual and traditional labs training were compared in teaching qualitative analysis of proteins and carbohydrates experiments for first‐year medical students. Students' achievements were assessed, and their satisfaction regarding virtual labs was estimated using a questionnaire. A total of 633 students were enrolled in the study. There was a significant increase in the average scores of students performing the virtual lab of protein analysis compared with those trained in a real lab and those who watched videos explaining the experiment (p < 0.001). The opposite was noticed in the qualitative analysis of carbohydrates with significantly high grades of students trained conventionally compared with those who practiced with virtual labs (p < 0.001). Students' feedback rates on the virtual labs were high (>70% satisfaction rate). Most students believed virtual labs were supported with a clear explanation, yet they thought it did not give a realistic experience. Students accepted virtual labs, but they still prefer using them as preparatory to classic labs. In conclusion, virtual labs can offer good laboratory practice in the Medical Biochemistry course. Their impact on students' learning might be increased if selected cautiously and implemented properly in the curriculum.