bluuebunny/crossref_metadata_2025_split huggingface dataset:
TiO2‐Induced Conversion Reaction Eliminating Li2CO3 and Pores/Voids Inside Garnet Electrolyte for Lithium–Metal Batteries
Authors: Luo Piao , Zeng Binwen , Li Wei , Zheng Guangli , Su Kexin , Liang Lecheng , Song Huiyu , Du Li , Cui Zhiming 
Published: June 2023

AbstractGarnet Li7La3Zr2O12 (LLZO) is regarded as a promising solid electrolyte due to its high Li+ conductivity and excellent chemical stability, but suffers from grain boundary resistance and porous structure which restrict its practical applications in lithium–metal batteries. Herein, a novel and highly efficient TiO2‐induced conversion strategy is proposed to generate Li ion‐conductive Li0.5La0.5TiO3, which can simultaneously eliminate the pre‐existing pores/voids and contamination Li2CO3. The Li/LLZTO‐5TiO2/Li symmetric cell exhibits a high critical current density of 1.1 mA cm−2 at 25°C, and the long‐term lithium cycling stability of over 1500 h at 0.1 mA cm−2. More importantly, the excellent performance of LLZTO‐5TiO2 electrolyte is verified by LiCoO2/LiFePO4 coupled full cells. For example, The LiCoO2 coupled full cell exhibits a significant discharge rate capacity of 108 mAh g−1 at 0.1 C, and a discharge capacity retention rate of 91.23% even after 150 cycles of charge and discharge. COMSOL Multiphysics and density functional theory calculation reveal that LLZTO‐5TiO2 electrolyte has a strong lithium affinity and uniform Li ions distribution, which can improve the cycle stability of Li–metal batteries by preventing dendrite growth.
Microfluidic Controllable Preparation of Iodine‐131‐Labeled Microspheres for Radioembolization Therapy of Liver Tumors
Authors: Jiang Qing‐Rong , Pu Xing‐Qun , Deng Chuan‐Fu , Wang Wei , Liu Zhuang , Xie Rui , Pan Da‐Wei , Zhang Wen‐Jie , Ju Xiao‐Jie , Chu Liang‐Yin 
Published: June 2023

AbstractTranscatheter arterial radioembolization (TARE) is of great significance for the treatment of advanced hepatocellular carcinoma (HCC). However, the existing radioembolic microspheres still have problems such as non‐degradability, non‐uniform size, and inability to directly monitor in vivo, which hinders the development of TARE. In this paper, a novel radioembolic agent, 131I‐labeled methacrylated gelatin microspheres (131I‐GMs), is prepared for the treatment of HCC. Water‐in‐oil (W/O) emulsion templates are prepared by a simple one‐step microfluidic method to obtain methacrylated gelatin microspheres (GMs) after UV irradiation. A series of GMs with uniform and controllable size is obtained by adjusting the flow rate of each fluid. Both air‐dried and freeze‐dried GMs can quickly restore their original shape and size, and still have good monodispersity, elasticity, and biocompatibility. The radiolabeling experiments show that 131I can efficiently bind to GMs by chloramine‐T method, and the obtained 131I‐GMs have good radioactive stability in vitro. The results of in vivo TARE treatment in rats show that 131I‐GMs can be well retained in the hepatic artery and have a good inhibitory effect on the progression of liver cancer, showing the potential for the treatment of HCC.
The Importance of Effective Ligand Concentration to Direct Epithelial Cell Polarity in Dynamic Hydrogels
Authors: Rijns Laura , Hagelaars Maria J. , van der Tol Joost J. B. , Loerakker Sandra , Bouten Carlijn V. C. , Dankers Patricia Y. W. 
Published: June 2023

AbstractEpithelial cysts and organoids are multicellular hollow structures formed by correctly polarized epithelial cells. Important in steering these cysts from single cells is the dynamic regulation of extracellular matrix presented ligands, and matrix dynamics. Here, control over the effective ligand concentration is introduced, decoupled from bulk and local mechanical properties, in synthetic dynamic supramolecular hydrogels formed through noncovalent crosslinking of supramolecular fibers. Control over the effective ligand concentration is realized by 1) keeping the ligand concentration constant, but changing the concentration of nonfunctionalized molecules or by 2) varying the ligand concentration, while keeping the concentration of non‐functionalized molecules constant. The results show that in 2D, the effective ligand concentration within the supramolecular fibers rather than gel stiffness (from 0.1 to 8 kPa) regulates epithelial polarity. In 3D, increasing the effective ligand concentration from 0.5 × 10−3 to 2 × 10−3 m strengthens the effect of increased gel stiffness from 0.1 to 2 kPa, to synergistically yield more correctly polarized cysts. Through integrin manipulation, it is shown that epithelial polarity is regulated by tension‐based homeostasis between cells and matrix. The results reveal the effective ligand concentration as influential factor in regulating epithelial polarity and provide insights on engineering of synthetic biomaterials for cell and organoid culture.
Robust Sub‐5 Nanometer bis(Diarylcarbene)‐Based Thin Film for Molecular Electronics and Plasmonics
Authors: Xu Wenrui , Wang Dandan , Guo Qianqian , Zhu Shu , Zhang Lan , Wang Tao , Moloney Mark G. , Du Wei 
Published: June 2023

AbstractIn miniaturized electronic and optoelectronic circuits, molecular tunnel junctions have attracted enormous research interest due to their small footprint, low power consumption, and rich molecular functions. However, the most popular building blocks used in contemporary molecular tunnel junctions are thiol molecules, which attach to electrode surfaces via a metal‐thiolate (MS) bond, showing low stability and usually quick degradation within several days. To pave the way for more widely applicable and stable molecular tunnel junctions, there is a need to develop new molecular anchoring groups. Here, this work demonstrates robust and air‐stable molecular tunnel junctions with a sub‐5 nanometer bis(diarylcarbene)‐based thin film as the tunneling barrier, which anchors to the electrode surface via a AuC bond. The bis(diarylcarbene)‐based molecular tunnel junctions exhibit high thermal stability against heating up to 200 °C and long storage lifetime over 5 months in an ambient environment. Both electrical and optical performance of these bis(diarylcarbene)‐based molecular junctions are characterized systematically, showing similar behaviors to thiol‐based junctions as well as largely improved emission stability. This research highlights the excellent performance of bis(diarylcarbene)‐based molecular tunnel junctions, which could be useful for applications in molecular electronics and plasmonics.
Engineering Functionalized 2D Metal‐Organic Frameworks Nanosheets with Fast Li+ Conduction for Advanced Solid Li Batteries
Authors: Xu Laiqiang , Xiao Xuhuan , Tu Hanyu , Zhu Fangjun , Wang Jing , Liu Huaxin , Huang Weiyuan , Deng Wentao , Hou Hongshuai , Liu Tongchao , Ji Xiaobo , Amine Khalil , Zou Guoqiang 
Published: June 2023

AbstractSolid‐state batteries can ensure high energy density and safety in lithium metal batteries, while polymer electrolytes are plagued by slow ion kinetics and low selective transport of Li+. Metal‐organic frameworks (MOFs) are proposed as emerging fillers for solid‐state poly(ethylene oxide)(PEO) electrolytes, however, developing functionalized MOFs and understanding their roles on ion transfer has proven challenging. Herein, combining computational and experimental results, the functional group regulation in MOFs can effectively change surficial charge distribution and limit anion movement is revealed, providing a potential solution to these issues. Specifically, functionalized 2D MOF sheets are designed through molecular engineering to construct high‐performance composite electrolytes, where the electron‐donating effect of substituents in 2D‐MOFs effectively limits the movement of ClO4− and promotes mechanical properties and ion migration numbers (0.36 up to 0.64) of PEO. As a result, Li/Li cells with composite electrolyte exhibit superior cyclability for 1000 h at a current density of 0.2 mA cm−2. Meanwhile, the solid LiFePO4/Li battery delivers highly reversible capacities of 148.8 mAh g−1 after 200 cycles. These findings highlight a new approach for anion confinement through the use of functional group electronic effects, leading to enhanced ionic conductivity, and a feasible direction for high‐performance solid‐state batteries.
Grignard Reagent‐Mediated Regioselective 1,8‐Addition of α‐(2‐Thienylidene)‐β‐ketosulfones
Authors: Chang Meng‐Yang , Chen Kuan‐Ting , Chen Hsing‐Yin 
Published: June 2023

AbstractGrignard reagent‐mediated and solvent‐controlled regioselective 1,8‐addition of α‐(2‐thienylidene)‐β‐ketosulfones provides diversified substituted 2‐thienylmethyl β‐ketosulfones in moderate yields in a diethyl ether–dioxane cosolvent and dioxane (v/v=4/1) under ice‐bath conditions. The 1,4‐addition of α‐heterocyclic β‐ketosulfones was also studied. The structure of the key product was confirmed via X‐ray analysis. The uses of various reaction solvents and organomagnesium bromides were investigated for transition metal‐free C−H functionalization. Related plausible mechanisms are proposed and discussed. The DFT calculations are utilized to rationalize the regioselectivity of the 1,8‐addition reaction.
Self‐Propelled Nanoswimmers in Biomedical Sensing
Authors: Chen Qianfan , Liang Kang 
Published: June 2023

AbstractMicro/nanomotors are nano‐devices that can convert energy into power to achieve self‐propulsion. Compared to ordinary nanoparticles, the driving force of nanomotors is their unique advantage. This driving force enables the controllable movement with defined direction and speed, allowing these nanoswimmers to perform more complex functions. Biomarkers are important parameters in clinical medicine and are closely related to disease prediction, diagnosis, and condition monitoring. Existing clinical biomarker monitoring and detection methods often require sophisticated equipment and complex operations. The use of micro/nanomotors is expected to greatly simplify these processes with better sensitivity and reliability. This article introduce the major classes of nanoswimmers based on their sources of energy and driving modes, as well as discuss how nanoswimmers can be used as nanosensors for biomarker detection.
Prelithiation: A Critical Strategy Towards Practical Application of High‐Energy‐Density Batteries
Authors: Zhang Hongqiang , Cheng Jun , Liu Hongbin , Li Deping , Zeng Zhen , Li Yuanyuan , Ji Fengjun , Guo Yixuan , Wei Youri , Zhang Shuai , Bai Tiansheng , Xu Xiao , Peng Ruiqin , Lu Jingyu , Ci Lijie 
Published: June 2023

AbstractTo meet the demand for high‐energy‐density batteries, alloy‐type and conversion‐type anode materials have attracted growing attention due to their high specific capacity. However, the huge irreversible lithium loss during initial cycling significantly reduces the energy density of the full cell, which limits their practical applications. Fortunately, various anode prelithiation techniques have been developed to compensate for the initial lithium loss. At the same time, the cathode prelithiation has been proposed and demonstrated remarkable enhancement in the electrochemical performance, along with excellent scalability and compatibility with the existing battery production processes. Here, recent advances are reviewed in the prelithiation of both anodes and cathodes, and the key challenges are discussed in front of their practical applications. It is aimed to provide better recommendations and assistance for its large‐scale practical applications.
Views on the impact of the COVID‐19 pandemic on health in people with Down syndrome from diverse backgrounds
Authors: Santoro Stephanie L. , Baker Sandra , Blake Jasmine M. , Cabrera Maria J. , Caughman Kelli , Chung Jeanhee , Cullen Sarah , Gallagher Maureen , Haugen Kelsey , Hoke‐Chandler Roxanne , Krell Kavita , Maina Julius , McLuckie Diana , Merker Vanessa L. , Michael Carie , O'Neill Kate , Peña Angeles , Pless Albert , Royal Dina , Slape Michelle , Spinazzi Noemi Alice , Torres Amy , Torres Carlos G. , Skotko Brian G. 
Published: June 2023

AbstractDown syndrome (DS) has a unique medical and psychological profile. To date, few studies have asked individuals with DS about their views of health, and fewer have explored the impact of COVID‐19 on the health of individuals with DS and their families. We used a mixed methods approach including two studies on the health of individuals with DS and their parents conducted during the COVID‐19 pandemic: (1) eight virtual focus groups, comprised of 20 parents and 8 individuals with DS to obtain participants' views of health, and (2) a 20‐item questionnaire on health care experience of patients with DS who are African American or come from primarily Spanish‐speaking homes. Focus group transcripts were coded using a hybrid inductive/deductive framework and thematically analyzed using the Framework Method. This questionnaire included questions regarding the impact of COVID‐19 on caregivers and their loved ones with DS; responses to these questions were summarized using descriptive statistics. Individuals with DS discussed the impact of the COVID‐19 pandemic on their physical and social health including masking, online learning, and online communication with friends and family. Parents of individuals with DS discussed how the COVID‐19 pandemic negatively impacted their child's physical, social, and mental health, as a result of virtual schooling and decreased socialization. There were unexpected positives of the pandemic such as improved hygiene and eased scheduling with telehealth visits. Caregivers noted COVID‐19 impacted their own anxiety, employment, and other domains that have potential ripple effects on the health of their children. The COVID‐19 pandemic had a pervasive impact on the mental health and wellness of caregivers as well as the physical, social, and mental health of individuals with DS.
Selective Vinylogous Aldol Reactions of β‐Methyl‐Substituted Cyclic Enones with Isatins Catalyzed by DBU and Pyrrolidine to Afford 3‐Substituted 3‐Hydroxyoxindoles
Authors: Bethi Venkati , Zahra Syeda Bakhtawar , Rupanawar Bapuaro D. , Tanaka Fujie 
Published: June 2023

AbstractThe development of regioselective aldol reactions of β‐methyl‐substituted cyclic enone derivatives with isatins to afford the aldol products with the bond formation at the methyl group of the β‐methyl‐substituted cyclic enone derivatives is described. Catalyst systems composed of DBU and pyrrolidine with DMSO were identified that resulted in the aldol reactions with almost perfect regioselectivities. DBU, pyrrolidine, and DMSO were all required to selectively afford the γ‐position‐reacted aldol products. With the use of this method, the scope of the 3‐substituted 3‐hydroxyoxindole derivatives that can be concisely synthesized was expanded.
Synthetic Modulation of an Unstable Dehydrosecodine‐type Intermediate and Its Encapsulation into a Confined Cavity Enable Its X‐ray Crystallographic Observation
Authors: Tay Gavin , Wayama Toshiaki , Takezawa Hiroki , Yoshida Satoshi , Sato Sota , Fujita Makoto , Oguri Hiroki 
Published: June 2023

AbstractNumerous indole alkaloids such as the iboga‐ and aspidosperma‐type are believed to be biosynthesized via a common hypothetical intermediate, dehydrosecodine. The highly reactive nature of dehydrosecodine‐type compounds has hampered their isolation and structural elucidation. In this study, we achieved the first X‐ray structural determination of a dehydrosecodine‐type compound by integrating synthetic optimization of the reactivity and stabilizing the fragile molecule by encapsulation into a supramolecular host. Formation of a 1 : 1 complex of the dehydrosecodine‐type labile guest bearing both vinyl indole and dihydropyridine units with the host was observed. This integrated approach not only provides insights into the biosynthetic conversions but also allows stabilization and storage of the reactive and otherwise short‐lived intermediate within the confined hydrophobic cavity.
Influence of Oslo crystallizer structure characteristics on crystallization process
Authors: Chen Zhirong , Xiang Yanting , Cai Weiling , Yuan Shenfeng , Yin Hong 
Published: June 2023

AbstractThe liquid–solid multiphase flow in Oslo crystallizer was simulated by computational fluid dynamics (CFD) and described by Euler–Euler model and k‐ε turbulence model. The velocity field and solid phase concentration field in Oslo crystallizer with different structural elements were systematically studied. The results show that, within the range of 0–82.5°, the fluid velocity and axial mixing in the evaporation chamber are significantly affected by the inlet pipe structure, and the length of the central downcomer also has distinct impact on the crystal classification ability of the crystallizer. As the angle between the axis of the inlet pipe and the tangent line at the inlet point increases, the tangential velocity in the evaporation chamber decreases, the axial velocity near the wall increases, and the volume fraction of solid particles decreases. As the length of the central downcomer increases, the position of the vortex center gradually goes up and moves towards the wall. In order to obtain high‐quality products and extend the continuous operation cycle of the device, the angle between the axis of the inlet pipe and the tangent line at the inlet point should be 60–75°, and the distance between the central downcomer and the bottom of the crystallizer should be .8 m.
Pressure dependent analysis in premise plumbing system modeling
Authors: Burkhardt Jonathan B. , Minor John , Shang Feng , Platten William E. 
Published: June 2023

AbstractModeling premise plumbing systems requires accurate treatment of fixture‐specific pressure and flow rate relationships. Each fixture in a building may experience different flow rates based on variable service pressure, its unique pressure‐flow behavior, and demands throughout the building. Unique experimentally derived pressure‐flow parameters for four faucets, a shower/tub fixture, and toilet were developed. The Water Network Tool for Resilience (WNTR) was also used to explore the impact of premise plumbing systems on water distribution systems through two simple skeletonization cases. Minimum pressures for nodes in water distribution system models that represent demand aggregated premise plumbing systems will likely be non‐zero and must capture additional pressure drop or elevation differences at the building scale and associated components, such as water meters or backflow preventers. Results showed that flow rates are impacted by pressure in these systems in complex ways, and usage and system characteristics must be considered to be modeled accurately.
Efficacy of front‐line immunochemotherapy for transplant‐ineligible mantle cell lymphoma: A network meta‐analysis of randomized controlled trials
Authors: Jing Caixia , Zhao Ailin , Wang Jinjin , Niu Ting 
Published: June 2023

AbstractBackgroundThere is no standard first‐line immunochemotherapy regimen for transplant‐ineligible patients with mantle cell lymphoma (MCL) currently, and the efficacy of various treatment remains unclear.MethodsWe conducted a Bayesian network meta‐analysis (NMA) of all eligible randomized controlled trials. Pairwise comparisons and ranking of different first‐line treatment options were performed.ResultsNine studies were included in the NMA, involving a total of 2897 MCL patients. The BR‐Ibrutinib+R regimen showed the best progression‐free survival (PFS), with a surface under the cumulative ranking curve (SUCRA) of 0.89 and probability of being the best treatment (PbBT) of 69%. The VR‐CAP regimen was the most potential intervention to improve overall survival (OS), with a SUCRA of 0.89 and PbBT of 63%. Compared with the R‐CHOP regimen, the BR regimen achieved a better PFS (hazard ratio [HR] 0.45 [95% credible interval 0.2–0.96]). The BR‐Ibrutinib+R regimen (HR 0.14 [0.02–0.99]), BR+R regimen (HR 0.19 [0.034–0.99]), and BR regimen (HR 0.3 [0.08–1.03]) were superior to CHOP regimen with better PFS. The R‐FC regimen (HR 2.27 [1.01–5.21]) or FC regimen (HR 3.17 [1.15–8.71]) was inferior to the VR‐CAP regimen with a worse OS.ConclusionsOur study presents the most promising first‐line treatment strategy for transplant‐ineligible MCL patients in terms of PFS and OS, which provides innovative treatment strategy for MCL treatment.
Hantzsch Ester as Efficient and Economical NAD(P)H Mimic for In Vitro Bioredox Reactions
Authors: Guo Yuan‐Yang , Tian Ze‐Hua , Han Yu‐Chen , Ma Dandan , Shao Tianju , Jiang Zhiyong 
Published: June 2023

AbstractBiocatalysis has emerged as a valuable and reliable tool for industrial and academic societies, particularly in fields related to bioredox reactions. The cost of cofactors, especially those needed to be replenished at stoichiometric amounts or more, is the chief economic concern for bioredox reactions. In this study, a readily accessible, inexpensive, and bench‐stable Hantzsch ester is verified as the viable and efficient NAD(P)H mimic by four enzymatic redox transformations, including two non‐heme diiron N‐oxygenases and two flavin‐dependent reductases. This finding provides the potential to significantly reduce the costs of NAD(P)H‐relying bioredox reactions.
Autofluorescent Artemisinin‐Benzimidazole Hybrids via Organo‐Click Reaction: Study of Antiviral Properties and Mode of Action in Living Cells
Authors: Herrmann Lars , Hahn Friedrich , Grau Benedikt W. , Wild Markus , Niesar Aischa , Wangen Christina , Kataev Evgeny , Marschall Manfred , Tsogoeva Svetlana B. 
Published: June 2023

AbstractDrug modification by a fluorescent label is a common tool for studying its mechanism of action with fluorescence microscopy techniques. However, the attachment of a fluorescent label can significantly alter the polarity, solubility, and biological activity of the investigated drug, and, as a result, the studied mechanism of action can be misrepresented. Therefore, developing efficient drugs, which are inherently fluorescent and can be tracked directly in the cell is highly favorable. Here an easy formation of fluorescent hybrid drugs is presented, generated by a combination of two readily available non‐fluorescent pharmacophores via a non‐cleavable linker using a Ramachary‐Bressy‐Wang organocatalyzed azide‐carbonyl [3+2] cycloaddition (organo‐click) reaction. All newly prepared fluorescent compounds showed strong anti‐HCMV activity (EC50 down to 0.07±0.00 μM), thus presenting a very promising drug developmental basis compared to the approved drug ganciclovir (EC50 2.60±0.50 μM). Remarkably, in vitro fluorescent imaging investigation of new compounds revealed induced changes in mitochondrial structures, which is a phenotypical hallmark of antiviral activity. This approach opens up new vistas for the easy formation of potent fluorescent drugs from readily available non‐fluorescent parent compounds and might facilitate insight into their mode of action in living cells, avoiding the requirement of linkage to external fluorescent markers.
London Dispersion Effects on the Stability of Heavy Tetrel Molecules
Authors: Mears Kristian L. , Power Philip P. 
Published: June 2023

AbstractLondon dispersion (LD) interactions, which stem from long‐range electron correlations arising from instantaneously induced dipoles can occur between neighboring atoms or molecules, for example, between H atoms within ligand C−H groups. These interactions are currently of interest as a new method of stabilizing long bonds and species with unusual oxidation states. They can also limit reactivity by installing LD enhanced groups into organic frameworks or ligand substituents. Here, we address the most recent advances in the design of LD enhanced ligands, the sterically counterintuitive structures that can be generated and the consequences that these interactions can have on the structures and reactivity of sterically crowded heavy group 14 species.