bluuebunny/crossref_metadata_2025_split huggingface dataset:
Untangling Degradation Chemistries of Lithium‐Sulfur Batteries Through Interpretable Hybrid Machine Learning
Authors: Liu Xinyan , Peng Hong‐Jie , Li Bo‐Quan , Chen Xiang , Li Zheng , Huang Jia‐Qi , Zhang Qiang 
Published: October 2022

AbstractThe development of emerging rechargeable batteries is often hindered by limited chemical understanding composing of entangled patterns in an enormous space. Herein, we propose an interpretable hybrid machine learning framework to untangle intractable degradation chemistries of conversion‐type batteries. Rather than being a black box, this framework not only demonstrates an ability to accurately forecast lithium‐sulfur batteries (with a test mean absolute error of 8.9 % for the end‐of‐life prediction) but also generate useful physical understandings that illuminate future battery design and optimization. The framework also enables the discovery of a previously unknown performance indicator, the ratio of electrolyte amount to high‐voltage‐region capacity at the first discharge, for lithium‐sulfur batteries complying practical merits. The present data‐driven approach is readily applicable to other energy storage systems due to its versatility and flexibility in modules and inputs.
Light‐Controlled Destruction and Assembly: Switching between Two Differently Composed Cage‐Type Complexes
Authors: Hugenbusch Daniel , Lehr Marc , von Glasenapp Jan‐Simon , McConnell Anna J. , Herges Rainer 
Published: October 2022

AbstractWe report on two regioisomeric, diazocine ligands 1 and 2 that can both be photoswitched between the E‐ and Z‐configurations with violet and green light. The self‐assembly of the four species (1‐Z, 1‐E, 2‐Z, 2‐E) with CoII ions was investigated upon changing the coordination vectors as a function of the ligand configuration (E vs Z) and regioisomer (1 vs 2). With 1‐Z, Co2(1‐Z)3 was self‐assembled, while a mixture of ill‐defined species (oligomers) was observed with 2‐Z. Upon photoswitching with 385 nm to the E configurations, the opposite was observed with 1‐E forming oligomers and 2‐E forming Co2(2‐E)3. Light‐controlled dis/assembly was demonstrated in a ligand competition experiment with sub‐stoichiometric amounts of CoII ions; alternating irradiation with violet and green light resulted in the reversible transformation between Co2(1‐Z)3 and Co2(2‐E)3 over multiple cycles without significant fatigue by photoswitching.
Intramolecular C−H⋅⋅⋅O Hydrogen‐Bonded Solid Emitter as Colorimetric and Fluorometric Cyanide‐Selective Chemodosimeter
Authors: Padghan Sachin D. , Wang Li‐Ching , Hu Jiun‐Wei , Wang Fang‐Yu , Chen Kew‐Yu 
Published: October 2022

AbstractAn indole‐indanedione‐based small molecule, compound1Me, comprising an intramolecular C−H⋅⋅⋅O hydrogen‐bond (H‐bond) and with an intramolecular charge transfer (ICT) characteristic was prepared for the colorimetric and fluorometric detection of CN−. Compound1Meis virtually nonfluorescent in solution but emits a strong yellow fluorescence in the solid state because of the intramolecular C−H⋅⋅⋅O H‐bond, which inhibits the free rotation of the exocyclic C−C single bond of1Me. The nucleophilic addition of CN−to theβ‐conjugated carbon of the indanedione group of1Me, which breaks the intramolecular C−H⋅⋅⋅O H‐bond and blocks ICT, causes the colorimetric and fluorometric responses of1Meto CN−. Furthermore, inexpensive and portable paper‐based test kits containing1Mecould be used to rapidly and conveniently sense CN−using the naked eye in real time. The results provide a new strategy for designing colorimetric and fluorometric cyanide‐selective sensors based on an intramolecular C−H⋅⋅⋅O hydrogen bonded solid emitter.
Design of Dual‐responsive ROS/RSS Fluorescent Probes and Their Application in Bioimaging
Authors: Huang Pei , Yue Yongkang , Yin Caixia , Huo Fangjun 
Published: October 2022

AbstractIntracellular redox homeostasis exerts a tremendous influence on pathophysiological fields. In order to maintain the homeostasis of intracellular redox state, reactive oxygen species (ROS) and reactive sulfur species (RSS) react and transform with each other, and their levels also directly reflect the degree of oxidative stress and disease. To understand the correlation and pathophysiological effects of these two signaling molecules in oxidative stress, unique fluorescence imaging tools are required. Fluorescent probes have become an indispensable detection tool in modern scientific research and disease diagnosis. Currently, there are many fluorescent probes for detecting ROS or RSS. However, the cellular environment is extremely complex. Dual detection fluorescent probes that can monitor more than one species in a biological environment cause our attention. This review describes dual detection fluorescent probes that can detect ROS and RSS simultaneously or sequentially. This will provide strong support for the study of redox homeostasis.
Rational Design of LLZO/Polymer Solid Electrolytes for Solid‐State Batteries
Authors: Liu Xueping , Xiao Zhe , Peng Huarong , Jiang Dongting , Xie Honggui , Sun Yiling , Zhong Shengkui , Qian Zhengfang , Wang Renheng 
Published: October 2022

AbstractHybrid composite electrolytes incorporate polymer matrixes and garnet filler attract the focus of concern for all‐solid‐state batteries, which possess high ionic conductivity, superior electrochemical stability, and wide electrochemical window of ceramic electrolyte advantages, and exhibit excellent flexibility and tensile shear strength from polymer electrolyte benefits. Hence, the unique structure design of solid‐state electrolytes resolves the existing defects that the use of either single garnet or polymer electrolytes implemented into battery devices. This review summarizes Li7La3Zr2O12 (LLZO)/polymer solid composite electrolytes (SCEs), comprising LLZO/polymer SCEs with various structures and different ratios of LLZO fillers, LLZO/polymer with different kinds of polymers matrix and hybrid lithium‐salt, and Li+ transport pathways within the LLZO/polymers SCEs interface. The purpose here is to propose the viewpoints and challenges of LLZO/polymer SCEs to promote the development of next‐generation solid electrolytes.
Demonstrating the Use of a Fungal Synthesized Quinone in a Redox Flow Battery
Authors: Wilhelmsen Charlotte Overgaard , Kristensen Sebastian Birkedal , Nolte Oliver , Volodin Ivan A. , Christiansen Johan Vormsborg , Isbrandt Thomas , Sørensen Trine , Petersen Celine , Sondergaard Teis Esben , Lehmann Nielsen Kåre , Larsen Thomas Ostenfeld , Frisvad Jens Christian , Hager Martin D. , Schubert Ulrich S. , Muff Jens , Sørensen Jens Laurids 
Published: October 2022

AbstractAqueous organic redox flow batteries (AORFBs) have gained increased interest as a promising solution to store energy from sustainable energy sources. Inspired by naturally occurring bio‐quinones, we here propose a new electrolyte based on the fungal compound phoenicin. Phoenicin was produced using the filamentous fungus Penicillium atrosanguineum at a concentration of 1.24 g L−1 liquid medium and extracted using ethyl acetate to a purity exceeding 95 %. The fungus may provide a benefit of high scalability of the biosynthesis‐based production of the electroactive substance. Here, we demonstrate the performance of biologically produced phoenicin as a negative electrolyte in an RFB against ferro/ferricyanide, as a proof of concept, giving an initial capacity of 11.75 Ah L−1 and a capacity decay of 2.85 % day−1. For a deeper investigation of the battery setup, in situ attenuated total reflection infrared (ATR‐IR) spectra of the phoenicin electrolyte were recorded. Symmetric cell cycling was performed to study the stability of this bio‐based active material.
Value optimisation for the agri‐food sector: A circular economy approach
Authors: Poponi Stefano , Arcese Gabriella , Ruggieri Alessandro , Pacchera Francesco 
Published: October 2022

AbstractAdopting circular economy principles in the agri‐food sector is necessary for the conversion of the current economic system. However, there are still many gaps in understanding how the development of circular dynamics within companies can take shape. This study investigates how circular economy principles and factors contribute to value optimisation and proposes a critical discussion and reflection on the economic, social and environmental issues within the agri‐food sector supply chain. Multiple‐case analysis was conducted to analyse 10 companies. Circular economy principles and factors considered were taken from the BS 8001 standard. Results show two scenarios and three dimensions in which value optimisation takes place. In addition, collaboration is the key to starting a path of optimisation. Finally, the study proposes the evaluation of a new indicator that allows one to act in all different scenarios proposed.
The long‐term survival of esophageal cancer in elderly patients: A multi‐center, retrospective study from China
Authors: Li Runhua , He Yutong , Sun Xibin , Wang Ning , Zhang Min , Wei Kuangrong , Li Huizhang , Dong Peng , Du Lingbin , Chen Wanqing 
Published: October 2022

AbstractBackgroundEsophageal cancer (EC) often occurs in the elderly, and approximately 40% of patients are 70 years or older. To investigate the long‐term survival of EC in elderly patients, to provide a theoretical direction for better management and predicting survival of EC based on the hospital‐based multi‐center study in China.MethodsThe study was conducted in 18 hospitals including 6 provincial hospitals, 8 municipal hospitals, and 4 county hospitals. We extracted information from medical record homepage, records of admission and discharge, and pathological diagnosis reports from the medical record department of the elderly patients at 70–84 years old to obtain the 3‐year and 5‐year overall survival (OS), and main associated factors, and to analyze the current therapeutic effect of different treatment options for elderly patients.ResultsThe 3‐year and 5‐year OS rate of the 1013 elderly patients was 44.8% and 32.8%, respectively. Their median survival was 28.00 months. The median survival of patients with squamous cell carcinoma was longer than that of other pathological type (squamous vs. other types: 31.00 vs. 20.00 months, p = 0.018). The median survival of patients with surgery only or combined therapy was longer than that of radiotherapy, chemotherapy, and no therapy (surgery only vs. combined therapy vs. radiotherapy vs. chemotherapy vs. no therapy: 56.00 vs. 33.00 vs. 26.00 vs.18.00 vs. 16.00 months, p < 0.001). The 5‐year OS rate of patients with highly differentiated cancer was higher than that of medium differentiated and poor differentiation/undifferentiated. In multivariate analysis, the older ages, pathological stage, were independent prognostic risk factors for poor EC survival. Treatment method was independent protective factors predictive of a good EC OS.ConclusionsThe survival rate of the elderly EC patients was still low in China. Age, therapy method, and pathological stage were mainly associated with the survival rate of EC in elderly patients.
Salidroside in the Treatment of NAFLD/NASH
Authors: Qu Baozhen , Liu Xuemao , Liang Yanjiao , Zheng Keke , Zhang Chunling , Lu Linlin 
Published: October 2022

AbstractNon‐alcoholic fatty liver disease (NAFLD) is the commonest reason for chronic liver diseases in the world and is commonly related to the hepatic manifestation of the metabolic syndrome. Non‐alcoholic steatohepatitis (NASH) is a deteriorating form of NAFLD, which can eventually develop into fibrosis, cirrhosis, and liver cancer. The reason for NAFLD/NASH development is complicated, such as liver lipid metabolism, oxidative stress, inflammatory response, apoptosis and autophagy, liver fibrosis and gut microbiota. Apart from bariatric surgery and lifestyle changes, officially approved drug therapy for NAFLD/NASH treatment is lacking. Salidroside (SDS) is a phenolic compound extensively distributed in the tubers of Rhodiola plants, which possesses many significant biological activities. This review summarized the related targets regulated by SDS in treating NAFLD/NASH. It is indicated that SDS could improve the status of NAFLD/NASH by ameliorating abnormal lipid metabolism, inhibiting oxidative stress, regulating apoptosis and autophagy, reducing inflammatory response, alleviating fibrosis and regulating gut microbiota. In conclusion, although the multiple bioactivities of SDS have been confirmed, the clinical data are inadequate and need to become the focus of attention in the later study.
Room‐Temperature Solid‐State Transformation of Na4SnS4 ⋅ 14H2O into Na4Sn2S6 ⋅ 5H2O: An Unusual Epitaxial Reaction Including Bond Formation, Mass Transport, and Ionic Conductivity
Authors: Benkada Assma , Hartmann Felix , A. Engesser Tobias , Indris Sylvio , Zinkevich Tatiana , Näther Christian , Lühmann Henning , Reinsch Helge , Adams Stefan , Bensch Wolfgang 
Published: October 2022

AbstractA highly unusual solid‐state epitaxy‐induced phase transformation of Na4SnS4 ⋅ 14H2O (I) into Na4Sn2S6 ⋅ 5H2O (II) occurs at room temperature. Ab initio molecular dynamics (AIMD) simulations indicate an internal acid‐base reaction to form [SnS3SH]3−which condensates to [Sn2S6]4−. The reaction involves a complex sequence of O−H bond cleavage, S2−protonation, Sn−S bond formation and diffusion of various species while preserving the crystal morphology. In situ Raman and IR spectroscopy evidence the formation of [Sn2S6]4−. DFT calculations allowed assignment of all bands appearing during the transformation. X‐ray diffraction and in situ1H NMR demonstrate a transformation within several days and yield a reaction turnover of ≈0.38 %/h. AIMD and experimental ionic conductivity data closely follow a Vogel‐Fulcher‐Tammann typeTdependence withD(Na)=6×10−14 m2 s−1atT=300 K with values increasing by three orders of magnitude from −20 to +25 °C.
Recent Progress in Rechargeable Sodium Metal Batteries: A Review
Authors: Wang Shiyang , Peng Bo , Lu Jian , Jie Yulin , Li Xinpeng , Pan Yuxue , Han Yehu , Cao Ruiguo , Xu Dongsheng , Jiao Shuhong 
Published: October 2022

AbstractSodium metal batteries (SMBs) have been widely studied owing to their relatively high energy density and abundant resources. However, they still need systematic improvement to fulfill the harsh operating conditions for their commercialization. In this review, we summarize the recent progress in SMBs in terms of sodium anode modification, electrolyte exploration, and cathode design. Firstly, we give an overview of the current challenges facing Na metal anodes and the corresponding solutions. Then, the traditional liquid electrolytes and the prospective solid electrolytes for SMBs are summarized. In addition, insertion‐ and conversion‐type cathode materials are introduced. Finally, an outlook for the future of practical SMBs is provided.
Photoinduced Nickel‐Catalyzed Carbon–Heteroatom Coupling**
Authors: Luo Hang , Wang Guohua , Feng Yunhui , Zheng Wanyao , Kong Lingya , Ma Yunpeng , Matsunaga Shigeki , Lin Luqing 
Published: October 2022

AbstractHerein, we report visible light‐promoted single nickel catalysis for diverse carbon–heteroatom couplings under mild conditions. This mild, general, and robust method to couple diverse nitrogen, oxygen, and sulfur nucleophiles with aryl(heteroaryl)/alkenyl iodides/bromides exhibits a wide functional group tolerance and is applicable to late‐stage modification of pharmaceuticals and natural products. On the base of preliminary mechanistic studies, a NiI/NiIII cycle via the generation of active NiI complexes that appear from homolysis of NiII−I rather than NiII−aryl bond was tentatively proposed.
Next Generation Copper Mediators for the Efficient Production of 18F‐Labeled Aromatics
Authors: Hoffmann Chris , Kolks Niklas , Smets Daniel , Haseloer Alexander , Gröner Benedikt , Urusova Elizaveta A. , Endepols Heike , Neumaier Felix , Ruschewitz Uwe , Klein Axel , Neumaier Bernd , Zlatopolskiy Boris D. 
Published: October 2022

AbstractCu‐mediated radiofluorination is a versatile tool for the preparation of 18F‐labeled (hetero)aromatics. In this work, we systematically evaluated a series of complexes and identified several generally applicable mediators for highly efficient radiofluorination of aryl boronic and stannyl substrates. Utilization of these mediators in nBuOH/DMI or DMI significantly improved 18F‐labeling yields despite use of lower precursor amounts. Impressively, application of 2.5 μmol aryl boronic acids was sufficient to achieve 18F‐labeling yields of up to 75 %. The practicality of the novel mediators was demonstrated by efficient production of five PET‐tracers and transfer of the method to an automated radiosynthesis module. In addition, (S)‐3‐[18F]FPhe and 6‐[18F]FDOPA were prepared in activity yields of 23±1 % and 30±3 % using only 2.5 μmol of the corresponding boronic acid or trimethylstannyl precursor.
Recognition‐Induced Enhanced Emission of Core‐Fluorescent ESIPT‐type Macrocycles
Authors: Jurek Paulina , Jędrzejewska Hanna , Rode Michał F. , Szumna Agnieszka 
Published: October 2022

AbstractCore‐fluorescent cavitands based on 2‐(2′‐resorcinol)benzimidazole fluorophores (RBIs) merged with the resorcin[4]arene skeleton were designed and synthesized. The cavitands, due to the presence of intramolecular hydrogen bonds and increased acidity, show excited state intramolecular proton transfer (ESIPT) and readily undergo deprotonation to form dianionic cavitands, capable of strong binding to organic cations. The changes in fluorescence are induced by deprotonation and binding events and involve huge Stokes shifts (due to emission from anionic double keto tautomers) and cation‐selective enhancement of emission originating from the restriction of intramolecular motion (RIR) upon recognition in the cavity. Ab initio calculations indicate that the macrocyclic scaffold stabilizes the ground state tautomeric forms of the fluorophores that are not observed for non‐macrocyclic analogs. In the excited state, the emitting forms for both macrocyclic scaffolds and non‐macrocyclic analogs are anionic double keto tautomers, which are the result of excited state intramolecular proton transfer (ESIPT) or excited state double proton transfer (ESDPT).
Roles of interface engineering in performance optimization of skutterudite‐based thermoelectric materials
Authors: Qin Dandan , Shi Wenjing , Lu Yunzhuo , Cai Wei , Liu Zihang , Sui Jiehe 
Published: October 2022

AbstractInterface engineering has prevailed in the thermoelectric field for decades, and related performance has achieved great progress. Therefore, an in‐depth understanding of the impacts of the interface effect on the thermoelectric transport parameters is of vital importance. In this paper, taking skutterudite‐based thermoelectric materials as typical examples, the formation mechanism and preparation process of various interface types, including 1D dislocations, 2D grain refinement, 3D nanocomposites, and micro‐nanopores, are briefly summarized. In addition, we also systemically highlight recently striking achievements related to interfacial design to reveal the distinctive effect of each interface structure on the transport behavior of carriers and phonons. Finally, existing challenges in the thermoelectric performance optimization achieved by interface engineering are pointed out, and an outlook for further thermoelectric research is presented.
Organic Supercapacitors as the Next Generation Energy Storage Device: Emergence, Opportunity, and Challenges
Authors: Biswas Sudipta , Chowdhury Ananya 
Published: October 2022

AbstractHarnessing new materials for developing high‐energy storage devices set off research in the field of organic supercapacitors. Various attractive properties like high energy density, lower device weight, excellent cycling stability, and impressive pseudocapacitive nature make organic supercapacitors suitable candidates for high‐end storage device applications. This review highlights the overall progress and future of organic supercapacitors. Sustainable energy production and storage depend on low cost, large supercapacitor packs with high energy density. Organic supercapacitors with high pseudocapacitance, lightweight form factor, and higher device potential are alternatives to other energy storage devices. There are many recent ongoing research works that focus on organic electrolytes along with the material aspect of organic supercapacitors. This review summarizes the current research status and the chemistry behind the storage mechanism in organic supercapacitors to overcome the challenges and achieve superior performance for future opportunities.
Phenotypic Characterization and Isolation of Myeloid‐Derived Suppressor Cells
Authors: Reuven Or , Mikula Ivan , Ashkenazi‐Preiser Hadas , Twaik Nira , Ben‐Meir Kerem , Meirow Yaron , Daniel Leonor , Kariv Guy , Kurd Mahdi , Baniyash Michal 
Published: October 2022

AbstractMyeloid‐derived suppressor cells (MDSCs) are heterogenous populations of immature myeloid cells that can be divided into two main subpopulations, polymorphonuclear (PMN) MDSCs and monocytic (M) MDSCs. These cells accumulate during chronic inflammation and induce immunosuppression evident in an array of pathologies such as cancer, inflammatory bowel disease, and infectious and autoimmune diseases. Herein, we describe methods to isolate and characterize MDSCs from various murine tissue, as well as to phenotype blood‐derived MDSCs from patients. The protocols describe methods for isolation of total MDSCs and their subpopulations, for characterization, and for evaluation of their distribution within tissue, as well as for assessing their maturation stage by flow cytometry, immunofluorescence analyses, and Giemsa staining. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Single‐cell suspension generation from different tissueAlternate Protocol 1: Single‐cell suspension generation from subcutaneous melanoma tumorsBasic Protocol 2: Characterization of MDSC phenotypeBasic Protocol 3: Cell separation using magnetic beads: Separating pan‐MDSCs or PMN‐MDSC and M‐MDSC subpopulationsAlternate Protocol 2: Staining and preparing MDSCs for sortingSupport Protocol: PMN‐MDSC and M‐MDSC gating strategy in mouseBasic Protocol 4: Immunofluorescence analysis of MDSCsBasic Protocol 5: Handling human blood samples and characterizing human MDSCsAlternate Protocol 3: Flow cytometry staining of thawed human whole blood samples
Real time online efficiency optimization of buck converter against variable voltage and load change
Authors: Chen Zhangyong , Tang Xuan , Wu Yunfeng , Xiang Tianyu , Zheng Zhanchao 
Published: October 2022

AbstractIn order to address the issue of keeping the converter operating at a high efficiency level under different conditions, this paper suggests an adaptive step frequency adjustment online optimization search algorithm, which achieves the goal of fast adjustment and real‐time response to parameter changes. The converter is quickly adjusted to operate at a high efficiency by sampling the input and output current values and modulating the switching frequency utilizing the algorithm. Additionally, the algorithm shifts between two working models to finish the search for the best switching frequency while the converter's characteristics do not change. Moreover, it accomplishes the objective of instantly resynchronizing the algorithm after a change in the converter's parameters and starting a search for the best switching frequency in the new converter state. For various input voltages and output loads, the operating principle, optimal frequency, and efficiency are given. In addition, the principle analysis when the converter parameters are changed is provided, and the choice of two algorithm models is compared. Finally, a prototype buck converter with adjustable input voltage and load is constructed to test the algorithm's efficiency.