bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermally Activated Aromatic Ionic Dopants (TA‐AIDs) Enabling Stable Doping, Orthogonal Processing and Direct Patterning
Authors: Ke Zhifan , Ahmed Mustafa H. , Abtahi Ashkan , Hsu Shih‐Hsin , Wu Wenting , Espenship Michael F. , Baustert Kyle N. , Graham Kenneth R. , Laskin Julia , Pan Liang , Mei Jianguo 
Published: December 2022

AbstractDoping plays a critical role in organic electronics, and dopant design has been central in the development of functional and stable doping. In this study, there is departure from conventional molecular dopants and a new class of dopants are reported – aromatic ionic dopants (AIDs). AIDs consist of a pair of aromatic cation and anion that are responsible for molecular doping reaction and charge balancing separately. It is shown that the first AID made from cycloheptatrienyl (tropylium) cation and pentacyanocyclopentadienide anion (PCCp), abbreviated as T‐PCCp, can function as an effectivep‐type dopant to dope polydioxythiophenes. Here, tropylium cation induces the doping reaction while the PCCp anion stabilizes the generated polarons and bipolarons. With T‐PCCp, a highly doped (≈120 S/cm) and stable system is achieved up to 150 °C, an orthogonal (sequential)solution processing resulting from the immiscibility of the dopant and the polymer host, and a high‐resolution direct micropatterning with laser writing resulted from a thermally activated doping process.
Modulations in Superconductors: Probes of Underlying Physics
Authors: Guo Yehao , Qiu Dong , Shao Mingxin , Song Jingyan , Wang Yang , Xu Minyi , Yang Chao , Li Peng , Liu Haiwen , Xiong Jie 
Published: December 2022

AbstractThe importance of modulations is elevated to an unprecedented level, due to the delicate conditions required to bring out exotic phenomena in quantum materials, such as topological materials, magnetic materials, and superconductors. Recently, state‐of‐the‐art modulation techniques in material science, such as electric‐double‐layer transistor, piezoelectric‐based strain apparatus, angle twisting, and nanofabrication, have been utilized in superconductors. They not only efficiently increase the tuning capability to the broader ranges but also extend the tuning dimensionality to unprecedented degrees of freedom, including quantum fluctuations of competing phases, electronic correlation, and phase coherence essential to global superconductivity. Here, for a comprehensive review, these techniques together with the established modulation methods, such as elemental substitution, annealing, and polarization‐induced gating, are contextualized. Depending on the mechanism of each method, the modulations are categorized into stoichiometric manipulation, electrostatic gating, mechanical modulation, and geometrical design. Their recent advances are highlighted by applications in newly discovered superconductors, e.g., nickelates, Kagome metals, and magic‐angle graphene. Overall, the review is to provide systematic modulations in emergent superconductors and serve as the coordinate for future investigations, which can stimulate researchers in superconductivity and other fields to perform various modulations toward a thorough understanding of quantum materials.
Unraveling Polysulfide's Adsorption and Electrocatalytic Conversion on Metal Oxides for Li‐S Batteries
Authors: Deng Shungui , Guo Tiezhu , Heier Jakob , Zhang Chuanfang (John) 
Published: December 2022

AbstractLithium sulfur (LiS) batteries possess high theoretical capacity and energy density, holding great promise for next generation electronics and electrical vehicles. However, the LiS batteries development is hindered by the shuttle effect and sluggish conversion kinetics of lithium polysulfides (LiPSs). Designing highly polar materials such as metal oxides (MOs) with moderate adsorption and effective catalytic activity is essential to overcome the above issues. To design efficient MOs catalysts, it is critical and necessary to understand the adsorption mechanism and associated catalytic processes of LiPSs. However, most reviews still lack a comprehensive investigation of the basic mechanism and always ignore their in‐depth relationship. In this review, a systematic analysis toward understanding the underlying adsorption and catalytic mechanism in LiS chemistry as well as discussion of the typical works concerning MOs electrocatalysts are provided. Moreover, to improve the sluggish “adsorption‐diffusion‐conversion” process caused by the low conductive nature of MOs, oxygen vacancies and heterostructure engineering are elucidated as the two most effective strategies. The challenges and prospects of MOs electrocatalysts are also provided in the last section. The authors hope this review will provide instructive guidance to design effective catalyst materials and explore practical possibilities for the commercialization of LiS batteries.
Prodrug Integrated Envelope on Probiotics to Enhance Target Therapy for Ulcerative Colitis
Authors: Zhang Kun , Zhu Li , Zhong Yuan , Xu Lixin , Lang Chunhui , Chen Jian , Yan Fei , Li Jiawei , Qiu Juhui , Chen Yidan , Sun Da , Wang Guixue , Qu Kai , Qin Xian , Wu Wei 
Published: December 2022

AbstractUlcerative colitis (UC), affecting millions of patients worldwide, is associated with disorders of the gut microbiota. Probiotics‐based therapy positively regulating the community structure of gut microbiota is regarded as an efficient intervention for UC. However, oral probiotics delivery is restricted by limited bioactivity, short retention time, complex pathological condition, and single therapeutic efficacy. Here, a bioengineered probiotic decorated with a multifunctional prodrug coating is constructed to ameliorate the aforementioned shortcomings. The results of UC mice induced by dextran sulfate sodium demonstrate that the intrinsic features of the fabricated coating integrate gut microbes protection, colon‐targeted drug release, prolonged drug retention, and inflammation regulation. In parallel, the probiotics Lactobacillus rhamnosus GG (LGG) could regulate the composition of the gut microbiota and improve epithelial barrier function, thereby synergistically ameliorating UC. These results provide ample shreds of evidence of the therapeutic effect on UC, therefore, demonstrate a great promise as the potential therapeutic strategy for UC treatment.
A Transient Printed Soil Decomposition Sensor Based on a Biopolymer Composite Conductor
Authors: Atreya Madhur , Desousa Stacie , Kauzya John‐Baptist , Williams Evan , Hayes Austin , Dikshit Karan , Nielson Jenna , Palmgren Abigail , Khorchidian Sara , Liu Shangshi , Gopalakrishnan Anupam , Bihar Eloise , Bruns Carson J. , Bardgett Richard , Quinton John N. , Davies Jessica , Neff Jason C. , Whiting Gregory L. 
Published: December 2022

AbstractSoil health is one of the key factors in determining the sustainability of global agricultural systems and the stability of natural ecosystems. Microbial decomposition activity plays an important role in soil health; and gaining spatiotemporal insights into this attribute is critical for understanding soil function as well as for managing soils to ensure agricultural supply, stem biodiversity loss, and mitigate climate change. Here, a novel in situ electronic soil decomposition sensor that relies on the degradation of a printed conductive composite trace utilizing the biopolymer poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate) as a binder is presented. This material responds selectively to microbially active environments with a continuously varying resistive signal that can be readily instrumented with low‐cost electronics to enable wide spatial distribution. In soil, a correlation between sensor response and intensity of microbial decomposition activity is observed and quantified by comparison with respiration rates over 14 days, showing that devices respond predictably to both static conditions and perturbations in general decomposition activity.
Stimuli‐Responsive Sponge for Imaging and Measuring Weak Compression Stresses
Authors: Ono Nahoko , Seishima Ryo , Okabayashi Koji , Imai Hiroaki , Fujii Syuji , Oaki Yuya 
Published: December 2022

AbstractImaging and measuring compression stresses secure a safe and healthy life. Compression stresses in kPa range are not easily detected by conventional mechanoresponsive materials because microscopic molecular motion of the chromophores is not induced by such weak stresses. Moreover, imaging of the stress distribution is not achieved so far. The present study shows a sponge device combining two stimuli‐responsive materials, a capsule releasing interior liquid and color‐changing polymer in responses to compression stress and chemical stimulus, respectively. The stimuli‐responsive capsule is dispersed on a melamine sponge comprised of the fibers with coating the layered polydiacetylene (PDA). The application of weak compression stresses induces collapse of the capsules, outflow of the interior liquid, and subsequent irreversible color change of PDA. The cascading response in the sponge device colorimetrically enables imaging of the distribution and measuring the strength of the compression stresses in kPa range. Furthermore, the device demonstrates imaging and measuring unknown weak compression stresses applied by the irregular‐shaped objects. A couple of clinical issues in surgical operation of intestine are studied using the stress‐imaging sponge device. The device and its design strategy can be applied to stress imaging in a variety of fields.
Recent Advances in Conduction Mechanisms, Synthesis Methods, and Improvement Strategies for Li1+xAlxTi2−x(PO4)3 Solid Electrolyte for All‐Solid‐State Lithium Batteries
Authors: Wu Pengfei , Zhou Weiwei , Su Xin , Li Jianyu , Su Min , Zhou Xiaochong , Sheldon Brian W. , Lu Wenquan 
Published: December 2022

AbstractWith the increasing use of Li batteries for storage, their safety issues and energy densities are attracting considerable attention. Recently, replacing liquid organic electrolytes with solid‐state electrolytes (SSE) has been hailed as the key to developing safe and high‐energy‐density Li batteries. In particular, Li1+xAlxTi2−x(PO4)3 (LATP) has been identified as a very attractive SSE for Li batteries due to its excellent electrochemical stability, low production costs, and good chemical compatibility. However, interfacial reactions with electrodes and poor thermal stability at high temperatures severely restrict the practical use of LATP in solid‐state batteries (SSB). Herein, a systematic review of recent advances in LATP for SSBs is provided. This review starts with a brief introduction to the development history of LATP and then summarizes its structure, ion transport mechanism, and synthesis methods. Challenges (e.g., intrinsic brittleness, interfacial resistance, and compatibility) and corresponding solutions (ionic substitution, additives, protective layers, composite electrolytes, etc.) that are critical for practical applications are then discussed. Last, an outlook on the future research direction of LATP‐based SSB is provided.
2‐Arylbenzyl Methyl Ethers as Precursors for the Tandem Synthesis of Benzo[c]coumarins Over Heterogeneous Visible‐Light Photoredox Catalysis with Graphitic Carbon Nitride (g‐C3N4)
Authors: Natarajan Palani , Pooja  , Meena  
Published: December 2022

AbstractUtilizing readily accessible 2‐arylbenzyl methyl ethers as precursors, an unprecedented three reactions in one‐pot protocol for the synthesis of benzo[c]coumarins over heterogeneous visible‐light photoredox catalysis with graphitic carbon nitride (g‐C3N4) has been developed. Also, a possible reaction mechanism has been explored. Upon irradiation, g‐C3N4 converts molecular oxygen into superoxide radical anion, which facilitates the benzylic oxidation of 2‐arylbenzyl methyl ethers into methyl [1,1′‐biaryl]‐2‐carboxylate. The required benzo[c]coumarins are then produced through the hydrolysis and dehydrogenative lactonization of methyl [1,1′‐biaryl]‐2‐carboxylate. The main attributes of this transformation include mildness, convenience in catalyst recovery and reuse, compatibility with lithium persulfate produced from the spent lithium‐ion batteries, works in aqueous medium, and is a multiple C−H functionalization processes happen via three reactions (oxidation, hydrolysis and dehydrogenative lactonization) in one‐pot at ambient conditions.
Fully Delocalized Mixed‐Valent Cu1.5Cu1.5 Complex: Strong Cu‐Cu interaction and Fast Electron Self‐Exchange Rate Despite Large Structural Changes**
Authors: Liu Yang , Resch Stefan G. , Chen Haowei , Dechert Sebastian , Demeshko Serhiy , Bill Eckhard , Ye Shengfa , Meyer Franc 
Published: December 2022

AbstractA flexible macrocyclic ligand with two tridentate {CNC} compartments can host two Cu ions in reversibly interconvertible states, CuICuI (1) and mixed‐valent Cu1.5Cu1.5 (2). They were characterized by XRD and multiple spectroscopic methods, including EPR, UV/Vis absorption and MCD, in combination with TD‐DFT and CASSCF calculations. 2 features a short Cu⋅⋅⋅Cu distance (≈2.5 Å; compared to ≈4.0 Å in 1) and a very high delocalization energy of 13 000 cm−1, comparable to the mixed‐valent state of the biological CuA site. Electron self‐exchange between 1 and 2 is rapid despite large structural reorganization, and is proposed to proceed via a sequential mechanism involving an active conformer of 1, viz. 1′; the latter has been characterized by XRD. Such electron transfer (ET) process is reminiscent of the conformationally gated ET proposed for biological systems. This redox couple is a unique pair of flexible dicopper complexes, achieving fast electron self‐exchange closely related to the function of the CuA site.
Probing the Nature of Zinc in Copper‐Zinc‐Zirconium Catalysts by Operando Spectroscopies for CO2 Hydrogenation to Methanol
Authors: Yang Meng , Yu Jiafeng , Zimina Anna , Sarma Bidyut Bikash , Pandit Lakshmi , Grunwaldt Jan‐Dierk , Zhang Ling , Xu Hengyong , Sun Jian 
Published: December 2022

AbstractActive Zn species in Cu‐based methanol synthesis catalysts have not been clearly identified yet due to their complex nature and dynamic structural changes during reactions. Herein, atomically dispersed Zn on ZrO2 support is established in Cu‐based catalysts by separating Zn and Zr components from Cu (Cu−ZnZr) via the double‐nozzle flame spray pyrolysis (DFSP) method. It exhibits superiority in methanol selectivity and yield compared to those with Cu−ZnO interface and isolated ZnO nanoparticles. Operando X‐ray absorption spectroscopy (XAS) reveals that the atomically dispersed Zn species are induced during the reaction due to the strengthened Zn−Zr interaction. They can suppress formate decomposition to CO and decrease the H2 dissociation energy, shifting the reaction to methanol production. This work enlightens the rational design of unique Zn species by regulating coordination environments and offers a new perspective for exploring complex interactions in multi‐component catalysts.
Copper‐Catalyzed Highly Enantioselective Addition of a Silicon Nucleophile to 3‐Substituted 2H‐Azirines Using an Si−B Reagent
Authors: Zhao Zhi‐Yuan , Cui Ming , Irran Elisabeth , Oestreich Martin 
Published: December 2022

Abstract3‐Substituted 2H‐azirines can be considered strained cyclic ketimines, and highly enantioselective addition reactions of silicon nucleophiles to either acyclic or cyclic ketimines have been elusive so far. The present work closes this gap for those azirines by means of a copper‐catalyzed silylation using a silyl boronic ester as a latent silicon nucleophile. The resulting C‐silylated, unprotected (N−H) aziridines are obtained in high yields and with excellent enantioselectivities and can be further converted into valuable compounds with hardly any erosion of the enantiomeric excess.
Designing a colorimetric nanosensor based on dithizone and cholesteric liquid crystals loaded in electrospun cellulose acetate nanofibers: Monitoring the quality of pistachio as a case study
Authors: Ghorani Behrouz , Emadzadeh Bahareh , Fooladi Ebrahim , Tucker Nick 
Published: December 2022

AbstractWe describe colorimetric electrospun nanosensors designed to work at temperatures of 35–36°C. The mode of operations is based on a combination of the ability of dithizone to exhibit appropriate color and cholesteric liquid crystals presenting a wide range of melting points at various mixing ratios. To this end, different levels of dithizone (IUPAC name 1‐anilino‐3‐phenyliminothiourea), different ratios of cholesteric liquid crystals to cellulose acetate and cholesteryl oleyl carbonate to cholesteryl nanoate were defined as independent variables and the total color difference was considered as the response in the response surface methodology approach. The results showed that the range of color palette changes of the designed samples was diverse and could be applied to different products. As a case study, the applicability of the sensor was evaluated on the 4‐month shelf life of pistachio nuts at 35°C whilst the spoilage criteria were reconciled with the color changes in the designed sensor.
Topical application of gemcitabine generates microvesicle particles in human and murine skin
Authors: Thyagarajan Anita , Awasthi Krishna , Rapp Christine M. , Johnson R. Michael , Chen Yanfang , Miller Kelly L. R. , Travers Jeffrey B. , Sahu Ravi P. 
Published: December 2022

AbstractChemotherapy has remained the mainstay for the treatment of multiple types of cancers. In particular, topical use of chemotherapy has been used for skin cancers. Though effective, topical chemotherapy has been limited due to adverse effects such as local and even systemic toxicities. Our recent studies demonstrated that exposure to pro‐oxidative stressors, including therapeutic agents induces the generation of extracellular vesicles known as microvesicle particles (MVP) which are dependent on activation of the Platelet‐activating factor‐receptor (PAFR), a G‐protein coupled receptor present on various cell types, and acid sphingomyelinase (aSMase), an enzyme required for MVP biogenesis. Based upon this premise, we tested the hypothesis that topical application of gemcitabine will induce MVP generation in human and murine skin. Our ex vivo studies using human skin explants demonstrate that gemcitabine treatment results in MVP generation in a dose‐dependent manner in a process blocked by PAFR antagonist and aSMase inhibitor. Importantly, gemcitabine‐induced MVPs carry PAFR agonists. To confirm the mechanisms, we employed PAFR‐expressing and deficient (Ptafr−/−) mouse models as well as mice deficient in aSMase enzyme (Spmd1−/−). Similar to the findings using pharmacologic tools, genetic‐based approaches demonstrate that gemcitabine‐induced MVP release in WT mice was blunted in Ptafr−/− and Spmd1−/− mice. These findings demonstrate a novel mechanism by which local chemotherapy can generate bioactive components as a bystander effect in a process that is dependent upon the PAFR‐aSMase pathway.
Automation in the simulation of processes with Aspen HYSYS: An academic approach
Authors: Valverde Jose L. , Ferro Victor R. , Giroir‐Fendler Anne 
Published: December 2022

AbstractAspen HYSYS is a typical tool used in some Master in Chemical Engineering courses at the University of Castilla‐La Mancha like “Analysis and Optimization of Chemical Processes” and “Dynamic of Process: Regulation of Chemical Plants.” Automation is the process of linking commercial software to third‐parties applications built in EXCEL‐Visual Basic for Applications. The capability of automation as a powerful tool for simulating unprecedented complex processes suggests that it could be a relevant background complement to the classical one offered by a university. In this sense, a seminar about automation based on the study of two cases: a refrigeration process and a production one taken from literature, has been proposed at the University of Castilla‐La Mancha. The analysis of the survey performed for the subject evaluation resulted to be very positive. Students consider the methodology of the course and the potentiality of automation for developing their research and professional skills appropriately. However, more examples are required to better understand the automation concept and its potential application to other situations. Finally, they declare that the concept of automation requires a lot of expertise and deep knowledge of programming and the correct application of numerical methods for solving complex problems.
Base‐Stabilized Neutral Oxoborane and Thioxoborane Supported by a Bis(oxazolinyl)(phenyl)methanide Ligand
Authors: Nakano Ryo , Yamanashi Ryotaro , Yamashita Makoto 
Published: December 2022

AbstractBase‐stabilized neutral oxoborane and thioxoborane supported by a bis(oxazolinyl)(phenyl)methanide ligand have been synthesized and structurally characterized. While previous synthetic attempts of oxoborane ligated by β‐diketiminate (NacNac) did not allow for its isolation in acid‐free form, oxoborane supported by a bis(oxazolinyl)(phenyl)methanide ligand is isolable, due to the absence of imine ɑ‐protons and steric protection of enamine carbon. Crystallographic analysis revealed the presence of a B−O double bond close to the shortest end of the reported lengths. Its reactivity has also been examined, and it was majorly governed by the nucleophilicity and basicity of the oxygen atom. The chemical inertness and synthetic convenience of the bis(oxazolinyl)(phenyl)methanide scaffold presented in this work suggest its utility as an innocent alternative to the NacNac scaffold.
Monitoring of false lumen thrombosis in type B aortic dissection by impedance cardiography – A multiphysics simulation study
Authors: Badeli Vahid , Jafarinia Alireza , Melito Gian Marco , Müller Thomas Stephan , Reinbacher‐Köstinger Alice , Hochrainer Thomas , Brenn Günter , Ellermann Katrin , Biro Oszkar , Kaltenbacher Manfred 
Published: December 2022

AbstractAortic dissection is caused by a tear on the aortic wall that allows blood to flow through the wall layers. Usually, this tear involves the intimal and partly the medial layer of the aortic wall. As a result, a new false lumen develops besides the original aorta, denoted then as the true lumen. The local hemodynamic conditions such as flow disturbances, recirculations and low wall shear stress may cause thrombus formation and growth in the false lumen. Since the false lumen status is a significant predictor for late‐dissection‐related deaths, it is of great importance in the medical management of patients with aortic dissection.The hemodynamic changes in the aorta also alter the electrical conductivity of blood. Since the blood is much more conductive than other tissues in the body, such changes can be identified with non‐invasive methods such as impedance cardiography. Therefore, in this study, the capability of impedance cardiography in monitoring thrombosis in the false lumen is studied by multiphysics simulations to assist clinicians in the medical management of patients under treatment.To tackle this problem, a 3D computational fluid dynamics simulation has been set up to model thrombosis in the false lumen and its impact on the blood flow‐induced conductivity changes. The electrical conductivity changes of blood have been assigned as material properties of the blood‐filled aorta in a 3D finite element electric simulation model to investigate the impact of conductivity changes on the measured impedance from the body's surface.The results show remarkable changes in the electrical conductivity distribution in the measurement region due to thrombosis in the false lumen, which significantly impacts the morphology of the impedance cardiogram. Thus, frequent monitoring of impedance cardiography signals may allow tracking the thrombus formation and growth in the false lumen.