bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Dynamics Simulation for Thiolated Poly(ethylene glycol) at Low‐Temperature Based on the Density Functional Tight‐Binding Method
Authors: Li Shi , Chen Lei , Gui Xuefeng , He Daguang , Hu Jiwen , Huang Zhenzhu , Lin Shudong , Tu Yuanyuan , Dong Yonglu 
Published: October 2022

AbstractThe condensed structure of a material is the basis for the properties of polymeric materials, where the crystalline structure is the most ordered conformation of the polymer condensed structure. The mechanical properties are one of the most fundamental properties of polymer materials and the crystalline state has an important influence on the mechanical properties. Here, the optimal chain conformation and the effect of optimization time on the temperature and energy of molecular thermodynamics and molecular dynamics are investigated using thiolated poly(ethylene glycol) as the base material. The simulation results show that the number of optimization steps and the simulation time are closely related to the molecular conformation of polymer single crystals. A new perspective is provided for exploring intra‐ and intermolecular interactions in polymer crystals and revealing their nature, establishing the link between chain structure and mechanical properties of materials, and designing and manufacturing polymer crystalline materials with better mechanical properties.
Extracellular Vesicles in Cancer Drug Resistance: Roles, Mechanisms, and Implications
Authors: Yang Qiurong , Xu Jing , Gu Jianmei , Shi Hui , Zhang Jiayin , Zhang Jianye , Chen Zhe‐Sheng , Fang Xinjian , Zhu Taofeng , Zhang Xu 
Published: October 2022

AbstractExtracellular vesicles (EVs) are cell‐derived nanosized vesicles that mediate cell‐to‐cell communication via transporting bioactive molecules and thus are critically involved in various physiological and pathological conditions. EVs contribute to different aspects of cancer progression, such as cancer growth, angiogenesis, metastasis, immune evasion, and drug resistance. EVs induce the resistance of cancer cells to chemotherapy, radiotherapy, targeted therapy, antiangiogenesis therapy, and immunotherapy by transferring specific cargos that affect drug efflux and regulate signaling pathways associated with epithelial‐mesenchymal transition, autophagy, metabolism, and cancer stemness. In addition, EVs modulate the reciprocal interaction between cancer cells and noncancer cells in the tumor microenvironment (TME) to develop therapy resistance. EVs are detectable in many biofluids of cancer patients, and thus are regarded as novel biomarkers for monitoring therapy response and predicting prognosis. Moreover, EVs are suggested as promising targets and engineered as nanovehicles to deliver drugs for overcoming drug resistance in cancer therapy. In this review, the biological roles of EVs and their mechanisms of action in cancer drug resistance are summarized. The preclinical studies on using EVs in monitoring and overcoming cancer drug resistance are also discussed.
Highly Stable 4.6 V LiCoO2 Cathodes for Rechargeable Li Batteries by Rubidium‐Based Surface Modifications
Authors: Fan Tianju , Wang Yujie , Harika Villa Krishna , Nimkar Amey , Wang Kai , Liu Xiaolang , Wang Meng , Xu Leimin , Elias Yuval , Sclar Hadar , Chae Munseok S. , Min Yonggang , Lu Yuhao , Shpigel Netanel , Aurbach Doron 
Published: October 2022

AbstractAmong extensively studied Li‐ion cathode materials, LiCoO2 (LCO) remains dominant for portable electronic applications. Although its theoretical capacity (274 mAh g−1) cannot be achieved in Li cells, high capacity (≤240 mAh g−1) can be obtained by raising the charging voltage up to 4.6 V. Unfortunately, charging Li‐LCO cells to high potentials induces surface and structural instabilities that result in rapid degradation of cells containing LCO cathodes. Yet, significant stabilization is achieved by surface coatings that promote formation of robust passivation films and prevent parasitic interactions between the electrolyte solutions and the cathodes particles. In the search for effective coatings, the authors propose RbAlF4 modified LCO particles. The coated LCO cathodes demonstrate enhanced capacity (>220 mAh g−1) and impressive retention of >80/77% after 500/300 cycles at 30/45 °C. A plausible mechanism that leads to the superior stability is proposed. Finally the authors demonstrate that the main reason for the degradation of 4.6 V cells is the instability of the anode side rather than the failure of the coated cathodes.
Texture Regulation of Metal–Organic Frameworks, Microwave Absorption Mechanism‐Oriented Structural Optimization and Design Perspectives
Authors: Gao Zhenguo , Iqbal Aamir , Hassan Tufail , Zhang Limin , Wu Hongjing , Koo Chong Min 
Published: October 2022

AbstractTexture regulation of metal–organic frameworks (MOFs) is essential for controlling their electromagnetic wave (EMW) absorption properties. This review systematically summarizes the recent advancements in texture regulation strategies for MOFs, including etching and exchange of central ions, etching and exchange of ligands, chemically induced self‐assembly, and MOF‐on‐MOF heterostructure design. Additionally, the EMW absorption mechanisms in approaches based on structure–function dependencies, including nano‐micro topological engineering, defect engineering, interface engineering, and hybrid engineering, are comprehensively explored. Finally, current challenges and future research orientation are proposed. This review aims to provide new perspectives for designing MOF‐derived EMW‐absorption materials to achieve essential breakthroughs in mechanistic investigations in this promising field.
Rigorous Assessment of Cl−‐Based Anolytes on Electrochemical Ammonia Synthesis
Authors: Lv Zengxiang , Hao Leiduan , Yao Zhibo , Li Weixiang , Robertson Alex W. , Sun Zhenyu 
Published: October 2022

AbstractMany challenges in the electrochemical synthesis of ammonia have been recognized with most effort focused on delineating false positives resulting from unidentified sources of nitrogen. However, the influence of oxidizing anolytes on the crossover and oxidization of ammonium during the electrolysis reaction remains unexplored. Here it is reported that the use of analytes containing halide ions (Cl− and Br−) can rapidly convert the ammonium into N2, which further intensifies the crossover of ammonium. Moreover, the extent of migration and oxidation of ammonium is found to be closely associated with external factors, such as applied potentials and the concentration of Cl−. These findings demonstrate the profound impact of oxidizing anolytes on the electrochemical synthesis of ammonia. Based on these results, many prior reported ammonia yield rates are calibrated. This work emphasizes the significance of avoiding selection of anolytes that can oxidize ammonium, which is believed to promote further progress in electrochemical nitrogen fixation.
Integration of Nile tilapia (Oreochromis niloticus) and vegetables (Amaranthus hybridus and Brassica rapa pekinensis) for improved production, water use efficiency and nutrient recycling
Authors: Mulokozi Deogratias Pius , Berg Håkan , Tamatamah Rashid Adam , Lundh Torbjörn , Onyango Paul Ochieng 
Published: October 2022

AbstractSustainable agriculture intensification is an urgent challenge in developing countries including Tanzania. One potential solution is to adopt farming systems that increase farm production by optimizing resource use efficiency, and integrated aquaculture system, which involves farming of fish and crops, is an example of such systems. This study investigated the impact of Integrated agriculture and aquaculture (IAA) farming on water use efficiency, fish and vegetable production and overall system profitability, and how these parameters are affected by fish stocking densities. Oreochromis niloticus (2.5 g average initial weight) were cultured at low stocking density (five fish m−3, LSD), medium stocking density (eight fish m−3, MSD), and high stocking density (12 fish m−3, HSD) for 205 days. Brassica rapa pekinensis and Amaranthus hybridus cultivated adjacent to the fish tanks were irrigated with; (i) fish tank water, without any fertilizer inputs; (ii) fish tank water, partially fertilized; (iii) tap water, fully fertilized (farmers’ practice); and (iv) tap water without any fertilizer inputs. Although the use of tank water from the high fish stocking density resulted in significantly higher vegetable yield, high fish stocking resulted in lower fish growth, profitability and water use efficiency compared to the other fish stocking densities, probably because of low survival rates (28%) at high stocking densities. The integration of fish at a medium stocking density with vegetables resulted in significantly higher net income than when fish and vegetables were grown separately.
Germination of grass species from dry and wet grasslands in response to osmotic stress under present and future temperatures
Authors: Souza Cristiele S. , Ramos Desirée M. , Barbosa Eduardo R. M. , Borghetti Fabian 
Published: October 2022

AbstractPremiseSeed germination is controlled by the soil microclimate, which is expected to change with the temperature increase and rainfall irregularity predicted for the future. Because changes in soil characteristics directly affect species recruitment, vegetation dynamics and resilience, we investigated how caryopses of native grasses from dry and wet grasslands respond to water stress under current and future temperature regimes.MethodsCaryopses were collected from 10 grass species in dry and wet grasslands, subjected or not to a fire event, and tested for germination at increasing osmotic potential (0 to –1.0 MPa) at current (17°/27°C night/day) and future (23°/33°C) simulated temperatures.ResultsThe viability and germination percentages of caryopses from both dry and wet grassland species were progressively reduced as osmotic stress increased, irrespective of temperature regime. The viability of caryopses from wet grassland species was reduced under the future temperature regime, irrespective of osmotic potential. The slow germination of caryopses of dry grassland species at the present temperature regime was absent when they were incubated in the future temperature regime.ConclusionsMore intense water stress reduced the survival of caryopses for both dry and wet grassland grass species. The predicted future temperature regime reduced the viability of wet grassland species and altered the germination strategy of dry grassland species. These results indicate that increasing water stress and temperature predicted for the future may compromise the recruitment potential of dry and wet grassland species and directly impact the dynamics and resilience of these ecosystems.
Mimics of Pediatric Small Vessel Primary Angiitis of the Central Nervous System
Authors: Stredny Coral M. , Blessing Melissa M. , Yi Vivian , Ryan Morgan E. , Zhang Bo , Solomon Isaac H. , Prabhu Sanjay P. , Alexandrescu Sanda , Gorman Mark P. 
Published: October 2022

ObjectiveSmall vessel primary angiitis of the central nervous system is a rare and often severe disease characterized by central nervous system‐restricted inflammatory vasculitis on histopathology. Diagnosis requires brain biopsy for confirmation and is suggested prior to starting immunotherapy when feasible. However, emerging evidence suggests that other neuroinflammatory conditions may have a clinical and radiographic phenotype that mimics small vessel primary angiitis, at times with overlapping pathologic features as well. Such diagnoses, including myelin oligodendrocyte glycoprotein antibody‐associated disease and central nervous system‐restricted hemophagocytic lymphohistiocytosis, can be non‐invasively diagnosed with serum antibody or genetic testing that would prompt different monitoring and treatment paradigms. To determine the ultimate diagnosis of patients who were suspected prior to biopsy to have small vessel primary angiitis, we reviewed the clinical, radiographic, and pathological features of a cohort of patients at a single center undergoing brain biopsy for non‐oncologic indications.MethodsClinical data were retrospectively extracted from the medical record. Pathology and neuroimaging review was conducted.ResultsWe identified 21 patients over a 19‐year time‐period, of whom 14 (66.7%) were ultimately diagnosed with entities other than small vessel primary angiitis that would have obviated the need for brain biopsy. Diagnoses included anti‐myelin oligodendrocyte glycoprotein antibody associated disease (n = 9), central nervous system‐restricted hemophagocytic lymphohistiocytosis (n = 3), anti‐GABAA receptor encephalitis (n = 1), and Aicardi‐Goutières syndrome (n = 1).InterpretationThis study highlights the importance of pursuing now readily available non‐invasive testing for mimicking diagnoses before performing a brain biopsy for suspected small vessel primary angiitis of the central nervous system. ANN NEUROL 2023;93:109–119
Copper‐Catalyzed 1,2‐Dicarbonylative Cyclization of Alkenes with Alkyl Bromides via Radical Cascade Process
Authors: Zhao Fengqian , Gu Xing‐Wei , Franke Robert , Wu Xiao‐Feng 
Published: October 2022

AbstractHerein, we developed a new procedure on 1,2‐dicarbonylative cyclization of 4‐aryl‐1‐butenes with alkyl bromides. Using simple copper catalyst, two molecules of carbon monoxide were introduced into the double bond with the formation of four new C−C bonds and a new ring. Various α‐tetralones and 2,3‐dihydroquinolin‐4‐ones were formed in moderate to good yields.
Micro and nanotechnologies: The little formulations that could
Authors: Stiepel Rebeca T. , Duggan Eliza , Batty Cole J. , Ainslie Kristy M. 
Published: October 2022

AbstractThe first publication of micro‐ and nanotechnology in medicine was in 1798 with the use of the Cowpox virus by Edward Jenner as an attenuated vaccine against Smallpox. Since then, there has been an explosion of micro‐ and nanotechnologies for medical applications. The breadth of these micro‐ and nanotechnologies is discussed in this piece, presenting the date of their first report and their latest progression (e.g., clinical trials, FDA approval). This includes successes such as the recent severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) vaccines from Pfizer, Moderna, and Janssen (Johnson & Johnson) as well as the most popular nanoparticle therapy, liposomal Doxil. However, the enormity of the success of these platforms has not been without challenges. For example, we discuss why the production of Doxil was halted for several years, and the bankruptcy of BIND therapeutics, which relied on a nanoparticle drug carrier. Overall, the field of micro‐ and nanotechnology has advanced beyond these challenges and continues advancing new and novel platforms that have transformed therapies, vaccines, and imaging. In this review, a wide range of biomedical micro‐ and nanotechnology is discussed to serve as a primer to the field and provide an accessible summary of clinically relevant micro‐ and nanotechnology platforms.
Case of recurring Kikuchi disease and autoimmune hepatitis
Authors: Dhamrah Umaima , Ireifej Branden , Ummar Sibghatallah , Batool Nuzhat , Song David , Sheth Nirali , Shrestha Abhigan Babu , Jaiswal Vikash 
Published: October 2022

AbstractWe present a case of a 47‐year‐old female patient with a history of diagnosed Kikuchi disease and autoimmune hepatitis 13 years ago who presented with recurrent fevers and a desquamative rash on the lower extremities. Computed tomography neck showed enlarged lymph nodes, and with her daily fevers and skin rashes the presentation was concerning for recurrence of her Kikuchi disease. The patient was also found to have an elevated anti‐smooth muscle antibody titer, and subsequent liver biopsy confirmed the diagnosis of autoimmune hepatitis. She was started on methylprednisolone with improvement. Our case emphasizes the association of Kikuchi disease with autoimmune conditions other than systemic lupus erythematosus. Given the recurrence of the disease after a decade of quiescence, long‐term follow‐up of patients with Kikuchi disease should be implemented.
Electrodeposition of Metal‐Free Polyaniline Electrocatalyst for Efficient Oxygen Evolution in Acid
Authors: Xu Meng , Gao Wenluan , Zhao Rong , Sun Jiuyi , Han Yunxi , Niu Xiaopo , Xu Zhihong , Qin Yue , Wang Qingfa 
Published: October 2022

AbstractDeveloping efficient and competitive electrocatalysts for the oxygen evolution reaction (OER) in acid is a great challenge for hydrogen production. Compared with metal catalysts, metal‐free catalysts are more environmentally friendly and cheaper. Herein, we present a novel non‐metallic self‐supporting polyaniline catalyst (PANI3/CFP) synthesized by electrodeposition for efficient water oxidation. Benefiting from the three‐dimensional network structure, excellent conductivity, and large number of nitrogen functional groups, PANI3/CFP exhibits high activity towards OER. At a current density of 10 mA cm−2, PANI3/CFP delivers a low overpotential of 204 mV in 0.1 mHClO4, much lower than commercial Ir/C and previously reported acidic OER catalysts. Besides, the turnover frequency (TOF) value of PANI3/CFP reaches 0.0456 s−1at 1.5 V versus the reversible hydrogen electrode (vs. RHE). Analysis of structure and electrocatalytic performances reveal that =N− species in polyaniline are the main active sites for acidic OER. This work provides a unique strategy for the design of non‐metallic acidic OER catalysts.
Measuring the gap between elicited and revealed risk for investors: An empirical study
Authors: Thompson John R. J. , Feng Longlong , Reesor R. Mark , Grace Chuck , Metzler Adam 
Published: October 2022

AbstractFinancial advisors use questionnaires and discussions with clients to determine investment goals, elicit risk preference and tolerance and establish a suitable portfolio allocation for different risk categories. Financial institutions assign risk ratings to their financial products. Advisors use these ratings to categorize products into the same risk categories used for portfolio allocation. Subsequently, clients select a portfolio of assets whose risk profile we call revealed risk. This paper proposes a novel methodology for comparing an individual's elicited and revealed risk. We propose using Value‐at‐Risk to measure elicited and revealed risk and the discrepancy between them, showing whether clients are over‐risked or under‐risked. We demonstrate the methodology using a dataset from a Canadian private financial dealer. We find that elicited risk is consistently higher than revealed risk–advisors build a safety buffer into their recommendations–and elicited risk varies with respect to demographic features and trading behaviors in expected ways–investors are receiving sound advice. This risk discrepancy could be used, for example, to gauge the quality of financial advice an individual is receiving, or it could be used to help advisors communicate inconsistencies between client trading actions and client goals. Our methodology falls into the interest realms of advisors, regulators, and dealerships.
Activated Single‐Phase Ti4O7 Nanosheets with Efficient Use of Precious Metal for Inspired Oxygen Reduction Reaction
Authors: Xu Fan , Zou Qing , Xiong Gangquan , Zhang Huijuan , Wang Feipeng , Wang Yu 
Published: October 2022

AbstractThe oxygen reduction reaction (ORR) is central to modern energy storage and conversion technologies for grids such as fuel cells and electrolyzers, but challenges remain due to the lack of reliable, economic, and durable electrocatalysts. Here, we develop single‐crystal conductive black titanium (Ti4O7) nanosheets (NSs) as a new precious metal carrier based on sacrificial hard templates and ultrasonic‐assisted peeling, and deposit Pt clusters on Ti4O7  NSs induced by wetness impregnation under the irradiation of visible light (VI; 650 nm). Pt/Ti4O7  NSs provide Ti3+, Pt2+, and Pt0+ continuous active sites for the ORR multielectron process, achieving synergy among them. The assistance of visible light not only makes a more uniform and smaller distribution of Pt nanoclusters, but also strengthens the charge transfer, thereby constructing a strong metal‐support interaction interface. VI−Pt/Ti4O7  NSs show superior initial oxidation potential and a mass activity of 1.61 A mg−1Pt at a E1/2=0.91 V, which is nine times higher than that of commercial Pt/C. This work provides an effective strategy for achieving high‐value applications of titanium sub‐oxides and further explores the enhanced interface in metals TinO2n‐1 by light radiation.
Vibrational Properties of LaNb0.8M0.2O4‐δ (M=As, Sb, V, and Ta)
Authors: Mielewczyk‐Gryń Aleksandra , Wachowski Sebastian , Dzierzgowski Kacper , Szpunar Iga , Strychalska‐Nowak Judyta , Klimczuk Tomasz , Sawczak Mirosław , Gazda Maria 
Published: October 2022

AbstractLaNb0.8M0.2O4‐δ (where M=As, Sb, V, and Ta) oxides with pentavalent elements of different ionic sizes were synthesized by a solid‐state reaction method. The vibrational properties of these oxides have been investigated. These studies revealed that the substituent element influences both Debye temperature value as well as the Raman active vibrational modes. Additionally, the low‐temperature vibrational properties of LaNb0.8Sb0.2O4‐δ have been determined to show the phase transition occurrence at 260 K which is lower than previously reported.
(La1‐xMx)2(Nb0.45Yb0.55)2O7‐δ (M=Ca, Sr, Ba) Ionic Conductors Promoted by Foreign/Domestic Dual Acceptor‐Doping Strategies
Authors: Zhang Xiaorong , Jiang Lulu , Guo Shihang , Han Donglin 
Published: October 2022

AbstractIn this work, a class of ionic conductor (La1‐xMx)2(Nb0.45Yb0.55)2O7‐δ (M=Ca, Sr, and Ba) with a cubic pyrochlore structure was reported. Two strategies were adopted to increase the concentration of oxygen vacancies favoring the hydration reaction to introduce protons. One was increasing the cation ratio between Yb and Nb over unity, the other was doping divalent alkaline earth elements to replace trivalent La. Proton conduction was evidenced by confirming the proton incorporation and H/D isotope effect in electrical conductivity. Doping Ca, Sr, and Ba further promoted the proton conduction. The results of crystal structure refinement indicated that the extrinsically introduced oxygen vacancies by the two strategies were accommodated in the tetrahedra (48 f) containing two La and two Yb/Nb cations, while the tetrahedra containing four La cations (8a) were fully occupied by oxide ions. A discussion was thereby performed, leading to the suggestion that not all the tetrahedra in the cubic pyrochlore structure of (La1‐xMx)2(Nb0.45Yb0.55)2O7‐δ helped in incorporating and conducting protons, and only the oxygen vacancies surrounded by four Y cations (48 f site) or two La and two Y cations (8b site) were hydratable. It is thereby suggested that to enhance the proton conduction in pyrochlore oxides, an effective strategy might be tuning the ability of hydration or protonation of the tetrahedra to increase the proton concentration and expand the route for proton conduction.