bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unveiling the Role of Ruthenium in Layered Sodium Cobaltite Toward High‐Performance Electrode Enabled by Anionic and Cationic Redox
Authors: Voronina Natalia , Köster Konstantin , Yu Jun Ho , Kim Hee Jae , Jung Min‐Gi , Jung Hun‐Gi , Lee Kug‐Seung , Kaghazchi Payam , Myung Seung‐Taek 
Published: August 2023

AbstractThe effect of Ru substitution on the structure and electrochemical properties of P2‐type Na0.67CoO2 is investigated. The first‐discharge capacities of Na0.67CoO2 and Na0.6 [Co0.78Ru0.22]O2 materials are 128 and 163 mAh g−1 (23.5 mA g−1), respectively. Furthermore, the rate capability is improved due to the electro‐conducting nature of Ru doping. Operando X‐ray diffraction analysis reveals that the Na0.67CoO2 does not undergo a phase transition; however, multiple Na+/vacancy ordered superstructures within the P2 phase appear during Na+ extraction/insertion. In contrast, the Na0.6[Co0.78Ru0.22]O2 material undergoes a P2–OP4 phase transition during desodiation, with no formation of Na+/vacancy ordering within the P2 phase. The increased discharge capacity of Na0.6[Co0.78Ru0.22]O2 is most likely associated with additional cationic Ru4+/Ru5+ redox and increased anionic O2−/(O2n−) redox participation. Combined experimental (galvanostatic cycling, X‐ray absorption spectroscopy, differential electrochemical mass spectrometry) and theoretical (density functional theory calculations) studies confirm that Ru substitution provokes the oxygen‐redox reaction and that partial O2 release from the oxide lattice is the origin of the reaction. The findings provide new insight for improving the electrode performance of cathode materials via 4d Ru substitution and motivate the development of a new strategy for the design of high‐capacity cathode materials for sodium‐ion batteries.
Alternative care sites and resident exposure in pediatric emergency medicine: Who, what, and where
Authors: Miller Kelsey A. , Cavallaro Sarah , Hirsch Alexander , Hudgins Joel , Levy Jason , Li Joyce , Lipton Galina , Marchese Ashley , Mannix Rebekah C. , Monuteaux Michael C. , Schutzman Sara , Miller Andrew F. 
Published: August 2023

AbstractObjectivesEmergency medicine (EM) physicians and pediatricians who provide acute pediatric care depend on clinical exposure during residency to learn pediatric EM. Increasing volumes of pediatric patients, especially with behavioral health complaints, have stressed pediatric emergency departments (ED) and prompted clinical operations innovations including alternative care sites outside the main ED. We investigated the impact of these recent trends and resulting alternative care sites on the exposure of residents to core pediatric conditions.MethodsThis retrospective study reviewed patient encounters between July 1, 2018, and December 31, 2022, at a pediatric ED that hosts one pediatric and three EM residencies. During the study, the hospital employed alternative care sites in response to increased and shifting patient populations. Median patients per resident per academic year were compared before and after the opening of alternative care sites, overall and stratified by patient factors (age, sex, Emergency Severity Index [ESI], and diagnostic category). The study also compared the percentage of residents who saw no patients with a given diagnosis between the two periods.ResultsOf 231,101 patient encounters, 199,947 were seen in the main ED and 31,154 in alternative care sites. The median number of patients seen by a single resident in a single academic year ranged from 82 to 136 for pediatric residents and from 128 to 183 for EM residents. The median number of patients per resident per year did not decrease for any age group, sex, ESI level, or diagnosis across the two periods. Residents saw a median of 19 more patients with psychiatric diagnoses (95% CI 15.4–22.7) in the more recent period. Seven diagnoses were not seen by at least 20% of residents during both periods.ConclusionsCurrent pediatric ED capacity challenges can be addressed with alternative care sites without decreasing volume or variety of patients seen by residents.
Thermally activated delayed fluorescence carbazole‐triazine dendrimer with bulky substituents
Authors: Ikebe Hiroki , Nakao Kohei , Hisamura Eri , Furukori Minori , Nakayama Yasuo , Hosokai Takuya , Yang Minlang , Liu Guanting , Yasuda Takuma , Albrecht Ken 
Published: August 2023

AbstractCarbazole‐triazine dendrimers with a bulky terminal substituent were synthesized, and the thermally activated delayed fluorescence (TADF) property was investigated. Compared to unsubstituted carbazole dendrimers, dendrimers with bulky terminal substituents showed comparable to better photoluminescence quantum yields (PLQY) in neat films. Phenylfluorene (PF)‐substituted dendrimers showed the highest PLQY of 81%, a small ΔEst of 0.06 eV, and the fastest reverse intersystem crossing (RISC) rate of ∼1 × 105 s−1 compared to other dendrimers. Phosphorescence measurements of dendrimers and dendrons (fragments) indicate that the close proximity of the triplet energy of phenylfluorene‐substituted carbazole dendrons (3LE) to that of phenylfluorene‐substituted dendrimers (1CT, 3CT) contributes to RISC promotion and improves TADF efficiency. Terminal modification fine‐tunes the energy level and suppresses intermolecular interactions, and this study provides a guideline for designing efficient solution‐processable and non‐doped TADF materials.
Anion‐based regulating mechanism of structural and diffusive property of ionic liquids
Authors: Wang Mi , Wang Yanlei , Zhang Tao , Xia Yu , He Hongyan 
Published: August 2023

AbstractUnderstanding the regulating mechanism of diffusive properties of ionic liquids (ILs) is vital for their practical chemical engineering applications. Herein, we investigate the regulating mechanism of three properties, the structural, thermodynamical, and diffusive properties, of imidazole ILs with 18 kinds of anion via molecular dynamics simulations combined with theoretical analysis. It shows that the radial distribution function and coordinate number for these 18 ILs are similar to each other. However, the vibrational spectrum and diffusive property change greatly with the anion structure, in which the self‐diffusive coefficient (SDC) even changes by an order of magnitude. Furthermore, free energy and entropy have an exponential relationship with SDC, while other structural properties or cation–anion correlations cannot be directly related to SDC. These quantitative relationships suggest that entropy or free energy can serve as the key indicators in designing functional ILs for high‐performance applications in the chemical engineering field.
Enzyme‐Driven, Switchable Catalysis Based on Dynamic Self‐Assembly of Peptides
Authors: Li Qing , Min Jiwei , Zhang Jiaxing , Reches Meital , Shen Yuhe , Su Rongxin , Wang Yuefei , Qi Wei 
Published: August 2023

AbstractCovalent regulatory systems of enzymes are widely used to modulate biological enzyme activities. Inspired by the regulation of reactive‐site phosphorylation in organisms, we developed peptide‐based catecholase mimetics with switchable catalytic activity and high selectivity through the co‐assembly of nanofibers comprising peptides and copper ions (Cu2+). Through careful design and modification of the peptide backbone structure based on the change in the free energy of the system, we identified the peptide with the most effective reversible catalytic activity. Kinase/phosphatase switches were used to control the reversible transition of nanofiber formation and depolymerization, as well as to modulate the active‐site microenvironment. Notably, the self‐assembly and disassembly processes of nanofibers were simulated using coarse‐grained molecular dynamics. Furthermore, theoretical calculations confirmed the coordination of the peptide and Cu2+, forming a zipper‐like four‐ligand structure at the catalytically active center of the nanofibers. Additionally, we conducted a comprehensive analysis of the catalytic mechanism. This study opens novel avenues for designing biomimetic enzymes with ordered structures and dynamic catalytic activities.
Smart Emulsions Stabilized by a Multi‐headgroup Surfactant Tolerant to High Concentrations of Acids and Salts
Authors: Zhang Wanqing , Binks Bernard P. , Jiang Jianzhong , Cui Zhenggang 
Published: August 2023

AbstractRetaining emulsions stable at high acidity and salinity is still a great challenge. Here, we report a novel multi‐headgroup surfactant (C3H7−NH+(C10COOH)2, di‐UAPAc) which can be reversibly transformed among cationic, anionic and zwitterionic forms upon pH variation. Stable oil‐in‐dispersion (OID) emulsions in strong acidity (pH=2) can be co‐stabilized by low concentrations of di‐UAPAc and silica nanoparticles. High salinity at pH=2 improves the adsorption of di‐UAPAc on silica particles through hydrogen bonding, resulting in the transformation of OID emulsions into Pickering emulsions. Moreover, emulsification/demulsification and interconversion between OID and Pickering emulsions together with control of the viscosity and droplet size can be triggered by pH. The present work provides a new protocol for designing surfactants for various applications in harsh aqueous media, such as strong acidity and high salinity, involved in oil recovery and sewerage treatments.
Nano‐hydroxyapatite reinforced polylactic acid bioabsorbable cancellous screws for bone fracture fixations
Authors: Prasad Arbind , Bhasney Siddharth Mohan , Prasannavenkadesan Varatharajan , Sankar Mamilla Ravi , Katiyar Vimal 
Published: August 2023

AbstractBioabsorbable polymer implants aid the fracture treatment to overcome the limitations of metallic implants like stress shielding, corrosion, and revision surgeries. The cancellous screw is one of the internal fixation implants more frequently used in fixation procedures. In this work, nano‐hydroxyapatite (nHAp) reinforced polylactic acid cancellous screws were developed for bone fracture treatment. The biocompatibility and mechanical tests were performed before and after in‐vitro hydrolytic degradation studies. The addition of nanofillers (10 wt% nHAp) enhanced the pullout strength, torsional strength, and shear strength by 18%, 48%, and 5%, respectively. The performed thermal studies confirmed that the nanohydroxyapatite facilitates the crystallization process. A mass loss of about 18% in the case of neat PLA and 12% in the case of 10 wt% nHAp was observed for 90 days of in‐vitro hydrolytic degradation studies. So, the developed combination of biocomposite could help fabricate patient‐specific bioabsorbable fixation devices like screws and plates.
Using photogrammetry to create virtual permanent plots in rare and threatened plant communities
Authors: Tirrell Andrea J. , Putnam Aaron E. , Cianchette Michael I. J. , Gill Jacquelyn L. 
Published: August 2023

AbstractPremiseMany plant communities across the world are undergoing changes due to climate change, human disturbance, and other threats. These community‐level changes are often tracked with the use of permanent vegetative plots, but this approach is not always feasible. As an alternative, we propose using photogrammetry, specifically photograph‐based digital surface models (DSMs) developed using structure‐from‐motion, to establish virtual permanent plots in plant communities where the use of permanent structures may not be possible.MethodsIn 2021 and 2022, we took iPhone photographs to record species presence in 1‐m2 plots distributed across alpine communities in the northeastern United States. We then compared field estimates of percent coverage with coverage estimated using DSMs.ResultsDigital surface models can provide effective, minimally invasive, and permanent records of plant species presence and percent coverage, while also allowing managers to mark survey locations virtually for long‐term monitoring. We found that percent coverage estimated from DSMs did not differ from field estimates for most species and substrates.DiscussionIn order to continue surveying efforts in areas where permanent structures or other surveying methods are not feasible, photogrammetry and structure‐from‐motion methods can provide a low‐cost approach that allows agencies to accurately survey and record sensitive plant communities through time.
New rhadinosuchine proterochampsids from the late Middle‐early Late Triassic of southern Brazil enhance the diversity of archosauriforms
Authors: Paes‐Neto Voltaire D. , Lacerda Marcel B. , Ezcurra Martín D. , Raugust Tiago , Trotteyn María J. , Soares Marina B. , Schultz Cesar L. , Pretto Flávio A. , Francischini Heitor , Martinelli Agustín G. 
Published: August 2023

AbstractProterochampsidae is a clade of non‐archosaurian archosauriforms restricted to the Middle to the Late Triassic of the Ischigualasto‐Villa Unión Basin of Argentina and the Santa Maria Supersequence of Brazil. A reappraisal of proterochampsid specimens from the Brazilian Dinodontosaurus Assemblage Zone (AZ) of the Pinheiros‐Chiniquá Sequence (late Ladinian‐early Carnian) is presented here. One of the specimens was preliminary assigned to Chanaresuchus sp., whose type species comes from the Massetognathus‐Chanaresuchus AZ of the Chañares Formation of Argentina. However, our revision indicates that it differs from Chanaresuchus, being more closely related to the middle‐late Carnian Rhadinosuchus gracilis. We therefore propose the new taxon, Pinheirochampsa rodriguesi, to reallocate this specimen. Additionally, we present a revision of other putative Chanaresuchus occurrences in Brazil, including the only known specimen described for the Santacruzodon AZ (Santa Cruz do Sul Sequence; early Carnian), also proposing it as a new taxon: Kuruxuchampsa dornellesi. Both new species are characterized, among other features, by transverse expansion of the anterior end of the rostrum, similar to the condition present in Rhadinosuchus, but absent in Chanaresuchus, Gualosuchus, Pseudochampsa, and non‐rhadinosuchine proterochampsids. These two new species expand the growing knowledge of the non‐archosaurian archosauriform diversity during the Middle‐Late Triassic in South America and enhance faunal and chronological comparisons between approximately coeval geological units between Argentina and Brazil.
More is better? Understanding the effects of online interactions on patients health anxiety
Authors: Deng Zhaohua , Deng Zihao , Fan Guorui , Wang Bin , Fan Weiguo (Patrick) , Liu Shan 
Published: August 2023

AbstractOnline health platforms play an important role in chronic disease management. Patients participate in online health platforms to receive and provide health‐related support from each other. However, there remains a debate about whether the influence of social interaction on patient health anxiety is linearly positive. Based on uncertainty, information overload, and the theory of motivational information management, we develop and test a model considering a potential curvilinear relationship between social interaction and health anxiety, as well as a moderating effect of health literacy. We collect patient interaction data from an online health platform based on chronic disease management in China and use text mining and econometrics to test our hypotheses. Specifically, we find an inverted U‐shaped relationship between informational provision and health anxiety. Our results also show that information receipt and emotion provision have U‐shaped relationships with health anxiety. Interestingly, health literacy can effectively alleviate the U‐shaped relationship between information receipt and health anxiety. These findings not only provide new insights into the literature on online patient interactions but also provide decision support for patients and platform managers.
Dataset versus reality: Understanding model performance from the perspective of information need
Authors: Yu Mengying , Sun Aixin 
Published: August 2023

AbstractDeep learning technologies have brought us many models that outperform human beings on a few benchmarks. An interesting question is: can these models well solve real‐world problems with similar settings (e.g., identical input/output) to the benchmark datasets? We argue that a model is trained to answer the same information need in a similar context (e.g., the information available), for which the training dataset is created. The trained model may be used to solve real‐world problems for a similar information need in a similar context. However, information need is independent of the format of dataset input/output. Although some datasets may share high structural similarities, they may represent different research tasks aiming for answering different information needs. Examples are question–answer pairs for the question answering (QA) task, and image‐caption pairs for the image captioning (IC) task. In this paper, we use the QA task and IC task as two case studies and compare their widely used benchmark datasets. From the perspective of information need in the context of information retrieval, we show the differences in the dataset creation processes and the differences in morphosyntactic properties between datasets. The differences in these datasets can be attributed to the different information needs and contexts of the specific research tasks. We encourage all researchers to consider the information need perspective of a research task when selecting the appropriate datasets to train a model. Likewise, while creating a dataset, researchers may also incorporate the information need perspective as a factor to determine the degree to which the dataset accurately reflects the real‐world problem or the research task they intend to tackle.
Value‐at‐Risk with quantile regression neural network: New evidence from internet finance firms
Authors: Zeng Li , Lau Wee‐Yeap , Abdul Bahri Elya Nabila 
Published: August 2023

AbstractTraditional risk measurements have proven inadequate in capturing tail risk and nonlinear correlation. This study proposes a novel approach to measure financial risk in the Internet finance industry: a new Value‐at‐Risk (VaR) measurement based on quantile regression neural network (QRNN). Sparrow Search Algorithm (SSA) is utilized to optimize the QRNN model, which improves the model's performance in predicting internet finance risk. By comparing the TGARCH‐VaR and QR‐VaR approaches, our study demonstrates the effectiveness of the QRNN‐VaR approach and its potential to improve the accuracy of risk prediction in the Internet finance industry. This study further examines and compares the risks between the traditional and internet finance industries. It also considers the unique impact of COVID‐19 on industry risk based on statistical testing for differences and machine learning models. Our results indicate that the level of risk in the Internet finance industry is higher than in the traditional finance industry. Moreover, COVID‐19 has contributed to increased risk within the Internet finance industry. These findings have significant implications for investors and policymakers seeking to better understand and manage risks within the Internet finance industry, particularly in the ongoing COVID‐19 pandemic.
Anemonin inhibits sepsis‐induced acute kidney injury via mitigating inflammation and oxidative stress
Authors: Liu Dan , Li Li , Li Zengyan 
Published: August 2023

AbstractElevated inflammation and oxidative stress (OS) are the main pathologic features of acute kidney injury (AKI)‐caused by sepsis. Here, we made an investigation into the protective effects of the natural compound Anemonin (ANE) on sepsis‐induced AKI both in vitro and in vivo. Lipopolysaccharide (LPS) was applied to construct an in vitro AKI model in renal tubular epithelial cells, and the septic C57BL/6J mouse model was constructed via cecal ligation and puncture (CLP). Cell viability and apoptosis were detected. The levels of p53, Bax, Bcl2, Caspase3, Caspase8, Caspase9, AMP‐activated protein kinase (AMPK), Sirt‐1, and forkhead box O3 were determined by Western Blot or RT‐PCR. The reactive oxygen species level and OS markers were measured. Furthermore, the pathological changes of kidneys were evaluated by hematoxylin–eosin staining and immunohistochemistry. As per the information presented, ANE improved LPS‐elicited apoptosis, inflammatory response, and OS in a dose‐dependent pattern in renal tubular epithelial cells. Besides, ANE activated the AMPK/Sirt‐1 pathway, and the AMPK inhibitor (Compound C) and Sirt‐1 inhibitor (EX‐527) significantly attenuated ANE‐mediated protection on renal tubular epithelial cells. In vivo, ANE mitigated the levels of serum creatinine and urea nitrogen in the CLP‐induced mouse sepsis model, reduced the renal tissue injury score, and attenuated OS, inflammation, and apoptosis levels in the kidney. Taken together, this study suggested that ANE has protective effects in sepsis‐triggered AKI through repressing inflammation, OS, and cell apoptosis by activating the AMPK/Sirt‐1 pathway.
Influence of Gegenqinlian decoction on pharmacokinetics and pharmacodynamics of saxagliptin in type 2 diabetes mellitus rats
Authors: Yu Chao , Cui Mingyu , Yin Yifeng , Zhu Fengmei , Sui Yue , Yan Xueying , Gai Yingli 
Published: August 2023

AbstractGegenqinlian decoction (GQD) is a classic prescription of traditional Chinese medicine (TCM), which originated from Shanghanlun. The combination of GQD and hypoglycemic drugs (saxagliptin, Sax, metformin) is often used to treat Type 2 diabetes mellitus (T2DM) in TCM clinics. However, the herb–drug interactions (HDIs) between GQD and hypoglycemic drugs are still unclear. In order to determine the safety of the combination, we assessed the influences of GQD on the pharmacokinetics and pharmacodynamics of Sax in T2DM rats. The plasma concentration of Sax (5 mg/kg) pretreated with GQD (freeze‐dried powder, 1.35 g/kg) or not was determined by high‐performance liquid chromatography (HPLC), and pharmacokinetics parameters were calculated. The influence of GQD on the pharmacodynamics of Sax was investigated by detecting the levels of weight, (see abbreviations list) OGTT, TC, TG, LDL‐C, HDL‐C, FBG, FINS, HOMA‐IR, QUICKI, AST, ALT, and the liver coefficient. The Cmax, AUC0‐t,and AUC0‐∞ of Sax increased significantly in the combination group whether in normal or T2DM rats. The results of pharmacodynamics showed that the weight of rats in each treatment group increased. FBG, TC, TG, LDL‐C, and HOMA‐IR decreased, HDL‐C, FINS, and QUICKI increased significantly (p < 0.05) compared with the model control group. The result showed that the combination of GQD and Sax could not only improve the hypoglycemic effect but also increase the plasma exposure of Sax. The potential HDIs between GQD and Sax should be taken into consideration in clinics. Moreover, for the complexity of the human compared with experimental animals, as well as genetic differences, the in‐depth study should be carried out to assess the uniformity of the pharmacokinetics and pharmacodynamics between rats and humans.