bluuebunny/crossref_metadata_2025_split huggingface dataset:
Natural Halloysite Nanotubes Coated Commercial Paper or Waste Newspaper as Highly‐Thermal‐Stable Separator for Lithium‐Ion Batteries
Authors: Huang Jinhua , Jiang Heng , Wu Feixiang , Xiong Xiang , Han Kai 
Published: June 2022

AbstractCommercial polypropylene (PP) and polyethylene (PE) films are widely used as separators for lithium‐ion batteries (LIBs). However, owing to the poor thermal stability of PP and PE films, current LIBs suffer from serious safety risks in their practical applications. As an effective path, the design of novel high‐safety composite separators can significantly overcome the safety issues of LIBs. Herein, a universal and cost‐effective strategy is developed to fabricate highly‐thermal‐stable separators via coating natural halloysite nanotubes (HNTs) on both sides of commercial papers or waste newspaper. The resulted separators show superior properties, including thermal stability, heat conduction, wettability, and electrolyte uptake. Compared with commercial PP separators, both HNTs coated A4 paper and waste newspaper composite separators enable better cycling and rate performance for Li/LiFePO4 cells. Even after burning in fire or treating under 180 °C, the composite separators still present a normal structure, and the assembled cell can perform as regular. Furthermore, the nail penetration test of pouch cells illustrates that such separator significantly prevents thermal runaway of LIBs. The inexpensive and environmentally friendly materials with a facile coating process provide a highly‐thermal‐stable separator for commercial LIBs.
Dynamic, Tunable, and Conformal Wearable Compression Using Active Textiles
Authors: Granberry Rachael , Clarke Megan , Pettys‐Baker Robert , Woelfle Heidi , Compton Crystal , Ross Amy , Johnson Kirstyn , Padula Santo , Shah Surbhi , Abel Julianna , Holschuh Brad 
Published: June 2022

AbstractNew medical compression technologies that are simultaneously low‐profile, facile to don, and dynamic—applying medical compression only when needed—can expand the use of wearable compression, increase patient compliance, and lead to better medical outcomes. Dynamic and conformal wearable compression devices are presented that can be donned in a low‐stiffness state and transition into a high‐stiffness and, consequently, high‐compression state, on‐demand. These devices are enabled by active textiles developed from custom NiTi filaments that remain inactive at room temperature and accomplish actuation proximal to the human body surface. Further, these compression devices exploit NiTi material hysteresis to sustain a high‐compression state post‐heating and upon equilibrium with the body surface temperature for thermally‐comfortable, on‐body performance. Two case study examples—1) a consumer medical compression device and 2) a custom astronaut compression device—demonstrate the generalizability and flexibility of the engineering and design methods to develop a range of dynamic, tunable, and conformal compression devices with different goals and requirements. Further, this work demonstrates a roadmap for developing wearable systems that can accommodate a range of users without sacrificing system performance. This research opens doors for new NiTi‐based medical and consumer applications that interface with the body surface.
Cu(I) Mediated Azidation of Halobenzenes, and Cu Catalysed Selective Azide Reduction to Corresponding Amines
Authors: Roemer Max , Luck Ian , Proschogo Nicholas 
Published: June 2022

AbstractAryl amines are synthesized from halobenzenes via copper mediated reactions employing sodium azide under mild conditions in ethanol/water. The reaction proceeds stepwise via the aryl azide, which is reduced to the corresponding amine in‐situ. The methodology allows syntheses of amines from corresponding para‐, meta‐ and ortho‐bromobenzenes bearing electron withdrawing groups. Bifunctional halobenzenes bearing alkanoyl chains with terminal bromides are selectively transformed, generating an aniline and an aliphatic azide, as this azide position is stable to reduction. A one‐pot multistep sequence for preparation of the target amines was designed. The azide formation is mediated by CuI while elemental Cu is generated simultaneously, which is deposited onto the employed PTFE stirring bar used in the reaction. The Cu films were quantified and analysed by SEM/EDS. The Cu, either deposited or in solution, is responsible for the azide reduction, possibly involving nitrene intermediates. An application of the modified stirring bars as a heterogeneous catalyst for a click reaction is demonstrated.magnified image
Delocalized Electrons via In Situ CNT Growth on Au/g‐C3N4 for Boosting Photocatalytic H2 Evolution
Authors: Xia Zhihua , Chen Cheng , Qi Xiaoying , Xu Quanlong , Tang Hua , Liu Gang 
Published: June 2022

AbstractGraphitic carbon nitride (g‐C3N4) is a prominent polymer photocatalyst, yet it suffers from severe charge carrier recombination in photocatalysis. Herein, carbon nanotubes (CNTs) are in situ grown onto g‐C3N4 nanosheets via a chemical vapor deposition (CVD) process, catalyzed by Au nanoparticles (NPs) pre‐deposited on g‐C3N4 surface via deposition‐precipitation. Systematic characterizations, in particular femtosecond transient absorption spectroscopy (fs‐TAS) and time‐resolved photoluminescence (TR‐PL), prove that CNTs can efficiently extract the localized electrons in the tri‐s‐triazine units of g‐C3N4, thereby enhancing charge carrier diffusion and separation. As a result, CNT/Au/g‐C3N4 nanocomposites display a H2 evolution rate of 0.95 mmol g−1 h−1, which is about three times higher than that of Au/g‐C3N4. This work may pave a path to explore the full potential of CNTs to modify g‐C3N4 or other photocatalysts in solar‐to‐chemical energy conversion.
Zeolite NPO‐Type Azolate Frameworks
Authors: Zha Xiangyi , Li Xinhao , Al‐Omari Abdulhadi A. , Liu Shan , Liang Cong‐Cong , Al‐Ghourani Ala'a , Abdellatief Mahmoud , Yang Jingjing , Nguyen Ha L. , Al‐Maythalony Bassem , Shi Zhaolin , Cordova Kyle E. , Zhang Yue‐Biao 
Published: June 2022

AbstractThree‐membered rings (3‐rings) are an important structural motif in zeolite chemistry, but their formation remains serendipitous in reticular chemistry when designing zeolitic imidazolate frameworks (ZIFs). Herein, we report a design principle for constructing four new ZIFs, termed ZIF‐1001 to ‐1004, from tetrahedral ZnII centers (T), benzotriazolate (bTZ), and different functionalized benzimidazolates (RbIM) that adopt a new zeolite NPO‐type topology built from 3‐rings. Two factors were critical for this discovery: i) incorporating the bTZ linker within the structures formed 3‐rings due to a ∠(T−bTZ−T) angle of 120–130° reminiscent of the ∠(Ge−O−Ge) angle (130°) observed in germanate zeolite‐type structures having 3‐rings; and ii) RbIM guided the coordination chemistry of bTZ to bind preferentially in an imidazolate‐type mode. This series’ ability to selectively capture CO2 from high‐humidity flue gas and trap ethane from tail gas during shale gas extraction was demonstrated.
The association between family socioeconomic status and urban–rural and high‐school attainment gaps: A logistic regression analysis of the China Family Panel Studies data
Authors: Song Qiongjiang , Tan Cheng Yong 
Published: June 2022

AbstractDecades of research have been conducted on the factors [i.e. family socioeconomic status (SES), urban–rural divide (household registration) and high‐school type] associated with higher education selection. However, few studies have disentangled the relationship between each factor and the mechanisms of inequality among these factors in higher education selection. The present study, analysing China Family Panel Studies data (N = 3043), first examined the factors that predicted higher education selection and then ascertained the interplay of family SES, household registration and high‐school type. The two major findings were: (1) family SES and high‐school type (key/non‐key schools) were positively associated with the predicted probability of students' access to higher education and elite universities, while household registration (the urban–rural divide, hukou) was only associated with the predicted probability of students' access to higher education; and (2) either urban or rural students and either key or non‐key school students from socioeconomically advantaged families had a higher probability of access to both higher education and elite universities compared to their counterparts from socioeconomically disadvantaged families. The study also found that family SES did not drive the urban–rural attainment gaps (access to both higher education and elite universities), while the key/non‐key school attainment gap in access to higher education was primarily attributable to family SES. However, the attainment gap between key and non‐key high schools in admission to elite universities was not dependent on family SES. The present study contributes to the existing literature on higher education by shedding light on the determinants of educational attainment in terms of higher education selection and by enabling a greater understanding of the real possibility of confounding between family SES, household registration and high‐school type in higher education selection.
Stability‐indicating liquid chromatography method development for assay and impurity profiling of amitriptyline hydrochloride in tablet dosage form and forced degradation study
Authors: Boppy N. V. V. D. Praveen , Haridasyam Sharath Babu , Vadagam Niroja , Pasham Mohan , Venkatanarayana Muvvala , Begum Belquis 
Published: June 2022

AbstractAmitriptyline hydrochloride is an antidepressant drug with sedative effects used to treat the symptoms of anxiety, agitation with depression and schizophrenia with depression. A reversed‐phase high‐performance liquid chromatography method was developed to separate and quantitatively determine the assay and four organic impurities of amitriptyline in tablet dosage form and bulk drugs using a C18 column in an isocratic elution mode with mobile phase consisting of a mixture of pH 7.5 phosphate buffer and methanol. The pH conditions used in the chromatographic separation are discussed. The stability‐indicating characteristics of the proposed method were proved using stress testing [5 m HCl at 80°C/1 h, 5 m NaOH at 80°C/1 h, H2O (v/w) at 80°C/1 h, 6% H2O2 (v/v) at 25°C/1 h, dry heat at 105°C/24 h and UV–vis light/4 days] and validated for specificity, detection limit, quantitation limit, linearity, precision, accuracy and robustness. For amitriptyline and its four known organic impurities, the quantitation limits, linearity and recoveries were in the ranges 0.25–3.0 μg/ml (r2 > 0.999) and 87.9–107.6%, respectively. The mass (m/z) spectral data of amitriptyline hydrochloride and its impurity are discussed. The proposed LC method is also suitable for impurity profiling and assay determination of amitriptyline in bulk drugs and pharmaceutical formulations.
Effect of Substituents in Functional Bipyridonate Ligands on Ruthenium‐Catalyzed Dehydrogenative Oxidation of Alcohols: An Experimental and Computational Study
Authors: Shimbayashi Takuya , Ito Hajime , Shimizu Mineyuki , Sano Hayato , Sakaki Shigeyoshi , Fujita Ken‐ichi 
Published: June 2022

AbstractA series of hexamethylbenzene (HMB)–Ru complexes 2–5 bearing a 4,4’‐functionalized 2,2’‐bipyridine‐6,6’‐dionate (bpyO) ligand, which exhibits metal‐ligand cooperative catalysis, was prepared with the aim of developing excellent catalyst for dehydrogenative oxidation of alcohols. Interestingly, the catalytic activity increased in the order 3 (CF3) <4 (OMe)<2 (H) <5 (NMe2), where substituents at 4,4’‐positions of bpyO ligand are in parentheses. This is different from the order of simple electron‐donating ability. DFT calculations revealed that the rate‐limiting step is the concerted proton/hydride transfer from the alcohol to the complex. The activation energy decreases as the interaction between the alcoholic proton and the O atom of the bpyO ligand becomes stronger; hence, the introduction of the NMe2 group decreases the activation energy, whereas that of the CF3 group increases it. The unexpectedly lower catalytic ability of 4 than that of 2 results from the enthalpy–entropy compensation effect.
Bimetallic CuCo@Nitrogen/Carbon Nanoparticles as a Cathode Catalyst for Magnesium‐Air Batteries
Authors: Dong Xiaoyang , Wang Jinxing , Wang Xiao , Xu Junyao , Yang Jingdong , Zeng Wen , Li Yuanhao , Zhao Yanfei , Huang Guangsheng , Wang Jingfeng , Pan Fusheng 
Published: June 2022

AbstractMg‐air batteries are regarded as one of the most promising electrochemical energy storage and conversion devices. Developing high‐performance, low‐cost and durable non‐noble metal electrocatalysts for oxygen reduction reaction (ORR) at cathode is extremely critical for promoting the practical applications of Mg‐air batteries. The bimetallic M−N−C catalysts possess the superior ORR activity and stability due to the synergetic effect of metal atoms. Herein, prussian blue analogues (PBA) were employed as precursors to prepare bimetallic M−N−C electrocatalysts. The CuCo@N/C and Co@N/C were derived from CuCo−PBA and CoCo−PBA calcined under different temperatures. The bimetallic CuCo@N/C nanoparticles pyrolyzed at 800 °C (CuCo@N/C‐800) displays superior ORR performances and outstanding stability in alkaline and neutral electrolytes. The primary Mg‐air batteries assembled with the CuCo@N/C‐800 as the cathode catalyst displays better discharge performances than that of Co@N/C‐800. This work provides an effective strategy to synthesize bimetallic and non‐noble ORR catalysts for Mg‐air batteries.
Oxygen Vacancy‐Enhanced Ternary Nickel‐Tungsten‐Cerium Metal Alloy‐Oxides for Efficient Alkaline Electrochemical Full Cell Water Splitting Using Anion Exchange Membrane
Authors: Chen Kai , Rajendiran Rajmohan , Deviprasath Chinnadurai , Mathew Sobin , Cho Young‐Rae , Prabakar Kandasamy , Lun Li Oi 
Published: June 2022

AbstractInvited for this issue's Front Cover is the research led by the Renewable Energy Lab from Pusan National University (South Korea). The cover picture shows the ternary alloy oxide composed of NiCeWOx as advanced bi‐functional electrocatalyst for anion membrane full water splitting. The efficient HER‐OER electrocatalytic performance is attributed to its unique alloyed oxygen vacancy structure‐property, which facilitates the diffusion of protons/OH− ions and significantly improves the electron conductivity for catalytic reactions. Read the full text of the Research Article at10.1002/celc.202200093.
High‐Throughput Platform for Novel Reaction Discovery
Authors: Lu Xiao , Luo Zhiji , Huang Ruili , Lo Donald C. , Huang Wenwei 
Published: June 2022

AbstractDetecting the formation of new chemical bonds in high‐throughput synthesis is limited by the efficiency and scalability of reaction product detection, as conventional methods for isolating product from reaction mixtures are time consuming and labor intensive. Here, we report a miniaturizable purification method that enables the rapid, high‐throughput isolation of quaternary ammonium‐tagged products from reaction mixtures with excellent purity using inexpensive equipment that easily can be set up in a typical organic chemistry laboratory. This novel purification technique enabled us to establish a high‐throughput reaction discovery platform. We validated this platform in a screen of 1536 reactions, and one previously unreported transformation was identified.
Mechanistic Insight into the Photoinduced Damage of an Unnatural Base Pair
Authors: Huo Bianbian , Zhang Xiguang , Wang Chao , Wang Honglei , Zhu Gongming , Zhu Wuyuan , Zhu Anlian , Mei Hui , Li Lingjun 
Published: June 2022

AbstractChemical‐ and photostability of unnatural base pairs (UBPs) are important to maintain the genetic code integrity, and critical for developing healthy semisynthetic organisms. As reported, dTPT3 was less stable upon irradiation, and thus might act as a pervasive photosensitizer to induce oxidative damage within DNA, causing harm to living semi‐synthetic organisms when exposed to UVA radiation. However, there was no knowledge about molecular‐level understanding of this damage process. In this paper, we not only identified four photoproducts of dTPT3, including desulfur‐dTPT3 (dTPT3H), TPT3 sulphinate (TPT3SO2), TPT3 sulphonate (TPT3SO3) and TPT3‐thioTPT3 (TPT3STPT3), but also established a Type II photosensitized oxidation mechanism. In addition, the antioxidant (sodium ascorbate) was able to effectively inhibit the photoproducts formation of dTPT3 and dTPT3 in DNA, suggesting that a reductive environment might protect DNA bearing dTPT3 against UVA oxidation and ameliorate its adverse biological effects. The comprehensive understanding of TPT3’ photochemical stability will give researchers helpful guidance to design more photostable UBPs and construct healthier semisynthetic organisms.
Tunable Emissive Ir(III) Benzimidazole‐quinoline Hybrids as Promising Theranostic Lead Compounds
Authors: Redrado Marta , Miñana Miriam , Coogan Michael P. , Concepción Gimeno M. , Fernández‐Moreira Vanesa 
Published: June 2022

AbstractBioactive and luminescent cyclometallated Ir(III) complexes [Ir(ppy)2L1]Cl (1) and [Ir(ppy)2L2]Cl (2) containing a benzimidazole derivative (L1/L2) as auxiliary mimic of a nucleotide have been synthesised. The emissive properties of both complexes are conditioned by the nature ofL1andL2, rendering an orange and a green emitter respectively. Both are highly emissive with quantum yield increasing in absence of oxygen up to 0.26 (1) and 0.36 (2), suggesting their phosphorescent character. Antiproliferative activity against lung cancer A549 cells increased up to 15 times upon irradiation conditions, reaching IC50values in the nanomolar range (0.3±0.09 μM (1) and 0.26±0.14 μM (2)) and pointing them as good PSs candidates for photodynamic therapy via1O2generation. Cellular biodistribution analysis by fluorescence microscopy suggest the lysosomes as the preferential accumulation organelle. Time‐resolved studies showed a greatly increased cellular emission lifetime compared to the solution values, indicating binding to macromolecules or cellular structures and restriction of collision and vibrational quenching.
Envisioning clinical trials as complex interventions
Authors: Stensland Kristian D. , Damschroder Laura J. , Sales Anne E. , Schott Anne F. , Skolarus Ted A. 
Published: June 2022

AbstractClinical trials are critical components of modern health care and infrastructure. Trials benefit society through scientific advancement and individual patients through trial participation. In fact, billions of dollars are spent annually in support of these benefits. Despite the massive investments, clinical trials often fail to accomplish their primary aims and trial enrollment rates remain low. Prior efforts to improve trial conduct and enrollment have had limited success, perhaps due to oversimplification of the complex, multilevel nature of trials. For these reasons, the authors propose applying implementation science to the clinical trials context. In this commentary, the authors posit clinical trials as complex, multilevel evidence‐based interventions with significant societal and individual benefits yet with persistent gaps in implementation. An application of implementation science concepts to the clinical trials context as means to build common vocabulary and establish a platform for applying implementation science and practice to improve clinical trial conduct is introduced. Applying implementation science to the clinical trials context can augment improvement efforts and build capacity for better and more efficient evidence‐based care for all patients and trial stakeholders throughout the clinical trials enterprise.
Corporate sustainability and trade credit financing: Evidence from environmental, social, and governance ratings
Authors: Tian Haowen , Tian Gaoliang 
Published: June 2022

AbstractUsing Chinese listed companies from 2009 to 2020, this study investigates the impact of corporate sustainability (measure by environmental, social and governance [ESG] ratings) of listed companies on trade credit financing. Empirical results show that better ESG performance is related to lower information risk and operation risk, which can further increase corporate trade credit financing. The results remain significant after a series of robustness tests. Moreover, such relationship is more pronounced for non‐state‐owned enterprises. The findings of this paper enrich the existing studies on the economic consequences of ESG performance, and influencing factors of corporate trade credit financing. Meanwhile, the findings may provide some implications for corporate managers, investors, and suppliers in making management or investment decisions.
The impact of social responsibility on corporate financial performance in the energy sector: Evidence from Lithuania
Authors: Adamkaite Judita , Streimikiene Dalia , Rudzioniene Kristina 
Published: June 2022

AbstractClimate change and sustainable development challenges have significant impact on business strategies. Corporate social responsibility (CSR) is becoming more and more integral to a business's strategy, its values, and its daily life cycle. Energy sector is under increasing pressure from society due to its huge environmental footprint and social importance. As environmental expectations increase, the energy sector must adapt to this, taking into account social‐environmental issues and finding new solutions, which will undoubtedly have an impact on its financial performance. There are limited number of studies dealing with the impact of CSR initiatives on financial performance of energy companies. The paper aims to examine the impact of CSR activities on companies' financial performance in the Lithuanian energy sector. The new method of CSR performance assessment of energy companies was developed and applied in this case study. The relevant financial performance indicators were selected to measure the impact of CSR on financial performance of energy companies. The results of the study, which examined nine Lithuanian energy companies, showed the dominating neutral relationship between CSR and financial performance during 2017–2020 period.
Hepatoid prostatic carcinoma with adrenal metastasis and novel genetic alterations
Authors: Ayala Soriano Carla , Benitez Barzaga Maikel , Chhina Arashpreet , Jain Maneesh , Nava Victor E. 
Published: June 2022

AbstractHepatoid carcinoma (HC) encompasses epithelial extrahepatic tumors exhibiting features of hepatocellular carcinoma (HCC) both by morphology and immunohistochemistry. Distinguishing metastatic HCC from HC may be challenging, particularly when limited material, such as a cytologic specimen, is available. HC from prostatic origin is unusual and has only rarely been characterized by cytology. Herein we present an 86‐year‐old male with history of castration‐resistant prostate cancer developing a left adrenal gland nodule. Fine needle aspiration revealed a poorly differentiated malignant neoplasm diagnosed as metastatic hepatoid prostatic adenocarcinoma based on immunohistochemistry (positive for HepPar1, AFP, NKX3.1, PSMA, and Racemase; and negative for CK7, CK20, cytokeratin 34betaE12, p63, and Arg‐1). Because prostatic carcinoma with hepatoid features is rare, and the patient had failed standard therapy, next generation sequencing was performed in an attempt to identify druggable molecular targets. Well‐known prostate carcinoma‐related alterations were found in three genes (CDK12, AR, and SPOP). In addition, three variants of uncertain significance (DDR2 R128C, SRC P428L, and HNRNPU K574Sfs*32) were identified, which to the best of our knowledge have not been previously reported. Our results support the power of an immunohistochemistry panel including Arg‐1 and HepPar1 when HC is suspected, and highlight the value of cytology for comprehensive diagnostic evaluation.