bluuebunny/crossref_metadata_2025 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

Commercial 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

New 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.
Enatioselective Rotation of Chiral Particles by Azimuthally Polarized Beams
Authors: Li Manman , Chen Xu , Yan Shaohui , Zhang Yanan , Yao Baoli
Published: June 2022

The chirality‐dependent forces can offer new possibilities for passive optical separation and identification of chiral particles, which opens great opportunities to develop the technologies of pharmaceutics, chemicals, and biomedicine. Here, a robust enantioselective rotation of subwavelength chiral particles using lateral optical forces induced by a tightly focused azimuthally polarized beam is demonstrated. Although this focused field carries neither optical orbital angular momentum nor optical chirality, the lateral optical force can rotate the particle with opposite chirality around opposite directions, achieving an effective optical enantioseparation. Such a counterintuitive phenomenon is closely related to the transformation of the magnetic spin angular momentum of the focused field into the mechanical orbital angular momentum of the particle. In addition, the particle with different chirality parameters will be trapped in different orbits while with opposite chirality trapped in the same orbit, meanwhile its rotation direction is determined by the sign of the chirality parameter, which can realize an efficient chiral identification of single particles. The investigations may open up a new path toward light‐induced rotation or probing of objects with different chirality parameters.
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

Aryl 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.

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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

Graphitic 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

Three‐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

Decades 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

Amitriptyline 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

A 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

Mg‐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

Invited 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

Detecting 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

Chemical‐ 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

Bioactive 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

Clinical 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

Using 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

Climate 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

Hepatoid 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.
Efficient Environment‐friendly Lead‐free Tin Perovskite Solar Cells Enabled by Incorporating 4‐Fluorobenzylammonium Iodide Additives
Authors: Zou Shengli , Ren Shengqiang , Jiang Yiting , Huang Yuanfang , Wang Wenwu , Wang Changlei , Chen Cong , Hao Xia , Wu Lili , Zhang Jingquan , Zhao Dewei
Published: June 2022

Development of tin (Sn)‐based perovskite solar cells (PSCs) largely lags behind that of lead counterparts due to fast crystallization process of Sn perovskite and numerous defects in both bulk and surface of Sn perovskite films. Herein, this work reports a facile strategy of introducing 4‐fluorobenzylammonium iodide (FBZAI) as additives into Sn perovskite precursor to synergistically modulate the roles of benzylamine and fluorine in Sn‐based PSCs. Incorporation of FBZAI can increase crystallinity, passivate defects, and inhibit the oxidation of Sn2+, leading to suppression of nonradiative recombination and enhancement of charge transport and collection in devices. As a result, the best‐performing Sn‐based PSC with the FBZAI additive achieves the maximum PCE of 13.85% with the enhanced fill factor of 77.8% and open‐circuit voltage of 0.778 V. Our unencapsulated device exhibits good stability by maintaining 95% of its initial PCE after 160 days of storage.
I2/TBHP Reagent System: A Modern Paradigm for Organic Transformations**
Authors: Slathia Nancy , Gupta Annah , Kapoor Kamal K.
Published: June 2022

Molecular iodine in combination with TBHP offers an advanced concept for organic synthesis and catalysis by improving the selectivity and sustainability of organic transformations. It leads to the development of metal free greener protocols under ambient conditions either as a catalytic duo or as a reagent system in combination with an additive. The advent of this indispensable tool led to formation of complex organic architectures empowering novel reaction pathways through C−H functionalization, cyclization, cycloaddition, rearrangement, sulfonylation/sulfenylation and oxidation reactions in organic synthesis.
A Composite Fiber Separator with Reversible Thermal Shutdown for Safety of Lithium‐Ion Batteries
Authors: Gao Tingting , Tian Peng , Yang Yongyu , Xu Qianjin , Pang Hongchang , Ye Junwei , Ning Guiling
Published: June 2022

Commercial lithium‐ion battery separators suffer from low porosity, inferior wettability, and poor thermal stability. It is essential to develop separators with better thermal stability and electrolyte uptake to improve the performance and safety of lithium‐ion batteries. Herein, the belt‐like boehmite (AA‐BM) is synthesized and used in the separators as inorganic reinforcing material. Electrospinning technology is utilized to prepare multifunctional AA‐BM/polyacrylonitrile (PAN) separators. As a result, the AA‐BM/PAN separators demonstrate high porosity, low contact angle, excessive electrolyte uptake, and excellent thermal shrinkage. The AA‐BM/PAN separators are assembled into half‐cells (LiFePO4//separator//Li). AA‐BM/PAN separators show superb thermal stability at high temperatures and excellent reversible thermal shutdown performance. In addition, Li//Li batteries show that the PAN separators of boehmite compound can effectively inhibit the growth of lithium dendrite and improve the safety of batteries.
Simple and high‐performance cell balancing control strategy
Authors: Chen Zilong , Liao Wenjun , Li Pingfei , Tan Jinhui , Chen Yuping
Published: June 2022

The basis for judging whether the battery pack is balanced is generally whether the voltage of the battery cell is consistent because the voltage of the battery cell is very easy to obtain. However, when the voltage of battery cells is the same and the battery management system (BMS) turns off the equalization, it will get poor balance performance. In this paper, a new balancing strategy is proposed, while the calculated state of charge (SOC) difference between the battery cells instead of the voltage reaches the set value, the BMS turns on or off, and the difference in the SOC between battery cells is obtained by adding a small amount of calculation to the difference in voltage between battery cells, due to the long balancing time of the battery, the battery will enter a steady state at the end of balancing, based on the voltage difference of battery cell, the voltage drop generated by the balancing current on the ohmic resistance and polarization resistance is added, combined with the open circuit voltage (OCV)‐SOC curve, the difference in battery voltage can be indirectly converted into a difference in SOC. This strategy will appropriately delay the battery balancing time to make up for the drop in the voltage of the balanced battery cell after the BMS turns off the balancing. In this paper, the proposed strategy and performance are analyzed in detail, the experimental platform is designed to verify, and the battery pack is tested under static and discharge conditions. Although the equalization goal is the same voltage between battery cells, using the voltage‐based equalization strategy, the voltage difference between the battery cells is 8 and 6 mV, respectively, while the strategy proposed in this paper is 2 and 3 mV, which has better performance.
Research on the monthly fluctuation of natural gas demand in China
Authors: Du Xueping , Qiu Shuo , Wu Jiangtao , Meng Xianyang
Published: June 2022

With the rapid growth of natural gas consumption in China, the monthly peak shaving and security issues of the gas supply have become increasingly prominent. In view of this situation, the monthly fluctuation law of natural gas consumption in China must be studied to guide gas storage peak shaving and gas supply planning. In this study, the concepts of the gas year (statistical method of breaking through the calendar year to gas year and reflecting the complete gas consumption cycle), typical year (the year that had the representative load curve of China), and some fluctuation characteristics parameters were applied to study the monthly fluctuation law of natural gas consumption in China. Furthermore, according to the monthly statistical data of China, including natural gas demand, power generation, crude steel output, refined copper output, the monthly average temperature in the typical city, the relationship between influencing factors and natural gas demand was analyzed by the gray relative correlation method. Based on the stepwise regression Cobb–Douglas (C–D) production function, the natural gas demand of China in the gas year of 2030/31 was predicted. The research results can be used for energy planning, statistics, peak shaving of gas storage, liquefied natural gas trade, and can also be used as a reference for energy big data analysis and refined management.
Statistical power of transcriptome‐wide association studies
Authors: He Ruoyu , Xue Haoran , Pan Wei ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: June 2022

Transcriptome‐Wide Association Studies (TWASs) have become increasingly popular in identifying genes (or other endophenotypes or exposures) associated with complex traits. In TWAS, one first builds a predictive model for gene expressions using an expression quantitative trait loci (eQTL) data set in stage 1, then tests the association between the predicted gene expression and a trait based on a large, independent genome‐wide association study (GWAS) data set in stage 2. However, since the sample size of the eQTL data set is usually small and the coefficient of multiple determination (i.e., ) of the model for many genes is also small, a question of interest is to what extent these factors affect the statistical power of TWAS. In addition, in contrast to a standard (univariate) TWAS (UV‐TWAS) considering only a single gene at a time, multivariate TWAS (MV‐TWAS) methods have recently emerged to account for the effects of multiple genes, or a gene's nonlinear effects, simultaneously. With the absence of the power analysis for these MV‐TWAS methods, it would be of interest to investigate whether one can gain or lose power by using the newly proposed MV‐TWAS instead of UV‐TWAS. In this paper, we first outline a general method for sample size/power calculations for two‐sample TWAS, then use real data—the Alzheimer's Disease Neuroimaging Initiative (ADNI) expression quantitative trait loci (eQTL) data and the Genotype‐Tissue Expression (GTEx) eQTL data for stage 1, the International Genomics of Alzheimer's Project Alzheimer's disease (AD) GWAS summary data and UK Biobank (UKB) individual‐level data for stage 2—to empirically address these questions. Our most important conclusions are the following. First, a sample size of a few thousands (~8000) would suffice in stage 1, where the power of TWAS would be more determined by cis‐heritability of gene expression. Second, as in the general case of simple regression versus multiple regression, the power of MV‐TWAS may be higher or lower than that of UV‐TWAS, depending on the specific relationships among the GWAS trait and multiple genes (or linear and nonlinear terms of the same gene's expression levels), such as their correlations and effect sizes. Interestingly, several top genes with large power gains in MV‐TWAS (over that in UV‐TWAS) were known to be (and in our data more significantly) associated with AD. We also reached similar conclusions in an application to the GTEx whole blood gene expression data and UKB GWAS data of high‐density lipoprotein cholesterol. The proposed method and the conclusions are expected to be useful in planning and designing future TWAS and other related studies (e.g., Proteome‐ or Metabolome‐Wide Association Studies) when determining the sample sizes for the two stages.
Incidence and mortality of alcohol‐related dementia and Wernicke‐Korsakoff syndrome: A nationwide register study
Authors: Palm Anniina , Vataja Risto , Talaslahti Tiina , Ginters Milena , Kautiainen Hannu , Elonheimo Henrik , Suvisaari Jaana , Lindberg Nina , Koponen Hannu
Published: June 2022

Background

Epidemiological data on alcohol‐related cognitive disorders are scarce. Up‐to‐date population‐based incidence and mortality rates for Wernicke‐Korsakoff syndrome (WKS) and alcohol‐related dementia (ARD) are necessary to understand the burden of these diseases.

Methods

We collected diagnostic data from the Finnish Hospital Discharge Register and mortality data from Statistics Finland for all persons aged ≥40 years who had received a diagnosis of WKS (n = 1149) or ARD (n = 2432) between 1998 and 2015 in Finland. We calculated the incidences and mortality in relation to the age‐, sex‐ and calendar year‐matched general population. Causes of death were ascertained from death certificates.

Results

For WKS, the incidence per 100,000 person‐years (95% confidence interval (CI)) was 3.7 (3.4–3.9) in men and 1.2 (1.1–1.3) in women. For ARD, the incidence was 8.2 (7.9–8.6) in men and 2.1 (1.9–2.3) in women. The incidence of WKS peaked in people aged 50–59 years and the incidence of ARD in people aged 70–79 years. The standardized mortality ratio (95% CI) was 5.67 (5.25–6.13) in WKS patients and 5.41 (5.14–5.70) in ARD patients. Most of the excess mortality resulted from alcohol‐related causes.

Conclusions

To our knowledge, this is the first study describing population‐based incidence and mortality rates, sex‐segregated data and causes of death in patients with WKS or ARD. Our results establish a point of reference for the incidence of WKS and ARD and show the high mortality and poor prognosis of these disorders.
Exploring the potential of exosomes in diagnosis and drug delivery for pancreatic ductal adenocarcinoma
Authors: Xu Biaoming , Chen Yu , Peng Mingjing , Zheng Jin Hai , Zuo Chaohui
Published: June 2022

Pancreatic cancer (PC) is a cancer of the digestive system, and pancreatic ductal adenocarcinoma (PDAC) accounts for approximately 90% of all PC cases. Exosomes derived from PDAC (PDAC‐exosomes) promote PDAC development and metastasis. Exosomes are nanoscale vesicles secreted by most cells, which can carry biologically active molecules and mediate communication and cargo transportation among cells. Recent studies have focused on transforming exosomes into good drug delivery systems (DDSs) to improve the clinical treatment of PDAC. This review considers PDAC as the main research object to introduce the role of PDAC‐exosomes in PDAC development and metastasis. This review focuses on the following two themes: (a) the great potential of PDAC‐exosomes as new diagnostic markers for PDAC, and (b) the transformation of exosomes into potential DDSs.
Following the density evolution using real time density functional theory and density based indexes: Application to model push–pull molecules
Authors: Korsaye Feven Alemu , de la Lande Aurélien , Ciofini Ilaria
Published: June 2022

Considering as test case a family of organic rod like push–pull molecules, we derived and applied density based index enabling the description and diagnostic of the electronic density evolution in real time‐time dependent density functional theory (RT‐TDDFT) simulations. In particular, both the charge transfer (CT) distance and a diagnostic index, the DCTand MACRTrespectively, were computed on the fly from the density distribution obtained at a given time and the reference ground state density and their mean values were compared with what obtained at Linear Response‐TDDFT level. Besides giving a way of analyzing the density redistribution occurring in time, these tools allowed to show how RT‐TDDFT, which is definitely a powerful method to model the evolution of the density in CT or charge separation processes, can be affected by the same artifacts known for LR‐TDDFT approaches and, particularly, to those related to the use of approximate exchange correlation functionals. The analysis here performed allowed to identify and discard on fly the electronic configurations corresponding to spurious situations.
Bonding situations in tricoordinated beryllium phenyl complexes
Authors: Thomas‐Hargreaves Lewis R. , Liu Yu‐Qian , Cui Zhong‐Hua , Pan Sudip , Buchner Magnus R.
Published: June 2022

The bonding situation in the tricoordinated beryllium phenyl complexes [BePh3]−, [(pyridine)BePh2] and [(trimethylsilyl‐N‐heterocyclic imine)BePh2] is investigated experimentally and computationally. Comparison of the NMR spectroscopic properties of these complexes and of their structural parameters, which were determined by single crystal X‐ray diffraction experiments, indicates the presence of π‐interactions. Topology analysis of the electron density reveals elliptical electron density distributions at the bond critical points and the double bond character of the beryllium‐element bonds is verified by energy decomposition analysis with the combination of natural orbital for chemical valence. The present beryllium‐element bonds are highly polarized and the ligands around the central atom have a strong influence on the degree of π‐delocalization. These results are compared to related triarylboranes.
Combined fibre atrophy and decreased muscle regeneration capacity driven by mitochondrial DNA alterations underlie the development of sarcopenia
Authors: Kimoloi Sammy , Sen Ayesha , Guenther Stefan , Braun Thomas , Brügmann Tobias , Sasse Philipp , Wiesner Rudolf J. , Pla‐Martín David , Baris Olivier R.
Published: June 2022

Background

Mitochondrial dysfunction caused by mitochondrial (mtDNA) deletions have been associated with skeletal muscle atrophy and myofibre loss. However, whether such defects occurring in myofibres cause sarcopenia is unclear. Also, the contribution of mtDNA alterations in muscle stem cells (MuSCs) to sarcopenia remains to be investigated.

Methods

We expressed a dominant‐negative variant of the mitochondrial helicase, which induces mtDNA alterations, specifically in differentiated myofibres (K320Eskm mice) and MuSCs (K320Emsc mice), respectively, and investigated their impact on muscle structure and function by immunohistochemistry, analysis of mtDNA and respiratory chain content, muscle transcriptome and functional tests.

Results

K320Eskm mice at 24 months of age had higher levels of mtDNA deletions compared with controls in soleus (SOL, 0.07673% vs. 0.00015%, P = 0.0167), extensor digitorum longus (EDL, 0.0649 vs. 0.000925, P = 0.0015) and gastrocnemius (GAS, 0.09353 vs. 0.000425, P = 0.0004). K320Eskm mice revealed a progressive increase in the proportion of cytochrome c oxidase deficient (COX−) fibres in skeletal muscle cross sections, reaching a maximum of 3.03%, 4.36%, 13.58%, and 17.08% in EDL, SOL, tibialis anterior (TA) and GAS, respectively. However, mice did not show accelerated loss of muscle mass, muscle strength or physical performance. Histological analyses revealed ragged red fibres but also stimulated regeneration, indicating activation of MuSCs. RNAseq demonstrated enhanced expression of genes associated with protein synthesis, but also degradation, as well as muscle fibre differentiation and cell proliferation. In contrast, 7 days after destruction by cardiotoxin, regenerating TA of K320Emsc mice showed 30% of COX− fibres. Notably, regenerated muscle showed dystrophic changes, increased fibrosis (2.5% vs. 1.6%, P = 0.0003), increased abundance of fat cells (2.76% vs. 0.23%, P = 0.0144) and reduced muscle mass (regenerated TA: 40.0 mg vs. 60.2 mg, P = 0.0171). In contrast to muscles from K320Eskm mice, freshly isolated MuSCs from aged K320Emsc mice were completely devoid of mtDNA alterations. However, after passaging, mtDNA copy number as well as respiratory chain subunits and p62 levels gradually decreased.

Conclusions

Taken together, accumulation of large‐scale mtDNA alterations in myofibres alone is not sufficient to cause sarcopenia. Expression of K320E‐Twinkle is tolerated in quiescent MuSCs, but progressively leads to mtDNA and respiratory chain depletion upon activation, in vivo and in vitro, possibly caused by an increased mitochondrial removal. Altogether, our results suggest that the accumulation of mtDNA alterations in myofibres activates regeneration during aging, which leads to sarcopenia if such alterations have expanded in MuSCs as well.
Direct demonstration of tautomeric nature of 4‐bromo‐3(5)‐methylpyrazoles
Authors: Aleksanyan Ashkharuhi G. , Hakobyan Robert M. , Shahkhatuni Aleksan G. , Shahkhatuni Astghik A. , Attaryan Hovhannes S.
Published: June 2022

Tautomerization is the key feature of pyrazoles, which is connected with the hydrogen transfer in pyrazoles between two nitrogens. It is scholarly accepted that tautomers of 3(5)‐substituted pyrazole derivatives cannot be isolated as individual compounds with the exception of certain extreme conditions. Here using the fact that N‐substitution suppresses tautomerization and allows their separation and isolation, the individual isomers of N‐propanoates of 3(5)‐pyrazole were synthesized, isolated, and further modified several times without change of initial 3‐or 5‐methyl configuration. However, once the group attached to the nitrogen was removed, two individual isomers gained back their tautomeric properties and became the same mixture of tautomers, as expected. Close monitoring by NMR spectroscopy vividly demonstrates the loss and then reverting of tautomeric properties of 3(5)‐pyrazole derivatives along the set of chemical transformations aimed at possible isolation of two tautomers. Failure to isolate them once again proves that the dynamic equilibrium of tautomers in solution is an inherent property of 3(5)‐methylpyrazole.
Dental manifestations in adult hypophosphatasia and their correlation with biomarkers
Authors: Sinha Priya , Gabor Rachel , Haupt‐Harrington Rachael , Deering Leila , Steiner Robert D.
Published: June 2022

Hypophosphatasia (HPP) is a genetic condition with broad clinical manifestations caused by alkaline phosphatase (ALP) deficiency. Adults with HPP exhibit a wide spectrum of signs and symptoms. Dental manifestations including premature tooth loss are common. Much of the published literature reporting dental manifestations consists of case reports and series of symptomatic patients, likely biased towards more severe dental manifestations. The objective of this study was to systematically explore the dental manifestations among adults with HPP by conducting a comprehensive dental evaluation. To minimize bias, the study explored dental manifestations in an unselected cohort of adults with HPP. Participants were identified searching electronic health record (EHR) data from a rural health system to discover adults with persistent ALP deficiency. Heterozygotes with pathogenic (P), likely pathogenic (LP), or uncertain variants (VUS) in ALPL and at least one elevated ALP substrate were defined as adults with HPP and underwent genetic, dental, oral radiographic, and biomarker evaluation. Twenty‐seven participants completed the study. Premature tooth loss was present in 63% (17/27); 19% (5/27) were missing eight or more teeth. Statistically significant associations were found between premature permanent tooth loss and HPP biomarkers ALP (p = 0.049) and bone‐specific ALP (p = 0.006). Serum ALP (ρ = −0.43, p = 0.037) and bone‐specific ALP (ρ = −0.57, p = 0.004) were negatively correlated with number of teeth lost prematurely. As noted with tooth loss, periodontal breakdown was associated with bone‐specific ALP. An inverse association between periodontal breakdown and bone‐specific ALP was observed (p = 0.014). These findings suggest a role for ALP in maintenance of dentition.
Whole blood analysis for medical diagnostics by GC‐MS with Cold EI
Authors: Neumark Benny , Elkabets Oneg , Shefer Gabi , Buch Assaf , Stern Naftali , Amirav Aviv
Published: June 2022

This study covers a new method and related instrumentation for whole blood analysis for medical diagnostics. Two‐μL whole blood samples were collected using “minimal invasive” diabetes lancet and placed on a thin glass rod mounted on a newly designed BloodProbe. The BloodProbe with the whole blood sample was inserted directly into a ChromatoProbe mounted on the GC inlet, and thus, no sample preparation was involved. The analysis was performed within 10 min using a GC‐MS with Cold EI that is based on interfacing GC and MS with supersonic molecular beams (SMB) along with electron ionization of vibrationally cold sample compounds in the SMB (hence the name Cold EI). Our blood analysis revealed several observations: (1) Detailed mass chromatograms were generated with full range of all the nonpolar lipids in blood including fatty acids, cholesterol, cholesteryl esters, vitamin E, monoglycerides, diglycerides, and triglycerides. (2) The analysis of whole blood was found to be as informative as the conventional clinical analysis of blood serum. (3) Cholesteryl esters were more sensitive than free cholesterol alone to the effect of diet of obese people. (4) Major enhancement of several fatty acid methyl esters was found in the blood of a cancer patient with liver dysfunction. (5) Vitamin E as both α‐ and β‐tocopherol was found with person‐dependent ratio of these two compounds. (6) Elemental sulfur S8 was identified in blood. (7) Several drugs and other compounds were found and need further study of their correlation to medical issues.