bluuebunny/crossref_metadata_2025_split huggingface dataset:
Natural Clay‐Based Materials for Energy Storage and Conversion Applications
Authors: Lan Ye , Liu Yiyang , Li Jianwei , Chen Dajun , He Guanjie , Parkin Ivan P. 
Published: March 2021

AbstractAmong various energy storage and conversion materials, functionalized natural clays display significant potentials as electrodes, electrolytes, separators, and nanofillers in energy storage and conversion devices. Natural clays have porous structures, tunable specific surface areas, remarkable thermal and mechanical stabilities, abundant reserves, and cost‐effectiveness. In addition, natural clays deliver the advantages of high ionic conductivity and hydrophilicity, which are beneficial properties for solid‐state electrolytes. This review article provides an overview toward the recent advancements in natural clay‐based energy materials. First, it comprehensively summarizes the structure, classification, and chemical modification methods of natural clays to make them suitable in energy storage and conversion devices. Then, the particular attention is focused on the application of clays in the fields of lithium‐ion batteries, lithium–sulfur batteries, zinc‐ion batteries, chloride‐ion batteries, supercapacitors, solar cells, and fuel cells. Finally, the possible future research directions are provided for natural clays as energy materials. This review aims at facilitating the rapid developments of natural clay‐based energy materials through a fruitful discussion from inorganic and materials chemistry aspects, and also promotes the broad sphere of clay‐based materials for other utilization, such as effluent treatment, heavy metal removal, and environmental remediation.
Polycrystalline and Single Crystalline NCM Cathode Materials—Quantifying Particle Cracking, Active Surface Area, and Lithium Diffusion
Authors: Trevisanello Enrico , Ruess Raffael , Conforto Gioele , Richter Felix H. , Janek Jürgen 
Published: March 2021

AbstractRepresentatives of the LixNi1−y−zCoyMnzO2 (NCM) family of cathode active materials (CAMs) with high nickel content are becoming the CAM of choice for high performance lithium‐ion batteries. In addition to high specific capacities, these layered oxides offer high specific energy, power, and long cycle life. Recently, the development of single crystalline particles of NCM has enabled even longer lifetimes due to achieving higher Coulomb efficiencies. In this work, the performance of NCM materials with different particle size and morphology is explored in terms of key parameters such as the charge‐transfer resistance and the chemical diffusion coefficient of lithium. Cracking of secondary particles leads to liquid electrolyte infiltration in the CAM, lowering the charge‐transfer resistance and increasing the apparent diffusion coefficient by more than one order of magnitude. In contrast, these effects are not observed with single‐crystalline NCM, which is mostly free of cracks after cycling. Consequently, severe kinetic limitations are observed when cycling large “uncracked” secondary particles at low potential and capacity. These results demonstrate that cracking of polycrystalline particles of NCM is not solely detrimental but helps to achieve high reversible capacities and rate capability. Thus, optimization of CAMs size and morphology is decisive to achieve good rate capability with high‐nickel NCMs.
Data‐Driven Safety Risk Prediction of Lithium‐Ion Battery
Authors: Jia Yikai , Li Jiani , Yuan Chunhao , Gao Xiang , Yao Weiran , Lee Minwoo , Xu Jun 
Published: March 2021

AbstractInevitable safety issues have pushed battery engineers to become more conservative in battery system design; however, battery‐involved accidents still frequently are reported in headlines. Identifying, understanding, and predicting safety risks have become priorities to further accelerate technology and industry development. However, diverse loading scenarios, significantly varied stress‐induced short circuit mechanisms, and highly coupled mechanical–electrochemical safety behaviors have remained grand challenges. Herein, the safety risk is termed as the probability of the mechanical triggering of an internal short circuit, to reflect the safety related behaviors of lithium‐ion batteries. Based on a mechanical model and experimental results, a sufficient dataset is generated consisting of strain states and their corresponding safety risks, covering both cylindrical and pouch cells, various states of charges, and loading conditions. Machine‐learning tools combined with the established finite element mechanical model are applied to predict the safety risks of the cells. The results achieve a high level of accuracy on the test data (the relative error of the average short circuit prediction deviation is less than 6.2%.). This work underpins the safety risk concept and highlights the promise of physics combined with data‐driven modeling methodology to predict the safety behaviors of energy storage systems.
Challenges to the Success of Commercial Organic Photovoltaic Products
Authors: Moser Maximilian , Wadsworth Andrew , Gasparini Nicola , McCulloch Iain 
Published: March 2021

AbstractRecent advances in the development of organic photovoltaic (OPV) materials has led to significant improvements in device performance; now closing in on the 20% efficiency threshold. Despite these improvements in performance, the commercial viability of organic photovoltaic products remains elusive. In this perspective, the current limitations of high performing blends are uncovered, particularly focusing on the industrial upscaling considerations of these materials, such as synthetic scalability, active layer processing, and device stability. Moreover, a simplified metric, namely, the scalability factor (SF), is introduced to evaluate the scale‐up potential of specific OPV materials and blends thereof. Of the most popular molecular design strategies investigated in recent times, it is found that the use of Y‐series nonfullerene acceptors (NFAs) and synthetically simple materials, such as PTQ‐10 and ternary blends, are most effective at maximizing the efficiency without negatively impacting the SF. Furthermore, the improvements that are needed, in terms of device processability and stability, are considered for industrial scale‐up and final product application. Finally, an outlook of organic photovoltaics is provided both from a perspective of important research avenues and applications that can be exploited.
Tailoring the Dimensionality of Hybrid Perovskites in Mesoporous Carbon Electrodes for Type‐II Band Alignment and Enhanced Performance of Printable Hole‐Conductor‐Free Perovskite Solar Cells
Authors: Chen Xiayan , Xia Yongkang , Huang Qingyi , Li Zhe , Mei Anyi , Hu Yue , Wang Ti , Cheacharoen Rongrong , Rong Yaoguang , Han Hongwei 
Published: March 2021

AbstractPrintable hole‐conductor‐free perovskite solar cells (PSCs) have attracted intensive research attention due to their high stability and simple manufacturing process. However, the cells have suffered severe potential loss in the absence of the hole transporting layer. The dimensionality of the perovskite absorber in the mesoporous carbon electrodes by conducting post‐treatments is reduced. The low‐dimensional perovskites possess wide‐bandgaps and form type‐II band alignment, favoring directional charge transportation and thus enhancing the device performance. For the cells using MAPbI3 (MA = methylammonium) as the light absorber, the open‐circuit voltage (VOC) is significantly enhanced from 0.92 to 0.98 V after posttreatment, delivering an overall efficiency of 16.24%. For the cells based on FAPbI3 (FA = formamadinium), a high efficiency of 17.47% is achieved with VOC of 1.02 V, which are both the highest reported values for printable hole‐conductor‐free PSCs. This strategy provides a facile method for tuning the energy level alignment for mesoscopic perovskite‐based optoelectronics.
3D Confinement Strategy for Dendrite‐Free Sodium Metal Batteries
Authors: Li Zhaopeng , Zhu Kunjie , Liu Pei , Jiao Lifang 
Published: March 2021

AbstractSodium metal batteries (SMBs) are attracting extensive attention for large‐scale energy storage due to the abundant reserves and low cost of sodium. However, the inevitable side reactions and uncontrollable dendrite growth in SMBs result in a continuous deterioration of the electrochemical performance and induce serious safety concerns, which severely restrict its practical application in the future. Among various improvement strategies, the 3D confinement strategy demonstrates great potential for stabilizing the Na anode owing to its optimized ion/electron transportation, lower deposition overpotential, and superior structural stability. Herein, first, the recent progress in SMBs which use the 3D confinement strategy to improve the electrochemical cycling stability of Na anode are outlined, and the potential regulation mechanism, including the transport/deposition behavior of Na+, interface engineering, and some advanced characterization techniques, are summarized. Furthermore, critical challenges and new perspectives are emphasized in detail. This review provides a deeper insight to enable construct ion of more comprehensive and effective Na metal anodes for advanced SMBs.
The political economy of COVID‐19
Authors: Kaplan Scott , Lefler Jacob , Zilberman David 
Published: March 2021

AbstractWe assess the economic and health costs of COVID and policy responses to COVID. Based on initial estimates of health and economic costs, social distancing policies were justified, but these estimates now seem too high because of learning by doing. Significant differences in mortality rates across US states and countries can be explained by population density, climate, exposure, and policy. Regions that were able to contain the disease early have seen fewer deaths and lower economic losses. Some developing countries initially imposed drastic, costly measures, perhaps motivated by political economy. We also find that there has been underinvestment in prevention and mitigation that could have reduced the cost of adaptation and suggest that there is a lesson for climate change policies.
Determining site occupancy of acetaminophen covalent binding to target proteins in vitro
Authors: Geib Timon , Lento Cristina , Marensi Vanessa , Thulasingam Madhuranayaki , Haeggström Jesper Z. , Olsson Magnus , Wilson Derek J. , Leslie Elaine M. , Sleno Lekha 
Published: March 2021

AbstractAcetaminophen (APAP)‐related toxicity is caused by the formation of N‐acetyl p‐benzoquinone imine (NAPQI), a reactive metabolite able to covalently bind to protein thiols. A targeted liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) method, using multiple reaction monitoring (MRM), was developed to measure APAP binding on selected target proteins, including glutathione S‐transferases (GSTs). In vitro incubations with CYP3A4 were performed to form APAP in the presence of different proteins, including four purified GST isozymes. A custom alkylation agent was used to prepare heavy labeled modified protein containing a structural isomer of APAP on all cysteine residues for isotope dilution. APAP incubations were spiked with heavy labeled protein, digested with either trypsin or pepsin, followed by peptide fractionation by HPLC prior to LC‐MRM analysis. Relative site occupancy on the protein‐level was used for comparing levels of modification of different sites in target proteins, after validation of protein and peptide‐level relative quantitation using human serum albumin as a model system. In total, seven modification sites were quantified, namely Cys115 and 174 in GSTM2, Cys15, 48 and 170 in GSTP1, and Cys50 in human MGST1 and rat MGST1. In addition, APAP site occupancies of three proteins from liver microsomes were also quantified by using heavily labeled microsomes spiked into APAP microsomal incubations. A novel approach employing an isotope‐labeled alkylation reagent was used to determine site occupancies on multiple protein thiols.
Impact of the upper/lower furnace depth ratio on the strengthened low‐NOx combustion performance in a two‐stage W‐shaped flame furnace
Authors: Zhao Xiaojuan , Kuang Min , Liu Sheng , Wu Haiqian , Wang Xiu , Du Lin 
Published: March 2021

AbstractFor achieving the strengthened low‐NOx combustion plus high burnout in W‐shaped flame furnaces, a cascade‐arch low‐NOx and high‐burnout configuration (CLHC) is realized by positioning two burner layers in a 600 MWe furnace. The gas/particle flow, combustion, and NOx emission characteristics in the furnace are numerically evaluated at four upper/lower furnace depth ratios of CW = 0.458, 0.500, 0.529, and 0.558 (CW signifying the furnace throat shrinkage level) so as to disclose the impact of the furnace throat shrinkage level on the overall furnace performance and meanwhile establish an available CW setup. Increasing CW initially updates but then deteriorates the low‐NOx combustion performance. At the narrowest CW = 0.485 setup, the gained slightly asymmetric combustion shows relatively lower burnout loss but higher NOx emissions, while the widest CW = 0.558 setup forms severely asymmetric combustion with apparently raised carbon in fly ash but relatively lower NOx emissions. At moderate setups of CW = 0.500 and 0.529, a symmetrical combustion pattern develops, showing the low‐NOx and high‐burnout performance characterized as NOx emissions of 700–707 mg/m3 (6% O2) and carbon content in fly ash of 5.4–5.5%. In comparison to CW = 0.500, the larger downward flame penetration, higher flame fullness, and lower CO emission at CW = 0.529 suggest that a reasonable upper/lower furnace depth ratio prefers CW = 0.529. Compared with a currently advanced low‐NOx combustion technology, the CLHC lowers again NOx emissions by about 200 mg/m3 (6% O2) while maintaining high burnout, which confirms the CLHC's availability.
Ionic liquid modified graphene oxide for enhanced flame retardancy and mechanical properties of epoxy resin
Authors: Wan Mei , Shen Jiahui , Sun Chunfeng , Gao Ming , Yue Lina , Wang Yuxin 
Published: March 2021

AbstractIn this work, to improve its dispersion and flame retardancy, graphene oxide (GO) was functionalized by silane coupling agent KH550 and 1‐butyl‐3‐methylimidazole hexafluorophosphate (PF6‐ILs), and characteristics of the PF6‐ILs@GO was obtained by transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), and thermogravimetric analysis (TGA). Then, the synergistic flame retardant of GO or PF6‐ILs@GO and melamine pyrophosphate (MPP) were applied for epoxy resin (EP) materials. Specifically, the limiting oxygen index (LOI) value of EP with 0.1 wt% PF6‐ILs@GO was increased to 29.2% from 27.5% of EP/MPP composites, and the UL‐94 test reached the V‐0 rating. The CCT results showed that the total heat release (THR) and total smoke release (TSP) of EP/MPP/PF6‐ILs@GO composites were significantly 24.4% and 53.4% lower than that of EP/MPP composites. Besides, the thermal behavior investigated by TGA indicated that the char‐forming effect of GO and PF6‐ILs@GO was great, the residual char of EP/MPP/PF6‐ILs@GO composites was as high as 19.5% at 700°C, and its thermal stability was higher than that of EP/MPP composites. On the other hand, the tensile strength of EP/MPP/GO and EP/MPP/PF6‐ILs@GO composites were increased by 15.6% and 28.3% compared with EP/MPP composites. According to SEM analysis, the EP/MPP/GO composites formed a good protective char layer, which can effectively improve flame retardancy of EP. This research represents a new method of flame retardant modified GO to improve the flame retardancy and mechanical properties of polymers.
Detection of Urinary Albumin Using a “Turn‐on” Fluorescent Probe with Aggregation‐Induced Emission Characteristics
Authors: Hu Qi , Yao Bicheng , Owyong Tze Cin , Prashanth Sharon , Wang Changyu , Zhang Xinyi , Wong Wallace W. H. , Tang Youhong , Hong Yuning 
Published: March 2021

AbstractHuman serum albumin (HSA) is a broadly used biomarker for the diagnosis of various diseases such as chronic kidney disease. Here, a fluorescent probe TC426 with aggregation‐induced emission (AIE) characteristics is reported as a sensitive and specific probe for HSA. This probe is non‐emissive in aqueous solution, meanwhile it shows bright fluorescence upon interacting with HSA, which makes it applicable in detecting HSA with a high signal to noise ratio. Besides, the fluorescence of TC426 exhibits a high linear correlation with the concentration of albumin in the range of microalbumin (20–200 mg/L), which has a significant importance for the early diagnosis of glomerulus related diseases. Compared with previously reported HSA probes TPE‐4TA and BSPOTPE, TC426 shows comparable anti‐interference ability towards creatinine and other major components in urine but is excited by a longer excitation wavelength at the visible light range. Finally, with the established assay, TC426 shows excellent performance in detecting HSA in real human urine, indicating its great potential in practical urinalysis.
A lost generation? The impact of the COVID‐19 pandemic on early career ASD researchers
Authors: Harrop Clare , Bal Vanessa , Carpenter Kimberly , Halladay Alycia 
Published: March 2021

AbstractThe COVID‐19 pandemic has disrupted autism research and services. Early career researchers (ECRs) are particularly vulnerable to the impact of the pandemic on job security and career development. The goal of this study was to capture the challenges ECRs are facing during the pandemic and the supports that are needed for career development and research. ECRs were invited to complete an online survey that focused on four major areas; the impact of COVID‐19 on their research; changes in productivity due to COVID‐19; changes to training due to COVID‐19; and current mental health. 150 ECRs were eligible and provided sufficient data for inclusion. All but one ECRs reported their research had been negatively impacted by the pandemic. Reductions in productivity were reported by 85% of ECRs. The biggest impacts included recruitment of participants, increased needs at home and personal mental health. ECRs reported a 3‐fold increase in burnout, as well as increased anxiety. ECR supports, such as funding, flexibility, and tenure extensions, are required to ensure ASD research does not suffer from a “lost generation” of researchers.Lay SummaryThe COVID‐19 pandemic has had negative impacts on research around the world. Loss of productivity impedes autism research discoveries. However, researchers in the earliest phases of their career, specifically postdoctoral fellows through individuals in assistant professor (or equivalent) positions, are particularly vulnerable to long‐lasting effects of pandemic‐related disruptions which may limit their ability to continue as autism researchers. This survey highlights the needs of this group and identifies mechanisms by which these early career researchers may be supported in this time. This is critical to ensure the next generation of ASD researchers and clinician scientists continue on the path to advancing understanding of autism in the decades to come.
A comprehensive review on anticancer mechanism of bazedoxifene
Authors: Zafar Erum , Maqbool Muhammad Faisal , Iqbal Asia , Maryam Amara , Shakir Hafiz Abdullah , Irfan Muhammad , Khan Muhammad , Li Yongming , Ma Tonghui 
Published: March 2021

AbstractCancer is counted as a second leading cause of death among nontransmissible diseases. Identification of novel anticancer drugs is therefore necessary for the effective treatment of cancer. Conventional drug discovery is time consuming and expensive process. Unlike conventional drug discovery, drug repositioning offers a novel strategy for urgent drug discovery since it is a cost‐effective and faster process. Bazedoxifene (BZA) is a synthetic selective estrogen receptor modulator, approved by the United States Food and Drug Administration for the treatment of osteoporosis in postmenopausal women. BZA is now being studied for its anticancer activity in various cancers including breast cancer, liver cancer, pancreatic cancer, colon cancer, head and neck cancer, medulloblastoma, brain cancer, and gastrointestinal cancer. Studies have reported that BZA is effective in reducing cancer progression through multiple mechanisms. BZA could effectively inhibit STAT3, PI3K/AKT, and MAPK signaling pathways and induce apoptosis. In addition to its anticancer activity as monotherapy, BZA has been shown to enhance the chemotherapeutic efficacy of clinical drugs such as paclitaxel, cisplatin, palbociclib, and oxaliplatin in multiple neoplasms. This review mainly focused on the anticancer activity, cellular targets, and anticancer mechanism of BZA, which may help the further design and conduct of research and repositioning it for oncological clinic trials.
In Situ Synchrotron X‐Ray Absorption Spectroscopy Studies of Anode Materials for Rechargeable Batteries
Authors: Wu Zhibin , Kong Pang Wei , Chen Libao , Johannessen Bernt , Guo Zaiping 
Published: March 2021

AbstractTaking advantage of a high‐flux light source, synchrotron X‐ray absorption spectroscopy (XAS) beamline is able to perform in situ/ex situ, element‐selective, and qualitative/quantitative experiments to elucidate electrochemical reaction mechanisms of batteries accurately and efficiently. In situ synchrotron XAS probes dynamic electronic and local atomic structure information, including valence state, charge transfer, local geometry and symmetry, bond number/length/type and disorder degree, of target elements of significance during battery operation, which facilitates to promote the development of rechargeable batteries by building accurate structure‐performance relationships fundamentally. In this review, the basic principles for XAS are briefly introduced, design strategies for in situ XAS experiments are proposed, salient in situ XAS studies of battery anodes are summarized, and current challenges and future opportunities based on XAS measurements are also outlined.
Effect of organic solvents on solvatochromic, fluorescence, and electrochemical properties of synthesized thiazolylcoumarin derivatives
Authors: Bahadur Ali , Iqbal Shahid , Ujan Rabail , Channar Pervaiz Ali , AL‐Anazy Murefah Mana , Saeed Aamer , Mahmood Qaiser , Shoaib Muhammad , Shah Mazloom , Arshad Ifzan , Shabir Ghulam , Saifullah Muhammad , Liu Guocong , Qayyum Muhammad Abdul 
Published: March 2021

AbstractIn this present investigation, thiazolylcoumarin derivatives (5a–5k) were synthesized from thiosemicarbazide, ethyl acetoacetate, and naphthaldehyde through a multistep route. The formation of thiazolylcoumarin derivatives with bioactive scaffolds was confirmed through nuclear magnetic resonance spectroscopy. A solvatochromic study of synthesized thiazolylcoumarin derivatives was carried out using ultraviolet–visible methods for dimethylformamide (DMF), ethyl acetate, and ethanol solvents. The redox behaviour of as‐synthesized thiazolylcoumarin derivatives (5a–5k) was examined in dimethyl sulphoxide by conducting an electrochemical study. Fluorescence properties of thiazolylcoumarin derivatives were studied in DMF, ethanol, and ethyl acetate to visualize the solvent effect on the emitting ability of thiazolylcoumarin derivatives.