bluuebunny/crossref_metadata_2025_split huggingface dataset:
Present
LIB
Chemistries
Authors: Ogumi Zempachi , Arai Hajime , Abe Takeshi , Morita Masayuki 
Published: April 2020

Abstract
Typical materials used in commercial lithium‐ion batteries and their chemistries are focused in this article. Materials for positive and negative electrodes and electrolytes are separately discussed, paying attention on reactions between them. Selected new trends of these materials are also shortly added.

Several lithium‐containing (lithiated) compounds are introduced as the positive‐electrode active materials for present lithium‐ion batteries (LIBs), such as LiCoO
2
, LiNiO
2
, LiMn
2
O
4
, LiFePO
4
, and their derivatives. The properties of these materials are presented, including crystal structures, potential, capacity, rate capability, safety, and cost. Technologies applied to these materials for various applications are also shown.

Carbonaceous materials, lithium titanate, and silicon‐based materials have been employed as negative electrodes for LIBs. In particular, graphite has played a main role as a negative‐electrode material for 25 years. This is principally because of its high capacity, low potential, low cost, etc. Recently, small amounts of silicon‐based materials are mixed with graphite to enhance the volumetric energy density of LIBs. In addition, high‐potential negative electrode of lithium titanate has also been used since little electrolyte decomposition takes place, resulting in the long cycle lives of LIBs. These commercialized negative electrodes are discussed.
Electrolyte systems that have been proposed for and practically used in LIBs are surveyed. Those are categorized into several groups and their compositions and physicochemical properties are separately described. Each electrolyte system group has its own advantages and disadvantages as the LIB electrolytes. Contributions of the electrolyte composition to the battery performances are briefly discussed.
Mistakes on display: Incorrect examples refine equation solving and algebraic feature knowledge
Authors: Barbieri Christina Areizaga , Booth Julie L. 
Published: April 2020

SummaryAlthough findings from cognitive science have suggested learning benefits of confronting errors (Metcalfe, 2017), they are not often capitalized on in many mathematics classrooms (Tulis, 2013). The current study assessed the effects of examples focused on either common mathematical misconceptions and errors or correct concepts and procedures on algebraic feature knowledge and solving quadratic equations. Middle school algebra students (N = 206) were randomly assigned to four conditions. Two errorful conditions either displayed errors and asked students to explain or displayed correct solutions and primed students to reflect on potential errors by problem type. A correct example condition and problem‐solving control group were also included. Studying and explaining common errors displayed in incorrect examples improved equation‐solving ability. An aptitude‐by‐treatment interaction revealed that learners with limited understandings of algebraic features demonstrated greater benefits. Theoretical implications about using examples to promote learning from errors are considered in addition to suggestions for educational practice.
Diastereoisomer‐Induced Morphology Tunable Self‐Assembled Organic Microcrystals of Conjugated Molecules for Ultraviolet Laser
Authors: Liu Yuyu , Bo Yifan , Xie Xinmiao , Yan Yong , Xu Man , Ou Changjin , Zhang He , Xiao Chao , Yang Cheng , Yu Mengna , Xu Weifeng , Wang Shasha , Xie Linghai , Liu Wei , Xu Chunxiang , Lin Jinyi , Huang Wei 
Published: April 2020

AbstractPrecisely controlling self‐assembly behavior and micro/nanostructure morphology of conjugated materials is significant for constructing optoelectronic devices. Inspired by natural functional materials, molecular stereoisomerism strategy (MSS) is an effective and convenient means to tune their molecular arrangement and macroscopic property of conjugated materials. Herein, a supramolecular chiral difluorenols, 9,9′‐diphenyl‐9H,9′H‐[2,2′‐bifluorene]‐9,9′‐diol (DPFOH), is set as a desirable model to reveal the diastereomeric effects of conjugated molecules toward controlling the micro/nanostructure morphology and optoelectronic behavior for deep‐blue organic laser. Two diastereomers, raceme (rac)‐ and mesomer (meso)‐DPFOH, are obtained and unambiguously elucidated by X‐ray crystallography. It is common sense to observe the slight diastereomeric effects on photophysical properties and electrochemical characteristics in solution or pristine film state for the isotropic phase. Interestingly, as a consequent of the disparate multi‐dimensional intermolecular interaction, rac‐DPFOH molecule can self‐assemble into 1D rod‐shaped but rectangular plate‐shaped microcrystals for meso‐DPFOH. Impressively, rac‐DPFOH microrod presents a well‐defined emission with an excellent ultraviolet microlasing behavior at 398 nm, whereas the 2D microplate of meso‐DPFOH show a broad emission centered at 420 nm without gain processing. Therefore, MSS provides a new approach to design conjugated molecules and tune superstructure morphology for optoelectronic applications.
Molecular and Topographical Organization: Influence on Cicada Wing Wettability and Bactericidal Properties
Authors: Román‐Kustas Jessica , Hoffman Jacob B. , Reed Julian H. , Gonsalves Andrew E. , Oh Junho , Li Longnan , Hong Sungmin , Jo Kyoo D. , Dana Catherine E. , Miljkovic Nenad , Cropek Donald M. , Alleyne Marianne 
Published: April 2020

AbstractNumerous natural surfaces have micro/nanostructures that result in extraordinary functionality, such as superhydrophobicity, self‐cleaning, antifogging, and antimicrobial properties. One such example is the cicada wing, where differences in nanopillar geometry and composition among species can impact and influence the degree of exhibited properties. To understand the relationships between surface topography and chemical composition with multifunctionality, the wing properties of Neotibicen pruinosus (superhydrophobic) and Magicicada cassinii (hydrophobic) cicadas are investigated at time points after microwave‐assisted extraction of surface molecules to characterize the chemical contribution to nanopillar functionality. Electron microscopy of the wings throughout the extraction process illustrates nanoscale topographical changes, while concomitant changes in hydrophobicity, bacterial fouling, and bactericidal properties are also measured. Extract analysis reveals the major components of the nanostructures to be fatty acids and saturated hydrocarbons ranging from C17 to C44. Effects on the antimicrobial character of a wing surface with respect to the extracted chemicals suggest that the molecular composition of the nanopillars plays both a direct and an indirect role in concert with nanopillar geometry. The data presented not only correlates the nanopillar molecular organization to macroscale functional properties, but it also presents design guidelines to consider during the replication of natural nanostructures onto engineered substrates to induce desired properties.
Investigation of pressure drop in a cocurrent downflow three‐phase moving bed
Authors: Li Shaoshuo , Wang Chao , Yang Yao , Huang Zhengliang , Sun Jingyuan , Liao Zuwei , Wang Jingdai , Yang Yongrong , Du Bing , Behkish Arsam 
Published: April 2020

AbstractBased on a self‐established cold‐flow experimental device, the pressure drop in a cocurrent downflow three‐phase moving bed was investigated under a wide range of gas, liquid, and solid flow rates during dynamic and steady‐state operation. The results showed that for the startup of the bed, since the first bed layer packed by fall‐falling of particles had lower voidage, it would take at least one bed volume time to make the voidage in the bed reach the steady‐state. Under steady‐state conditions, the pressure drop increased with the increase of gas and liquid mass flow rates, liquid viscosity, and decreased with the increase of solid flow rate. Furthermore, it was found that the liquid distribution became more uniform due to particle movement. The experimental data obtained in this study was used to develop a correlation to predict the pressure drop in a three‐phase moving bed with an average relative error of 9.32%.
Viscoelastic surfactant fluids filtration in porous media: A pore‐scale study
Authors: Li Yuan , Dai Caili , Wu Yining , Xu Ke , Zhao Mingwei , Wang Yuhe 
Published: April 2020

AbstractWe investigated the flow of viscoelastic surfactant (VES) solutions, an important type of fracturing fluids for unconventional hydrocarbon recovery, through a diverging–converging microfluidic channel that mimics realistic unit in porous media. Newtonian fluid and viscoelastic hydrolyzed polyacrylamide (HPAM) solution were used as control groups. We vary Deborah numbers (De) up to 61.2, and found that the flow patterns of HPAM and VES solutions become very different once De ≥ 6.12. This is attributed to different generation mechanisms of viscoelasticity, thus different responses to extensional rates at pore‐throats, for HPAM and VES solutions. It results in significantly smaller pressure drop of VES solutions through the microchannel compared to HPAM solution. It interprets higher filtration loss of VES solution than HPAM in core experiments and in field observations. The set‐up can be generalized as a prototype to effectively evaluate the filtration of fracturing fluids.
Rapid and Scalable Access to Sequence‐Controlled DHDM Multiblock Copolymers by FLP Polymerization
Authors: Bai Yun , Wang Huaiyu , He Jianghua , Zhang Yuetao 
Published: April 2020

AbstractAn immortalN‐(diphenylphosphanyl)‐1,3‐diisopropyl‐4,5‐dimethyl‐1,3‐dihydro‐2H‐imidazol‐2‐imine/diisobutyl (2,6‐di‐tert‐butyl‐4‐methylphenoxy) aluminum (P(NIiPr)Ph2/(BHT)AliBu2)‐based frustrated Lewis pair (FLP) polymerization strategy is presented for rapid and scalable synthesis of the sequence‐controlled multiblock copolymers at room temperature. Without addition of extra initiator or catalyst and complex synthetic procedure, this method enabled a tripentacontablock copolymer (n=53,k=4,dpn=50) to be achieved with the highest reported block number (n=53) and molecular weight (Mn=310 kg mol−1) within 30 min. More importantly, this FLP polymerization strategy provided access to the multiblock copolymers with tailored properties by precisely adjusting the monomer sequence and block numbers.
Rhodium‐Catalyzed Highly Diastereo‐ and Enantioselective Synthesis of a Configurationally Stable S‐Shaped Double Helicene‐Like Molecule
Authors: Kinoshita Suzuka , Yamano Ryota , Shibata Yu , Tanaka Yusuke , Hanada Kyoichi , Matsumoto Takashi , Miyamoto Kazunori , Muranaka Atsuya , Uchiyama Masanobu , Tanaka Ken 
Published: April 2020

AbstractAn S‐shaped double helicene‐like molecule (>99 % ee), possessing stable helical chirality, has been synthesized by the rhodium(I)/difluorphos complex‐catalyzed highly diastereo‐ and enantioselective intramolecular double [2+2+2] cycloaddition of a 2‐naphthol‐ and benzene‐linked hexayne. The collision between two terminal naphthalene rings destabilizes the helical chirality of the S‐shaped double helicene‐like molecule, but the introduction of two additional fused benzene rings significantly increases the configurational stability. Thus, no epimerization and racemization were observed even at 100 °C. The enantiopure S‐shaped double helicene‐like molecule forms a trimer through the multiple C−H⋅⋅⋅π and C−H⋅⋅⋅O interactions in the solid‐state. The trimers stack to form columnar packing structures, in which neighboring stacks have opposite dipole directions. The accumulation of helical structures in the same direction in the S‐shaped double helicene‐like molecule enhanced the chiroptical properties.
Influence of overflow port selection on the gas desulfurization of gas cyclone–liquid jet absorption separator
Authors: Ma Liang , Peng Lv , Zhang Zheng‐Wei , Tian Cheng‐Cheng 
Published: April 2020

AbstractThe purification of industrial sulfur‐containing tail gas mainly adopts the wet flue gas desulfurization of gas–liquid mass transfer, and a new separator utilizes the gas–liquid coupling field to rapidly update the effective phase boundary area in the reaction process to enhance the mass transfer effect. This study used NaOH solution as the reaction liquid phase to determine the effects of the selection of overflow port of gas cyclone–liquid jet absorption separator on gas desulfurization efficiency under the changing rates of gas and absorption liquid flow. Results showed that desulfurization efficiency decreased as the diameter of the overflow port increased but increased as the depth of the overflow port increased. The optimal design ratio Dx/D1 of overflow tube diameter Dx and separator tube diameter D1 is 0.35, and the optimal design ratio S/H1 of overflow tube insertion depth S and separator tube length H1 is 0.62. At constant operating conditions, overflow port selection can increase desulfurization efficiency by up to 20%, which provides optimization guidance for the structural design of a gas cyclone–liquid jet absorption separator.
Stochastic differential equations harvesting policies: Allee effects, logistic‐like growth and profit optimization
Authors: Brites Nuno M. , Braumann Carlos A. 
Published: April 2020

AbstractIn this article, stochastic differential equations are used to model the dynamics of a harvested population in the presence of weak Allee effects. Two optimal harvesting policies are presented, one with variable effort based on optimal control theory, which is for practical reasons inapplicable in a random environment, and the other with constant effort and easily applicable. For a logistic‐like model with weak Allee effects, we show that the optimal policy based on constant effort implies, in a suitable range of effort values, the existence of a steady‐state stochastic equilibrium with a stationary density, obtained explicitly here, for the population size. With this new result, we compare the performance of both policies in terms of the profit obtained over a finite time horizon. Using realistic data from a harvested population and a logistic‐type growth model, we quantify the profit reduction when choosing the optimal policy based on constant effort instead of the optimal policy based on variable effort. We also study the influence of the Allee effects strength.
The protective role of metformin in autophagic status in peripheral blood mononuclear cells of type 2 diabetic patients
Authors: Bhattacharya Debalina , Dutta Moumita , Mukhopadhyay Mainak , Bhattacharyya Maitree , Chowdhury Subhankar , Karmakar Parimal 
Published: April 2020

AbstractAutophagy plays an important role in the pathophysiology of type 2 diabetes (T2D). Metformin is the most common antidiabetic drug. The main objective of this study was to explore the molecular mechanism of metformin in starvation‐induced autophagy in peripheral blood mononuclear cells (PBMCs) of type 2 diabetic patients. PBMCs were isolated from 10 diabetic patients and 7 non‐diabetic healthy volunteers. The autophagic puncta and markers were measured with the help of monodansylcadaverine staining and western blot. Additionally, transmission electron microscopy was also performed. No significant changes were observed in the initial autophagy marker protein levels in PBMCs of T2D after metformin treatment though diabetic PBMCs showed a high level of phospho‐mammalian target of rapamycin, p62 and reduced expression of phospho‐AMP‐activated protein kinase and lysosomal membrane‐associated protein 2, indicating a defect in autophagy. Also, induction of autophagy by tunicamycin resulted in apoptosis in diabetic PBMCs as observed by caspase‐3 cleavage and reduced expression of Bcl2. Inhibition of autophagy by bafilomycin rendered consistent expression of p62 indicating a defect in the final process of autophagy. Further, electron microscopic studies also confirmed massive vacuole overload and a sign of apoptotic cell death in PBMCs of diabetic patients, whereas metformin treatment reduced the number of autophagic vacuoles perhaps by lysosomal fusion. Thus, our results indicate that defective autophagy in T2D is associated with the fusion process of lysosomes which could be overcome by metformin.
Luminogens for Aggregation‐Induced Emission via Titanium‐Mediated Double Nucleophilic Addition to 2,5‐Dialkynylpyridines: Formation and Transformation of the Emitting Aggregates
Authors: Foschi Francesco , Synnatschke Kevin , Grieger Sebastian , Zhang Wen‐Shan , Wadepohl Hubert , Schröder Rasmus R. , Backes Claudia , Gade Lutz H. 
Published: April 2020

AbstractInvited for the cover of this issue are Lutz H. Gade, Claudia Backes, and co‐workers at Heidelberg University. The image depicts 2‐(1,2,2‐triarylvinyl)‐pyridines, which are luminogens for aggregation‐induced emission which “light up” upon irradiation. Read the full text of the article at 10.1002/chem.201905611.
Yield—not only Lifetime—of the Photoinduced Charge‐Separated State in Iridium Complex–Polyoxometalate Dyads Impact Their Hydrogen Evolution Reactivity
Authors: Luo Yusen , Maloul Salam , Schönweiz Stefanie , Wächtler Maria , Streb Carsten , Dietzek Benjamin 
Published: April 2020

AbstractCovalently linked photosensitizer–polyoxometalate (PS‐POM) dyads are promising molecular systems for light‐induced energy conversion processes, such as “solar” hydrogen generation. To date, very little is known of their fundamental photophysical properties which affect the catalytic reactivity and stability of the systems. PS‐POM dyads often feature short‐lived photoinduced charge‐separated states, and the lifetimes of these states are considered crucial for the function of PS‐POM dyads in molecular photocatalysis. Hence, strategies have been developed to extend the lifetimes of the photoinduced charge‐separated states, either by tuning the PS photophysics or by tuning the POM redox properties. Recently, some of us reported PS‐POM dyads based on cyclometalated IrIII complexes covalently linked to Anderson‐type polyoxometalate. Distinct hydrogen evolution reactivity (HER) of the dyads was observed, which was tuned by varying the central metal ion M of the POMM (M=Mn3+, Co3+, Fe3+). In this manuscript, the photoinduced electron‐transfer processes in the three Ir‐POMM dyads are investigated to rationalize the underlying reasons for the differences in HER activity observed. We report that upon excitation of the IrIII complex, ultrafast (sub‐ps) charge separation occurs, leading to different amounts of the charge‐separated states (Ir.+‐POMM.−) generated in the different dyads. However, in all dyads studied, the resulting Ir.+‐POMM.− species are short‐lived (sub‐ns) when compared to reference electron acceptors (e.g. porphyrins or fullerenes) reported in the literature. The reductive quenching of Ir.+‐POMM.− by a sacrificial donor, triethyl amine (1 m), to generate the intermediate Ir‐POMM.− is estimated to be very efficient (70–80 %) for all dyads studied. Based on this analyses, we conclude that the yield instead of the lifetime of the Ir.+‐POMM.− charge‐separated state determines the catalytic capacity of the dyads investigated. This new feature in the PS‐POM photophysics could lead to new design criteria for the development of novel PS‐POM dyads.
A Microfluidic Co‐Flow Route for Human Serum Albumin‐Drug–Nanoparticle Assembly
Authors: Hakala Tuuli A. , Davies Sarah , Toprakcioglu Zenon , Bernardim Barbara , Bernardes Gonçalo J. L. , Knowles Tuomas P. J. 
Published: April 2020

AbstractNanoparticles are widely studied as carrier vehicles in biological systems because their size readily allows access through cellular membranes. Moreover, they have the potential to carry cargo molecules and as such, these factors make them especially attractive for intravenous drug delivery purposes. Interest in protein‐based nanoparticles has recently gained attraction due to particle biocompatibility and lack of toxicity. However, the production of homogeneous protein nanoparticles with high encapsulation efficiencies, without the need for additional cross‐linking or further engineering of the molecule, remains challenging. Herein, we present a microfluidic 3D co‐flow device to generate human serum albumin/celastrol nanoparticles by co‐flowing an aqueous protein solution with celastrol in ethanol. This microscale co‐flow method resulted in the formation of nanoparticles with a homogeneous size distribution and an average size, which could be tuned from ≈100 nm to 1 μm by modulating the flow rates used. We show that the high stability of the particles stems from the covalent cross‐linking of the naturally present cysteine residues within the particles formed during the assembly step. By choosing optimal flow rates during synthesis an encapsulation efficiency of 75±24 % was achieved. Finally, we show that this approach achieves significantly enhanced solubility of celastrol in the aqueous phase and, crucially, reduced cellular toxicity.
Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C
Authors: Mortier Jérémie , Friberg Anders , Badock Volker , Moosmayer Dieter , Schroeder Jens , Steigemann Patrick , Siegel Franziska , Gradl Stefan , Bauser Marcus , Hillig Roman C. , Briem Hans , Eis Knut , Bader Benjamin , Nguyen Duy , Christ Clara D. 
Published: April 2020

AbstractDue to its frequent mutations in multiple lethal cancers, KRAS is one of the most‐studied anticancer targets nowadays. Since the discovery of the druggable allosteric binding site containing a G12C mutation, KRASG12C has been the focus of attention in oncology research. We report here a computationally driven approach aimed at identifying novel and selective KRASG12C covalent inhibitors. The workflow involved initial enumeration of virtual molecules tailored for the KRAS allosteric binding site. Tools such as pharmacophore modeling, docking, and free‐energy perturbations were deployed to prioritize the compounds with the best profiles. The synthesized naphthyridinone scaffold showed the ability to react with G12C and inhibit KRASG12C. Analogues were prepared to establish structure‐activity relationships, while molecular dynamics simulations and crystallization of the inhibitor‐KRASG12C complex highlighted an unprecedented binding mode.
Preclinical Anticancer Activity of an Electron‐Deficient Organoruthenium(II) Complex
Authors: Soldevila‐Barreda Joan J. , Azmanova Maria , Pitto‐Barry Anaïs , Cooper Patricia A. , Shnyder Steven D. , Barry Nicolas P. E. 
Published: April 2020

AbstractRuthenium compounds have been shown to be promising alternatives to platinum(II) drugs. However, their clinical success depends on achieving mechanisms of action that overcome Pt‐resistance mechanisms. Electron‐deficient organoruthenium complexes are an understudied class of compounds that exhibit unusual reactivity in solution and might offer novel anticancer mechanisms of action. Here, we evaluate the in vitro and in vivo anticancer properties of the electron‐deficient organoruthenium complex [(p‐cymene)Ru(maleonitriledithiolate)]. This compound is found to be highly cytotoxic: 5 to 60 times more potent than cisplatin towards ovarian (A2780 and A2780cisR), colon (HCT116 p53+/+ and HCT116 p53−/−), and non‐small cell lung H460 cancer cell lines. It shows no cross‐resistance and is equally cytotoxic to both A2780 and A2780cisR cell lines. Furthermore, unlike cisplatin, the remarkable in vitro antiproliferative activity of this compound appears to be p53‐independent. In vivo evaluation in the hollow‐fibre assay across a panel of cancer cell types and subcutaneous H460 non‐small cell lung cancer xenograft model hints at the activity of the complex. Although the impressive in vitro data are not fully corroborated by the in vivo follow‐up, this work is the first preclinical study of electron‐deficient half‐sandwich complexes and highlights their promise as anticancer drug candidates.