bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of Organic Ionic Plastic Crystals As Solid-State Electrolytes
Authors: Pringle Jennifer M , Yunis Ruhamah , Al-Masri Danah , Forsyth Maria , Hollenkamp Anthony F. 
Published: February 2020

The advantages of ionic liquids as electrolytes for electrochemical applications such as lithium batteries and dye-sensitized solar cells are now well recognized. Organic Ionic Plastic Crystals (OIPCs) are crystalline phases found in many of the same organic salt families as ILs but these materials have elevated melting points and exhibit various forms of disorder, which is the origin of their plastic mechanical properties. These plastic crystal materials are showing increasing promise as solid state electrolytes for various electrochemical applications.[1] We have also recently discovered that this disorder allows the use of OIPC-based membranes for light gas separation.[2]

OIPCs display one or more solid-solid phase transition before melting, which is associated with the onset of rotational or translational motions of the ions and thus a progressive transformation from an ordered crystalline phase to an increasingly disordered structure. This disorder is fundamentally responsible for the fast ion conduction of target ions, such as lithium or sodium, and core to their efficient performance as solid-state electrolytes.
Key to the development of OIPCs is expanding the range of cations and anions available, and understanding the resulting structure and dynamics. Here we discuss our development of new OIPC-based materials for energy applications, in particular lithium metal batteries, and insights into the mechanism of ion transport using techniques such as variable temperature solid state NMR. The recent development of new OIPCs using the N,N-diethylpyrrolidinium ([C2epyr]) cation will be discussed, in addition to the use of very high lithium content [C2epyr][FSI] / Li[FSI] ionic liquids and OIPCs as battery electrolytes.
References
[1] MacFarlane DR. Forsyth M, Howlett PC, Kar M, Passerini S, Pringle JM, Ohno H, Watanabe M, Yan F, Zheng W, Zhang S, Zhang J Nat. Rev. Mat., 2016, 15005.
[2] McDonald JL, MacFarlane DR, Forsyth M, Pringle JP, Chem. Commun., 2016, 52, 12940-12943
[3] Al-Masri D, Yunis R, Hollenkamp A, Pringle JM, Chem. Commun., 2018, 54, 3660-3663.
Nanocomposite Gel Polymer Electrolytes: Thermophysical, Electrical Properties and Electrochemical Applications
Authors: Deb Debalina , Bose Pallab , Bhattacharya Subhratanu 
Published: February 2020

Flexible polymer-based electrolytes providing good electrode-electrolyte interfaces offer the most promising solution to address the all-solid-state battery requirements.1 However, substantially higher temperatures are required to achieve the optimal conductivity for a polymer electrolyte for electrochemical application, which is still an important bottleneck in lithium polymer batteries. To improve the performance of polymer electrolytes, ionic liquids (ILs) have been combined as a reinforcing agent with suitable polymer matrices. ILs add numerous advantages to the electrolyte such as high thermal stabilities, higher operating temperature range, moderate ion conductivity and safety. Moreover, due to non-reactivity with lithium, IL-based polymer electrolytes may also be used in secondary lithium-metal batteries, outperforming the conventional IL-free polymer electrolytes.
In this study, in order to improve the functionality and ion conductivity of polymer electrolyte further, a highly conducting ionic liquid-based nanofluid is used as the plasticizer. The ionanofluid is prepared and optimized by dispersing 5.0wt% of surface functionalized Al2O3 nanoparticles in 1-Decyl-3-methylimidazole bis(triﬂuoromethanesulfonyl) imide, [Deim][NTf2] IL to achieve the highest conductivity. In order to analyze the thermophysical and electrical properties, the as-prepared lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt doped poly (ethylene oxide) based ionanofluid reinforced nanocomposite gel polymer electrolytes are subjected to different characterization techniques viz. XRD, DSC, FT-IR, SEM, HR-TEM and impedance spectroscopy. The highest conductivity for free-standing electrolyte with 30 wt% ionanofluid is obtained as ~2.5×10-3 S/ cm at 30 °C. The electrochemical properties of the optimized highest conducting electrolyte demonstrate its brilliant application potentiality as an electrolyte in secondary energy storage devices.
Performance of All Solid Li-Air Battery
Authors: Park Jung Ock , Kim Mokwon , Lee Heung Chan , Kwon Hyuk Jae , Ma Sang Bok , Lee Hyunpyo , Im Dongmin 
Published: February 2020

The Li–Air battery converts the electrochemical reactions of lithium and O2 into electrical energy and has been receiving attention as the next generation battery because of its high theoretical specific energy of 3400 Wh kg-1. The high specific energy of the Li–Air battery can be attributed to the reaction in the cathode where only Li and O2 are needed, and it is an order of magnitude higher than that of the future generation Li ion battery that is predicted to reach at most 400 Wh kg-1. In the cathode, the carbon particles are used to provide electron conductivity as well as the surface area for the reactions, and the electrolytes are necessary to transport Li+ ions between the anode and cathode [1]. The pore distribution of the cathode is reported to influence the capacity [2], and the lifetime of the battery is reported to be limited by the stability of electrolyte [3]. To ensure higher stability against the oxidative conditions, the ionic liquid-based electrolytes are often used [4]. However, even the ionic liquid is known to decompose at the oxidative environment of the Li-Air battery operation conditions. To increase the cycle lifetime of the Li-Air battery, more stable form of electrolyte in cathode is desired.
By constructing an all solid Li-Air battery which consists of Li metal, solid electrolyte, and oxide cathode, the source of cathode degradation can be greatly reduced by eliminating the liquid electrolyte and carbon in the cathode. The oxide material which showed both electronic and ionic conductivity in the order of 10-4 S/cm was used as the cathode. The cathode material was ball milled to obtain sub-micron sized particles and the surface area in the order of 10 m2/g. The cathode was coated to obtain a 10 μm cathode layer, and the layer was sintered onto a LATP (Lithium aluminum titanium phosphate) electrolyte layer. The Li metal was then attached to the cathode/electrolyte to form an all solid Li-Air battery. To operate the Li-Air battery, the Li metal was isolated from the O2 environment to which the cathode was exposed. The performance of the battery was evaluated in a O2 filled chamber which had the relative humidity up to 100%. The discharge and charge curves were analyzed to evaluate the feasibility and the cycle lifetime of the all solid Li-Air battery. The composition of the discharge product and the possible reaction mechanism will be presented. The strategy to increase the specific energy and cycle lifetime of the battery will be also discussed.
[1] D. Aurbach, B. D. McCloskey, L. F. Nazar and P. G. Bruce, Nat
.
Energy
, 2016, 1, 1–11.
[2] N. Ding, S. W. Chien, T. S. A. Hor, R. Lum, Y. Zong and Z. Liu, J. Mater. Chem. A
, 2014, 2, 12433–12441.
[3] S. A. Freunberger, Y. Chen, Z. Peng, J. M. Griffin, L. J. Hardwick, F. Barde, P. Novak and P. G. Bruce, J. Am. Chem. Soc., 2011, 133, 8040–8047.
[4] N. Mozhzhukhina, A. Y. Tesio, L. P. Mendez De Leo and E. J. Calvo, J. Electrochem. Soc., 2017, 164, A518–523.
Biallelic loss‐of‐function variants in RBL2 in siblings with a neurodevelopmental disorder
Authors: Brunet Theresa , Radivojkov‐Blagojevic Milena , Lichtner Peter , Kraus Verena , Meitinger Thomas , Wagner Matias 
Published: February 2020

AbstractThe RBL2 locus has been associated with intelligence and educational attainment but not with a monogenic disorder to date. RBL2 encodes p130, a member of the retinoblastoma protein family, which is involved in mediating neuron survival and death. Previous studies on p130 knockout mice revealing embryonic death and impaired neurogenesis underscore the importance of RBL2 in brain development. Exome sequencing in two siblings with severe intellectual disability, stereotypies and dysmorphic features identified biallelic loss‐of‐function variants c.556C>T, p.(Arg186Ter) and a deletion of exon 13–17 in RBL2 (NM_005611.3), establishing RBL2 as a candidate gene for an autosomal recessive neurodevelopmental disorder.
Neural observer‐based small fault detection and isolation for uncertain nonlinear systems
Authors: Abid Walid , Krifa Abdelkader , Liouane Noureddine 
Published: February 2020

AbstractSmall faults (some weak faults with a tiny magnitude) are difficult to detect and may cause severe problems leading to degrading the system performance. This paper proposes an approach to estimate, detect, and isolate small faults in uncertain nonlinear systems subjected to model uncertainties, disturbances, and measurement noise. A robust observer is developed to alleviate the lack of full state measurement. Using the estimated state, a dynamical radial basis function neural networks observer is designed in form of LMI problem to accurately learn the function of the inseparable mixture between modeling uncertainty and the small fault. By exploiting the knowledge obtained by the learning phase, a bank of observers is constructed for both normal and fault modes. A set of residues is achieved by filtering the differences between the outputs of the bank of observers and the monitored system output. Due to the noise dampening characteristics of the filters and according to the smallest residual principle, the small faults can be detected and isolated successfully. Finally, rigorous analysis is performed to characterize the detection and isolation capabilities of the proposed scheme. Simulation results are used to prove the efficacy and merits of the proposed approach.
Homolytic versus Heterolytic Hydrogen Evolution Reaction Steered by a Steric Effect
Authors: Guo Xiaojun , Wang Ni , Li Xialiang , Zhang Zongyao , Zhao Jianping , Ren Wanjie , Ding Shuping , Xu Gelun , Li Jianfeng , Apfel Ulf‐Peter , Zhang Wei , Cao Rui 
Published: February 2020

AbstractSeveral H−H bond forming pathways have been proposed for the hydrogen evolution reaction (HER). Revealing these HER mechanisms is of fundamental importance for the rational design of catalysts and is also extremely challenging. Now, an unparalleled example of switching between homolytic and heterolytic HER mechanisms is reported. Three nickel(II) porphyrins were designed and synthesized with distinct steric effects by introducing bulky amido moieties to ortho‐ or para‐positions of the meso‐phenyl groups. These porphyrins exhibited different catalytic HER behaviors. For these Ni porphyrins, although their 1e‐reduced forms are active to reduce trifluoroacetic acid, the resulting Ni hydrides (depending on the steric effects of porphyrin rings) have different pathways to make H2. Understanding HER processes, especially controllable switching between homolytic and heterolytic H−H bond formation pathways through molecular engineering, is unprecedented in electrocatalysis.
Harnessing Plasticity in an Amine‐Borane as a Piezoelectric and Pyroelectric Flexible Film
Authors: Zhang Yan , Hopkins Margaret A. , Liptrot David J. , Khanbareh Hamideh , Groen Pim , Zhou Xuefan , Zhang Dou , Bao Yinxiang , Zhou Kechao , Bowen Chris R. , Carbery David R. 
Published: February 2020

AbstractWe demonstrate that trimethylamine borane can exhibit desirable piezoelectric and pyroelectric properties. The material was shown to be able operate as a flexible film for both thermal sensing, thermal energy conversion and mechanical sensing with high open circuit voltages (>10 V). A piezoelectric coefficient of d33≈10–16 pC N−1, and pyroelectric coefficient of p≈25.8 μC m−2 K−1 were achieved after poling, with high pyroelectric figure of merits for sensing and harvesting, along with a relative permittivity of
6.3.
Recent Advances in the Construction of Trifluoromethyl‐Containing Spirooxindoles through Cycloaddition Reactions
Authors: Gui Hou‐Ze , Wei Yin , Shi Min 
Published: February 2020

AbstractThe spirooxindole unit is one of the most widely investigated compound skeletons existing in numerous natural and pharmaceutical molecules. Thus, a large number of synthetic methodologies have already been reported to construct such a core structure. The trifluoromethyl group is another privileged unit in organic chemistry. The introduction of a CF3 group to an organic framework can significantly improve the properties of the molecule. In this context, an efficient approach for the construction of trifluoromethyl‐containing spirooxindoles becomes a promising research direction among communities of industry and academia. In this Minireview, recent advances in the construction of trifluoromethyl‐containing spirooxindoles have been summarized and discussed. In addition, representative synthetic methodologies and the corresponding reaction mechanisms have been described as well.
Trimetallic Spinel‐Type Cobalt Nickel‐Doped Manganese Oxides as Bifunctional Electrocatalysts for Zn‐Air Batteries
Authors: Kosasang Soracha , Gatemala Harnchana , Ma Nattapol , Chomkhuntod Praeploy , Sawangphruk Montree 
Published: February 2020

AbstractThis work demonstrates the effect of trimetallic and bimetallic electrocatalysts of spinel‐type metal oxides towards oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). The trimetallic spinel‐type Co0.5Ni0.5Mn2O4 shows higher bifunctional electrocatalytic activity towards ORR and OER than bimetallic oxides such as CoMn2O4 and NiMn2O4. The in situ X‐ray absorption spectroscopy was applied to observe the change in the oxidation number of Mn, Ni, and Co during the reactions to demonstrate the active metals on the ORR and OER. The Co plays a more important role in the ORR process than the Ni and Mn, while the three metals exhibit an equivalent contribution on the OER activity as observed from the oxidation state shift. Additionally, the practicality of Zn‐air batteries using the trimetallic spinel catalyst is demonstrated to power light‐emitting diode and spinning motor with a nominal voltage of 3 V. Bifunctional trimetallic electrocatalysts in this work may be useful for other metal‐air batteries.
Brain–computer interface for assessment of mental efforts in e‐learning using the nonmarkovian queueing model
Authors: Balamurugan B. , Mullai M. , Soundararajan S. , Selvakanmani S. , Arun D. 
Published: February 2020

AbstractThe rapid advancement in information and communication technology has made e‐learning an alternative learning method for many learners. In the last few years, a huge number of learners around the world have registered in massive open online courses (MOOCs) provided by various online learning platforms. However, MOOC platforms have a vital task for the online course provider to provide enhanced students' learning experiences and satisfaction. In this work, we developed a brain–computer interface for gathering data and detecting a learner's mental situation by observing MOOC videos and electroencephalogram (EEG) devices based on John Sweller's Cognitive Load Theory. The acquired EEG signals are preprocessed with two different normalization methods to scale signals. To validate the introduced framework, the system adopted three machine learning algorithms (random forest using non‐Markovian model, support vector machine, and k‐nearest neighbors) to develop a model with preprocessed training data and test the classifiers to validate their ensemble classifiers' performance. Finally, experimental analysis showed that the random forest classifier with the non‐Markovian approach achieved more than the other two techniques in the form of overall accuracy (99.15%) and F‐measures (99.21%).
Structure–Activity Relationships for the Affinity of Chaotropic Polyoxometalate Anions towards Proteins
Authors: Solé‐Daura Albert , Poblet Josep M. , Carbó Jorge J. 
Published: February 2020

AbstractThe influence of the composition of chaotropic polyoxometalate (POM) anions on their affinity to biological systems was studied by means of atomistic molecular dynamics (MD) simulations. The variations in the affinity to hen egg‐white lysozyme (HEWL) were analyzed along two series of POMs whereby the charge or the size and shape of the metal cluster are modified systematically. Our simulations revealed a quadratic relationship between the charge of the POM and its affinity to HEWL as a consequence of the parabolic growth of POM⋅⋅⋅water interaction with the charge. As the charge increases, POMs become less chaotropic (more kosmotropic) increasing the number and the strength of POM–water hydrogen bonds and structuring the solvation shell around the POM. This atomistic description explains the proportionally larger desolvation energies and less protein affinity for highly charged POMs, and consequently, the preference for moderate charge densities (q/M=0.33). Also, our simulations suggest that POM⋅⋅⋅protein interactions are size‐specific. The cationic pockets of HEWL protein show a preference for Keggin‐like structures, which display the optimal dimensions (≈1 nm). Finally, we developed a quantitative multidimensional model for protein affinity with predictive ability (r2=0.97; q2=0.88) using two molecular descriptors that account for the charge density (charge per metal atom ratio; q/M) and the size and shape (shape weighted‐volume; VS).
Earth‐Abundant Transition‐Metal‐Based Bifunctional Electrocatalysts for Overall Water Splitting in Alkaline Media
Authors: Yu Jianmin , Le Thi Anh , Tran Ngoc Quang , Lee Hyoyoung 
Published: February 2020

AbstractThe depletion of fossil fuels has accelerated the search for clean, sustainable, scalable, and environmentally friendly alternative energy sources. Hydrogen is a potential energy carrier because of its advantageous properties, and the electrolysis of water is considered as an efficient method for its industrial production. However, the high‐energy conversion efficiency of electrochemical water splitting requires cost‐effective and highly active electrocatalysts. Therefore, researchers have aimed to develop high‐performance electrode materials based on non‐precious and abundant transition metals for conversion devices. Moreover, to further reduce the cost and complexity in real‐world applications, bifunctional catalysts that can be simultaneously active on both the anodic (i.e., oxygen evolution reaction, OER) and cathodic (i.e., hydrogen evolution reaction, HER) sides are economically and technically desirable. This Minireview focuses on the recent progress in transition‐metal‐based materials as bifunctional electrocatalysts, including several promising strategies to promote electrocatalytic activities for overall water splitting in alkaline media, such as chemical doping, defect (vacancy) engineering, phase engineering, facet engineering, and structure engineering. Finally, the potential for further developments in rational electrode materials design is also discussed.
Supported TiO2 on Kaolin, Cordierite, and Calcite for Photocatalytic Removal of Dyes from Wastewater
Authors: Ibrahim Amal M. , El‐Mekkawi Doaa M. , Selim Mohamed M. 
Published: February 2020

AbstractKaolin, cordierite, and calcite are investigated as supports for TiO2. The prepared TiO2/support samples are examined for the removal of organic dyes from wastewater. The samples are preliminarily investigated to identify the optimal loaded system using synthetic wastewater containing methylene blue (MB). Data indicate that the investigated support significantly affects the photocatalytic activity of the supported TiO2. Low photocatalytic activity toward MB degradation is observed upon using TiO2/calcite when compared to the unsupported TiO2. Interaction between calcite and titania species probably occurrs to produce the less photoactive CaTiO3 amorphous species. Anatase TiO2 is obtained upon using kaolin and cordierite as supports. The low photocatalytic performance of the TiO2/kaolin sample is also observed. A high concentration of MB on TiO2/kaolin surfaces blocks the photoactive sites. TiO2/cordierite shows the highest photocatalytic activity compared to the unsupported TiO2 as well as the other TiO2/support samples. Rigid cordierite particles suppress the agglomeration of TiO2 particles during the preparation, leading to a high exposed surface of TiO2 towards light illumination. TiO2/cordierite is investigated for the removal of organic dye from real wastewater collected from a textile dyeing factory. Color removal of up to 46% is achieved upon UV irradiation.
Distribution, number, and certain neurochemical identities of infracortical white matter neurons in the brains of three megachiropteran bat species
Authors: Bhagwandin Adhil , Debipersadh Ulsana , Kaswera‐Kyamakya Consolate , Gilissen Emmanuel , Rockland Kathleen S. , Molnár Zoltán , Manger Paul R. 
Published: February 2020

AbstractA large population of infracortical white matter neurons, or white matter interstitial cells (WMICs), are found within the subcortical white matter of the mammalian telencephalon. We examined WMICs in three species of megachiropterans, Megaloglossus woermanni, Casinycteris argynnis, and Rousettus aegyptiacus, using immunohistochemical and stereological techniques. Immunostaining for neuronal nuclear marker (NeuN) revealed substantial numbers of WMICs in each species—M. woermanni 124,496 WMICs, C. argynnis 138,458 WMICs, and the larger brained R. aegyptiacus having an estimated WMIC population of 360,503. To examine the range of inhibitory neurochemical types we used antibodies against parvalbumin, calbindin, calretinin, and neural nitric oxide synthase (nNOS). The calbindin and nNOS immunostained neurons were the most commonly observed, while those immunoreactive for calretinin and parvalbumin were sparse. The proportion of WMICs exhibiting inhibitory neurochemical profiles was ~26%, similar to that observed in previously studied primates. While for the most part the WMIC population in the megachiropterans studied was similar to that observed in other mammals, the one feature that differed was the high proportion of WMICs immunoreactive to calbindin, whereas in primates (macaque monkey, lar gibbon and human) the highest proportion of inhibitory WMICs contain calretinin. Interestingly, there appears to be an allometric scaling of WMIC numbers with brain mass. Further quantitative comparative work across more mammalian species will reveal the developmental and evolutionary trends associated with this infrequently studied neuronal population.
Lignin‐First Fractionation of Softwood Lignocellulose Using a Mild Dimethyl Carbonate and Ethylene Glycol Organosolv Process
Authors: De Santi Alessandra , Galkin Maxim V. , Lahive Ciaran W. , Deuss Peter J. , Barta Katalin 
Published: February 2020

AbstractA mild lignin‐first acidolysis process (140 °C, 40 min) was developed using the benign solvent dimethyl carbonate (DMC) and ethylene glycol (EG) as a stabilization agent/solvent to produce a high yield of aromatic monophenols directly from softwood lignocellulose (pine, spruce, cedar, and Douglas fir) with a depolymerization efficiency of 77–98 %. Under the optimized conditions (140 °C, 40 min, 400 wt % EG and 2 wt % H2SO4 to pinewood), up to 9 wt % of the aromatic monophenol was produced, reaching a degree of delignification in pinewood of 77 %. Cellulose was also preserved, as evidenced by a 85 % glucose yield after enzymatic digestion. An in‐depth analysis of the depolymerization oil was conducted by using GC‐MS, HPLC, 2 D‐NMR, and size‐exclusion chromatography, which provided structural insights into lignin‐derived dimers and oligomers and the composition of the sugars and derived molecules. Mass balance evaluation was performed.