batterydata/paper-abstracts huggingface dataset:
Many psychiatric drugs act on multiple targets and therefore require screening assays that encompass a wide target space. With sufficiently rich phenotyping and a large sampling of compounds, it should be possible to identify compounds with desired mechanisms of action on the basis of behavioral profiles alone. Although zebrafish (Danio rerio) behavior has been used to rapidly identify neuroactive compounds, it is not clear what types of behavioral assays would be necessary to identify multitarget compounds such as antipsychotics. Here we developed a battery of behavioral assays in larval zebrafish to determine whether behavioral profiles can provide sufficient phenotypic resolution to identify and classify psychiatric drugs. Using the antipsychotic drug haloperidol as a test case, we found that behavioral profiles of haloperidol-treated zebrafish could be used to identify previously uncharacterized compounds with desired antipsychotic-like activities and multitarget mechanisms of action.
Ultra-thin and high performance polytetrafluoroethene (PTFE)/Nafion/silica composite membrane has been successfully prepared by solution casting and sol–gel method for all vanadium redox flow battery (VRB). Thickness of ∼25 μm polytetrafluoroethene/Nafion (P/N) membrane is first prepared by impregnating porous PTFE membrane with Nafion solution, and then the P/N membrane is immersed in tetraethoxysilane (TEOS) solution to prepare PTFE/Nafion/silica (P/N/S) composite membranes. The chemical structures of membranes are investigated by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR), which prove that the Nafion resin and silica are well impregnated in PTFE membrane. The water uptake, proton conductivity, vanadium permeability and VRB single cell tests of the composite membrane are also investigated in detail. At 80 mA cm−2, coulombic efficiency, voltage efficiency and energy efficiency of the VRB with P/N/S-7 (7 wt.% SiO2 in P/N/S) membrane are 93.9%, 87.2% and 81.9%, respectively. Furthermore, the self-discharge rate of the VRB with P/N/S membrane is much slower than that of the VRB with P/N membrane, which indicates that the membrane has good vanadium block ability. Fifty cycles charge–discharge test proves that the P/N/S membrane is very stable and possesses high chemical stability under the strong acid solutions.
Polyaniline thin films were electrodeposited onto naked Au and thiol-modified Au electrodes by potential cycling. Self-assembled monolayers (SAMs) contained 4-aminothiophenol (4-ATP) and n-decanethiol (DT) in varying molar ratios. The electropolymerization of aniline at these surfaces is strongly influenced by the composition of the monolayer. When the potential was cycled between 0 and 0.8V, the polymerization of aniline initiated at 4-ATP sites in the SAMs. The electrical conductivity of the films was found to increase as the mole fraction of 4-ATP in the SAM increased. When the potential was cycled between 0 and 1.0V, polymerization of aniline is initiated both at the surface and by the direct oxidation of aniline monomers in solution. Nevertheless, the composition of the SAM has a profound influence on the properties of the polyaniline films, especially the electrical conductivity, which increases with 4-ATP mole fraction up to a value of 0.77, and then decreases dramatically. The amount of 4-ATP in the SAM influences the rate of aniline oxidation, which determines the overall polymerization rate, and, in turn, influences the thin film conductivities. When the rate of monomer oxidation is too high, the films are over oxidized and lose conductivity. On the other hand, when the monomer oxidation rate is too low, the oligomer number suffers, and the conductivity drops. Thus, with respect to the electrical conductivity, there appears to be an optimum rate of aniline oxidation, which can be controlled by use of the appropriate SAM.
A new technique was employed to synthesize spinel LiMn2O4 cathode materials by adding cellulose and citric acid to an aqueous solution of lithium and manganese salts. Various synthesis conditions such as the calcination temperature and the citric acid-to-metal ion molar ratio (R) were investigated to determine the ideal conditions for preparing LiMn2O4 with the best electrochemical characteristics. The optimal synthesis conditions were found to be R =1/3 and a calcination temperature of 800°C. The initial discharge capacity of the material synthesized using the optimal conditions was 134mAhg−1, and the discharge capacity after 40 cycles was 125mAhg−1, at a current density of 0.15mAcm−2 between 3.0 and 4.35V. Details of how the initial synthesis conditions affected the capacity and cycling performance of LiMn2O4 are discussed.
Publisher Summary With massive hurricanes, earthquakes, volcanoes, and other violent displays of nature, it seems expected that people will remember and discuss them for months and years to come. An ice storm seems that it would be far less memorable. However, the Midwest ice storm of 2007 was one event that seems to be staying on the minds of those who experienced it. Winter storms can be deceptively hazardous. Small accumulations of ice can make roads impassable and bring down utilities. Low temperatures and cold winds can quickly cause injury on what may otherwise appear to be a pleasant day. Again, the impact is most severe among vulnerable populations such as the very young, elderly, and those with existing health issues. As with heat waves, winter weather morbidity and mortality may never be fully characterized because it can escalate existing conditions resulting in fatal outcomes that are not always attributed to the weather. What may be the biggest challenge of severe winter weather is the loss of essential services when roads may be impassable resulting in the isolation of vulnerable populations. The basic elements of a prepared community are achievable with the proper level of community awareness and the motivation of residents to look out for each other. A widespread loss of services during a major winter storm will quickly overwhelm available response resources and make neighbor to neighbor collaboration essential to reduce overall morbidity and mortality.
Recent views posited that negative parenting and attachment insecurity can be considered as general environmental factors of vulnerability for psychosis, specifically for individuals diagnosed with psychosis (PSY). Furthermore, evidence highlighted a tight relationship between attachment style and social cognition abilities, a key PSY behavioral phenotype. The aim of this study is to generate a machine learning algorithm based on the perceived quality of parenting and attachment style-related features to discriminate between PSY and healthy controls (HC) and to investigate its ability to track PSY early stages and risk conditions, as well as its association with social cognition performance.
In this communication, for the first time, we demonstrate the electrodeposition of Ni3S2 on ZnO (ZnO@Ni3S2) array supported on nickel foam. We further demonstrate the direct use of ZnO@Ni3S2 array as a binder-free electrode material for supercapacitors and this electrode exhibits a very high specific capacitance of 1529 F g−1 at a current density of 2 A g−1, good rate capability and cycling stability.
In this work, we report the synthesis, characterization and electrochemical properties of a new multicomponent material obtained from the polymerization of vanadium pentoxide in an inorganic matrix (alumina xerogel), forming a xerogel composite. The material has been characterized by X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, electron microscopy, energy dispersive X-ray spectrometry, cyclic voltammetry and impedance spectroscopy. It was found that the V2O5 xerogel is dispersed in the alumina matrix, but its lamellar structure is not strongly affected, thus, its conductivity properties are maintained. Moreover, the electrochemical behaviour of the V2O5 xerogel dispersed in the alumina matrix is quite similar to that found for the V2O5 xerogel alone and the inorganic matrix leads to stabilization of V2O5 xerogel structure.
We have previously disclosed that the ionic-liquid electrolyte sodium bis(fluorosulfonyl)amide (NaFSA)/1-methyl-1-propylpyrrolidinium bis(fluorosulfonyl)amide (Py13-FSA) can significantly improve the cycling stability of Sn4P3 negative electrodes for Na-ion batteries (NIBs). However, the strong electrostatic interaction between Na+ and FSA− in the electrolyte leads to high viscosity and low conductivity. In this study, we have tried to improve the conductivity of the electrolyte and enhance the rate capability of the Sn4P3 electrode by introducing an ether group in the side-chain of the ionic liquid cation to reduce said electrostatic interaction. Ether-substituted ionic liquid 1-methoxymethyl-1-methylpyrrolidinium (PyMOM)-FSA showed higher conductivity than Py13-FSA and the Sn4P3 electrode exhibited a higher rate capability. The differential capacity vs. potential plots suggest that the reaction between Na+ and Sn or P is promoted in the ether-substituted ionic liquid electrolyte. These results demonstrate that introduction of an ether moiety is an effective approach to improve the rate capability of the Sn4P3 electrode in NIBs.
SELF is a resource independent living and working environment. By on-board renewable electricity generation and storage, it accounts for all aspects of living, such as space heating and cooking as well as providing a purified rainwater supply and wastewater treatment, excluding food supply. Uninterrupted, on-demand energy and water supply are the key challenges. Off-grid renewable power supply fluctuations on daily and seasonal time scales impose production gaps that have to be served by local storage, a function normally fulfilled by the grid. While daily variations only obligate a small storage capacity, requirements for seasonal storage are substantial. The energy supply for SELF is reviewed based on real meteorological data and demand patterns for Zurich, Switzerland. A battery system with propane for cooking serves as a reference for battery-only and hybrid battery/hydrogen systems. In the latter, hydrogen is used for cooking and electricity generation. The analysis shows that hydrogen is ideal for long term bulk energy storage on a seasonal timescale, while batteries are best suited for short term energy storage. Although the efficiency penalty from hydrogen generation is substantial, in off-grid systems, this parameter is tolerable since the harvesting ratio of photovoltaic energy is limited by storage capacity.
Pain is an important and complex protective phenomenon. Good postoperative pain relief is important as it alleviates patient suffering and aids a rapid, uncomplicated recovery. Narcotic analgesic drugs are a support in pediatric operation in this circumstance when a patient has “nothing per oral” status. A novel reliable electrochemical sensor is fabricated for direct and sensitive determination of nalbuphine (NB) and tramadol (TR) analgesic drugs based on cobalt oxide/ionic liquid crystal/carbon nanotubes modified carbon paste electrode in presence of sodium dodecyl sulfate (CNTILCCoCP-SDS). The effect of type of metal oxide on the catalytic activity of the sensor towards NB determination was evaluated. Nano‑cobalt oxide showed highest electro-catalytic activity, excellent conductivity, antifouling ability and charge transfer enhancement compared to other studied metal oxides. Under the optimized conditions, simultaneous determination of NB and TR in human urine using the proposed sensor was successfully achieved with sub-nano detection limits of 0.58nM and 0.62nM respectively. The practical analytical performance of the sensor was attained for determination of NB and TR in their pharmaceutical samples with satisfied recovery results. This sensor has great ability to be extended for electrochemical applications in assaying of many drugs.
In this work, atomistic simulation method based on core shell model is applied to observe the concerted motion of lithium ions in the perfect lattice of Li3V2(PO4)3 cathode material. The simulation is carried out at a series of increasingly elevated temperatures in a super cell containing 8 unit cells. The superimposed Li+ trajectory at all timeframes offers an intuitive, reliable image of the Li+ migration in crystal lattice. It reveals Li+ diffusion mainly takes place on series of wave shaped planes without intersections extending infinitely toward a and c directions, or in a word, two dimensionally. The complete migration path along the c axis is supposed to be described as transferring through alternating 4a Li2 and 4a Li3 atoms. The Li+ migration along the a axis follows the mutually connected Li-On polyhedra chain. Li+ migration along the a axis owns the smallest energy barrier 0.44 eV. The estimated diffusion coefficient at RT is 3.2 × 10−11 cm2·s−1. The hopping between two Li-On polyhedra chains via two vertex sharing Li2-O5 polyhedron and Li1-O5 polyhedron also makes diffusion along the b axis possible at higher temperature.
Despite widespread recognition and application of the relationship marketing principle, little empirical work has been done in terms of adopting the relational metaphor at the consumer-brand level. A notable exception is a study by Fournier (1998) in the context of consumer goods. To our knowledge, however, no research has been conducted based on relationship marketing at the consumer-brand level in the service domain. This study seeks to address this limitation by examining the relational phenomena between consumers and service brands. Specifically, the study develops a typology of different relationship types.
There is a growing need to provide more realistic and accurate State of Health estimations for batteries in electric vehicles. Thus, it is necessary to research various lithium-ion cell aging processes, including cell degradation and related path dependence. This paper focuses on quantitative analyses of cell aging path dependence in a repeatable laboratory setting, considering the influence of duty cycles, depth of discharge (DOD), and the frequency and severity of the thermal cycle, as reflected in pure electric buses operated in Beijing. Incremental capacity analysis (ICA) and differential voltage analysis (DVA) are applied to infer cell degradation mechanisms and quantify the attributions to capacity fade. It was observed that the cells experienced a higher rate of aging at 80% DOD and an accelerated aging at 40 °C in the thermal cycling, as a result of possible loss of active material (LAM) in both electrodes, in addition to the loss of lithium inventory (LLI) and inhibited kinetics. The slight capacity fade from low-temperature extremes likely caused by LLI due to lithium plating, whereas the noticeable fade after the high-temperature excursion was likely caused by LAM and hindrance to kinetics. These results may lead to improved battery management in EV applications.
Addressing the economic and environmental sustainability problems of today's road transport requires, inter alia, the rapid introduction of alternative, low-carbon fuels and highly efficient, low-emission powertrains. It is unlikely that the transition from oil-based fuels and conventional internal combustion engines will occur organically at the necessary rate and following an optimum path, hence policy intervention is required. However, in order to design effective policies it is essential that the potential role of the alternative technologies is understood as best as current knowledge allows. Several high-profile studies have compared the potential of alternative road transport technologies, such as hybrids, plug-in hybrids, battery electric vehicles, hydrogen fuel cells and biofuels. The studies, critically reviewed in this paper, have generated a tremendous amount of knowledge. However, we have identified limitations that should be addressed in future comparative studies. These are: a) the complexity of the passenger car market, consisting of many segments characterised by different requirements and use patterns, is not adequately represented; b) future changes in driving behaviour brought about by new policy and technology are generally not considered; c) different studies use different performance indicators for alternative fuels and powertrains, making results difficult to compare and their interpretation difficult for the non-expert. We test the effect of these limitations on the Total Cost of Ownership of each of the alternative technologies mentioned above. We demonstrate that building market segments and behavioural change into a comparative analysis significantly affects its results and we recommend that this is done in future studies.
During a submission procedure, the validity of a few dietary toxicity studies was questioned because low levels of the drug were detected among control toxicokinetic samples. Although several lines of reasoning suggested that these findings arose from ex vivo contamination, the Regulatory Authority stated that it was not possible to establish a no-effect-level in any of the studies and so the submission was withdrawn. In response, Novartis conducted a thorough review and modification of the procedures involved in the collection and analysis of toxicokinetic samples to minimize such contamination in future studies. Ongoing monitoring of contamination in toxicology studies has subsequently revealed that although it was not possible to completely eliminate the problem, the new procedures together with an increasing awareness of the issue have considerably reduced the incidence of contamination. The process of contamination and its control was also modeled in a feeding study in mice. This provided good evidence that the detection of drug in control samples in the previous studies originated from external sources and not from in vivo exposure.
Splitting water into hydrogen and oxygen by electrolysis using electricity from intermittent waste heat, wind, or solar energies is one of the easiest and cleanest methods for high-purity hydrogen production and an effective way to store the excess electrical power. The key dilemma for efficient large-scale production of hydrogen by splitting of water via the hydrogen and oxygen evolution reactions (HER and OER, respectively) is the high overpotential required, especially for the OER. We report an exceptionally active and durable OER catalyst yielding current densities of 500 and 1000 mA cm−2 at overpotentials of only 259 mV and 289 mV in alkaline electrolyte, respectively, fulfilling the commercial criteria of the OER process. Together with a good HER catalyst, we have achieved the commercially required current densities of 500 and 1000 mA cm−2 at 1.586 and 1.657 V, respectively, with very good stability, dramatically lower than any previously reported voltage. This discovery sets the stage for large-scale hydrogen production by water splitting using excess electrical power whenever and wherever available.
Tris(trimethylsilyl)phosphate (TMSP) has been investigated as an additive to form a modified solid electrolyte interface (SEI) on lithium rich cathode material Li[Li0.2Ni0.13Mn0.54Co0.13]O2 and improve its electrochemical performances. Linear sweep voltammetry (LSV) results show that TMSP additive decomposes at the potential ca. 4.1V, lower than that of electrolyte solvent decomposition. The morphology images via TEM clearly demonstrate a continuous interfacial layer formed on the cathode surface after initial cycles. XPS results prove that the components of SEI are mainly derived from the decomposition of TMSP. The Li[Li0.2Ni0.13Mn0.54Co0.13]O2 cathode materials cycled in 1.0 wt% TMSP-containing electrolyte demonstrate obvious enhancement in its cycling stability and capacity retention reaches 91.1% after 50 cycles. The improved performances are ascribed to modified SEI which tightly covers on cathode particle, and effectively avoids a direct contact between cathode active material and electrolyte, leading to the stabilized interfacial structures.
Rechargeable lithium–oxygen (Li–O2) batteries are attracting much interest due to their highest energy density among chemical batteries. Recent studies have focused on designing highly efficient catalysts to improve the electrochemical performance of Li–O2 batteries for long-term cycling. In this work, we report controlled synthesis of high efficient spinel catalysts in Li–O2 batteries. The catalysts present core–shell spheres, which are constructed by porous nanoplates. The remarkable feature of the hierarchical porous structure cannot only provide many electrocatalytic sites but also facilitate the flow of oxygen and infiltration of the electrolyte, and eventually improving the capacity and cyclability. As a representative catalyst, the synergistic effects of the inherited superior catalytic activity and the unique porous structure of NiCo2O4 lead to low overpotentials, high rate capacity as well as excellent long-term cyclability in Li–O2 cells. This study affords a new strategy to achieve optimal performance in spinel catalysts, which may be extended to the preparation of other materials for a broad range of energy and environmental applications.
A novel multi-step design of spherical nano-SnSb/MCMB/carbon core–shell composite for high stability and long life lithium battery electrodes has been introduced. The core–shell composite was successfully synthesized via co-precipitation and subsequent pyrolysis. The resultant composite sphere consisted of nanosized SnSb alloy and mesophase carbon microbeads (MCMB, 10μm) embedded in a carbon matrix pyrolyzed from glucose and petroleum pitch, in which the MCMB was treated to be the inner core to offer mechanical support and efficient electron conducting pathway. The composite material exhibited a unique stability with a retention discharge capacity rate of 83.52% with reversible capacity of 422.5mAhg−1 after 100 cycles and a high initial coulombic efficiency of 83.53%. The enhanced electrochemical performance is attributed to the structural stability of the composite sphere during the charging–discharging process.
Nanoporous molybdenum oxynitride has been synthesized and studied for the first time as an oxygen reduction catalyst in a 0.1M KCl aqueous solution (pH 5.6). Modified electrodes containing the oxynitride catalyst, TIMCAL Super P™ Li carbon as a conducting carbon additive and polyvinylidene fluoride as a binder were prepared, and the ratios of the different components were studied in detail to yield the optimum composition. The oxygen reduction reaction mechanism has been analyzed by the Koutecky–Levich equation using a rotating disk electrode and is in concordance with a four-electron pathway for the molybdenum oxynitride catalyst. Rotating ring-disk electrode experiments have further confirmed the electrocatalytic performance of such oxynitrides toward oxygen reduction, determining an average production of H2O2 of just 2.35%. Finally, we have also compared the performance of vanadium and tungsten oxynitrides under the same conditions as the optimal molybdenum oxynitride.