Screening oral drugs for their interactions with the intestinal transportome via porcine tissue explants and machine learning.

In vitro systems that accurately model in vivo conditions in the gastrointestinal tract may aid the development of oral drugs with greater bioavailability. Here we show that the interaction profiles between drugs and intestinal drug transporters can be obtained by modulating transporter expression in intact porcine tissue explants via the ultrasound-mediated delivery of small interfering RNAs and that the interaction profiles can be classified via a random forest model trained on the drug-transporter relationships. For 24 drugs with well-characterized drug-transporter interactions, the model achieved 100% concordance. For 28 clinical drugs and 22 investigational drugs, the model identified 58 unknown drug-transporter interactions, 7 of which (out of 8 tested) corresponded to drug-pharmacokinetic measurements in mice. We also validated the model's predictions for interactions between doxycycline and four drugs (warfarin, tacrolimus, digoxin and levetiracetam) through an ex vivo perfusion assay and the analysis of pharmacologic data from patients. Screening drugs for their interactions with the intestinal transportome via tissue explants and machine learning may help to expedite drug development and the evaluation of drug safety.

High-Rate Organic Cathode Constructed by Iron-Hexaazatrinaphthalene Tricarboxylic Acid Coordination Polymer for Li-Ion Batteries.

The sluggish ion-transport in electrodes and low utilization of active materials are critical limitations of organic cathodes, which lead to the slow reaction dynamics and low specific capacity. In this study, the hierarchical tube is constructed by iron-hexaazatrinaphthalene tricarboxylic acid coordination polymer (Fe-HATNTA), using HATNTA as the self-engaged template to coordinate with Fe2+ ions. This Fe-HATNTA tube with hierarchical porous structure ensures the sufficient contact between electrolyte and active materials, shortens the diffusion distance, and provides more favorable transport pathways for ions. When employed as the cathode for rechargeable Li-ion batteries, Fe-HATNTA delivers a high specific capacity (244 mAh g-1 at 50 mA g-1 , 91% of theoretical capacity), excellent rate capability (128 mAh g-1 at 9 A g-1 ), and a long-term cycle life (73.9% retention over 3000 cycles at 5 A g-1 ). Moreover, the Li+ ions storage and conduction mechanisms are further disclosed by the ex situ and in situ characterizations, kinetic analyses, and theoretical calculations. This work is expected to boost further enthusiasm for developing the hierarchical structured metal-organic coordination polymers with superb ionic storage and transport as high-performance organic cathodes.

Enhanced rate capability and high-voltage cycling stability of single-crystal nickel-rich cathode by surface anchoring dielectric BaTiO3.

The single-crystal Ni-rich Li(NixCoyMn1-x-y)O2 cathode (NCM) demonstrates better cycle performance, enhanced tap density and improved mechanical structure stability, compared with polycrystalline NCM.However, limited Li+ transports, (003) plane slips and microcracks in large single particles hinder rate capability and cycle performance. To overcome these shortcomings,single-crystal NCM cathodes have been modified by nanosized tetragonal BaTiO3. Due to the dielectric properties, BaTiO3 particles induce electric field concentration at the BaTiO3-NCM-electrolyte interface. Thus, a large amount of lithium vacancies can be formed, providing sufficient sites for the hopping diffusion of lithium ions, thereby significantly enhancing the diffusion coefficient of Li+. Moreover, the redistribution of charges can inhibit the formation and accumulation of cathode-electrolyte-interface. Owing to the synergetic effect of BaTiO3, the BT-modified single-crystal NCM with the optimized loading shows a remarkable initial discharge capacity of 138.5 mAh g-1 and maintains 53.8% of its initial discharge capacity after 100 cycles under 5C at 4.5 V cut-off voltage. Overall, the proposed dielectric cathode-electrolyte-interface strategy can enhance Li+ ion transport and stabilize the interface structure, leading to improved rate performance. Meanwhile, the diffusion-induced state of charge gradient can also be inhibited, resulting in high structure stability of single-crystal NCMs under high rate and cut-off voltage cycling.

Functional polyethylene separator with impurity entrapment and faster Li+ ions transfer for superior lithium-ion batteries.

An organic/inorganic hybrid coating consisting of molecular sieve (MS)/sulfonated melamine formaldehyde condensate (SMF) is fabricated on the polyethylene (PE) separator by a simple dip-coating process. The MS/SMF coating with high polarity enhances the electrolyte uptake of PE separator, and therefore favors higher ionic conductivity and Li+ transference number of separators. By regulating the ratio of MS/SMF, much higher Li+ transference number up to 0.5 can be obtained compared with the original PE separator (0.25). The PE separator possesses highest effective Li+ ionic conductivity when the ratio of MS/SMF is 3:1, which promotes more uniform Li+ deposition on the lithium metal surface for excellent lithium plating/stripping cycling stability up to 1000 h without any signs of short-circuit. Moreover, the functional PE separator possesses excellent H2O and HF capturing ability due to strong adsorption of MS and SMF for H2O and the scavenging of SMF for HF. The MS-SMF@PE separator-employed LiCoO2/Li unit cell shows superior C-rates capability and cycling performance, and no obvious lithium dendrite growth is found on the surface of lithium metal anode after cycling.

Binary Network of Conductive Elastic Polymer Constraining Nanosilicon for a High-Performance Lithium-Ion Battery.

Silicon-based anodes are attracting more interest in both science and industry due to their high energy density. However, the traditional polymeric binder and carbon additive mixture cannot successfully accommodate the huge volume change and maintain good conductivity when cycling. Herein, we report a multifunctional polymeric binder (PPTU) synthesized by the cross-linking of conducting polymer (PEDOT:PSS) and stretchable polymer poly(ether-thioureas) (PETU). The multifunctional polymeric binder could be curved on the surfaces of nanosilicon particles, forming an interweaving continuous three-dimensional network, which is beneficial to electron transfer and the mechanical stability. Furthermore, the binder is elastic and adhesive, and which can accommodate the huge volume change of silicon to keep its integrity. Utilizing this multifunctional polymeric binder instead of commercial poly(acrylic acid) binder and carbon black mixtures, the nanosilicon anode demonstrates enhanced cycling stability (2081 mAhg-1 after 300 cycles) and rate performance (908 mAhg-1 at 8 Ag-1). The multifunctional polymeric binder has high conductivity, elasticity, and self-healing properties is a promising binder to promote progress toward a high performance lithium-ion battery.

Ultraviolet-cured polyethylene oxide-based composite electrolyte enabling stable cycling of lithium battery at low temperature.

The room and low-temperature performances of solid-state lithium batteries are crucial to expand their practical application. Polyethylene oxide (PEO) has received great attention as the most representative polymer electrolyte matrix. However, most PEO-based solid-state batteries need to operate at high temperature due to low room temperature ionic conductivity. Improving the ionic conductivity by adding plasticizers or reducing the crystallinity of PEO often compromises its mechanical strength. Here, an amorphous PEO-based composite solid-state electrolyte is obtained by ultraviolet (UV) polymerizing PEO and methacryloyloxypropyltrimethoxy silane (KH570)-modified SiO2 which demonstrates both satisfactory mechanical performance and high ionic conductivity at room (3.37 × 10-4 S cm-1) and low temperatures (1.73 × 10-4 S cm-1 at 0 °C). In this electrolyte, the crystallinity of PEO is reduced through cross-linking, and therefore provides a fast Li+ ions transfer area. Moreover, the KH570-modified SiO2 inorganic particles promote the dissociation of lithium salts by Lewis acid centers to increase the ionic conductivity. Importantly, this kind of cross-linking networks endows the final electrolyte much higher mechanical strength than the pure PEO polymer electrolyte or PEO-inorganic filler blended systems. The solid-state LiFePO4/Li cell assembled with this electrolyte exhibits excellent cycling performance and high capacity at room and low temperatures.

Evaporation and in-situ gelation induced porous hybrid film without template enhancing the performance of lithium ion battery separator.

The current commercialized polyethylene (PE) separator has poor wettability and thermal stability which will seriously restrict the electrochemical performance and affect the safety of lithium ion battery. Herein, a porous hybrid layer coated separator with high thermal stability, good electrochemical performance and improved wettability was prepared by a template-free method via the synergistic effect between tetraethoxysilane (TEOS) and aramid nano fibers (ANFs) during the evaporation of solvent and the in-situ gelation of TEOS. The results show that the porous hybrid coating layers can enhance the thermal stability, wettability and electrolyte uptake of the separators. Moreover, the lithium ion transference number is also increased. As a result, the battery assembled with the composite separator exhibits enhanced electrochemical performance in terms of cycle stability and rate performance. When coupled with LiCoO2cathode, the capacity retention rate is as high as 96.0% after 100 cycles at 0.2C.

Nature-Derived Cellulose-Based Composite Separator for Sodium-Ion Batteries.

Sodium-ion batteries (SIBs) are emerging power sources for the replacement of lithium-ion batteries. Recent studies have focused on the development of electrodes and electrolytes, with thick glass fiber separators (~380 µm) generally adopted. In this work, we introduce a new thin (~50 µm) cellulose-polyacrylonitrile-alumina composite as a separator for SIBs. The separator exhibits excellent thermal stability with no shrinkage up to 300°C and electrolyte uptake with a contact angle of 0°. The sodium ion transference number, t Na + , of the separator is measured to be 0.78, which is higher than that of bare cellulose ( t Na + : 0.31). These outstanding physical properties of the separator enable the long-term operation of NaCrO2 cathode/hard carbon anode full cells in a conventional carbonate electrolyte, with capacity retention of 82% for 500 cycles. Time-of-flight secondary-ion mass spectroscopy analysis reveals the additional role of the Al2O3 coating, which is transformed into AlF3 upon long-term cycling owing to HF scavenging. Our findings will open the door to the use of cellulose-based functional separators for high-performance SIBs.

Enhanced thermal stability and lithium ion conductivity of polyethylene separator by coating colloidal SiO2 nanoparticles with porous shell.

Electric vehicles have very strict requirements for lithium ion batteries (LIBs). However, the commercial polyethylene (PE) separators cannot meet the demands of high safety and electrochemical performance for LIBs. This work aims to enhance the electrochemical and safety performance of LIBs by coating the separator with multifunctional particles. First, the colloidal SiO2 nanoparticles were etched by LiOH to form porous shell and lithium silicate (LSO) species simultaneously. Then, the SiO2 nanoparticles with porous shell were coated on PE separator by dip-coating method in the presence of binder. The experiment results indicate that SiO2 nanoparticles with porous shell can endow PE separator excellent thermal stability (thermal shrinkage is almost 0% at 150 ℃ for 30 min) and electrochemical properties (improved ionic conductivity and Li+ ion transference number). Moreover, the Li/LiCoO2 cell employing the PE separator coated by SiO2 with porous shell exhibits the best cycle life and C-rate performance. The discharge capacity retention of the cell assembled with LSO-SiO2@PE separator increase from 69% (cells assembled with pristine PE separator) to 86% after 100 cycles at 0.2C.

Gel Polymer Electrolyte with High Li+ Transference Number Enhancing the Cycling Stability of Lithium Anodes.

Lithium anodes suffer from severe safety problems in liquid electrolyte systems that result from an unstable Li plating/stripping process and Li dendrite growth, leading to rapid degradation of Li metal batteries. A polyethylene (PE)-supported gel polymer electrolyte (GPE) with excellent electrolyte uptake/retention capability was simply prepared in this paper by the construction of cross-linked polymer networks (PNs) on the surface of a poly(ethylenimine)-primed PE separator to stabilize the lithium anode. The highly delocalized negative charge of p-styrene sulfonate groups on PNs plays a role in regulating the Li+ and anion transport, giving rise to a high Li+ transference number. This GPE extended the electrochemical stability to 4.8 V and improved the stability of interface between the electrolyte and lithium metal anode (reduced overpotential and suppressed lithium dendrites) during storage and repeated lithium plating/stripping cycling. The Li metal anode-based battery employing this GPE exhibits excellent cycling stability and C-rate capability.

High-Performance Dye-Sensitized Solar Cells Based on Colloid-Solution Deposition Planarized Fluorine-Doped Tin Oxide Substrates.

The transmittance and conductivity of fluorine-doped tin oxide (FTO) conductive glasses are the critical factors limiting the performance of dye-sensitized solar cells (DSSCs). Here, the transmittance and conductivity of commercial FTO glasses were improved via a colloid-solution deposition planarization (CSDP) process. The process includes two steps. First, the FTO nanocrystal colloid was deposited on the FTO glasses by spin-coating. Secondly, the coated glasses were treated by FTO precursor solution. Compared to the bare FTO glasses, the modified FTO glasses by the CSDP process achieved 4% increase in transmittance (at 550 nm) and 11% decrease in sheet resistance, respectively. In addition, the modified FTO glasses can reduce the aggregation of Pt nanoparticles and improve the electrocatalytic activity of Pt counter electrodes. When the modified FTO glasses were used to assemble DSSCs, the cells got a photoelectric conversion efficiency as high as 9.37%. In contrast, the efficiency of reference cells using bare FTO substrates was about 8.24%.

In Situ Synthesis of Tungsten-Doped SnO2 and Graphene Nanocomposites for High-Performance Anode Materials of Lithium-Ion Batteries.

The composite of tungsten-doped SnO2 and reduced graphene oxide was synthesized through a simple one-pot hydrothermal method. According to the structural characterization of the composite, tungsten ions were doped in the unit cells of tin dioxide rather than simply attaching to the surface. Tungsten-doped SnO2 was in situ grown on the surface of graphene sheet to form a three-dimensional conductive network that enhanced the electron transportation and lithium-ion diffusion effectively. The issues of SnO2 agglomeration and volume expansion could be also avoided because the tungsten-doped SnO2 nanoparticles were homogeneously distributed on a graphene sheet. As a result, the nanocomposite electrodes of tungsten-doped SnO2 and reduced graphene oxide exhibited an excellent long-term cycling performance. The residual capacity was still as high as 1100 mA h g-1 at 0.1 A g-1 after 100 cycles. It still remained at 776 mA h g-1 after 2000 cycles at the current density of 1A g-1.

Fence Constructed at a Semiconductor/Electrolyte Interface Improving the Electron Collection Efficiency of the Photoelectrode for a Dye-Sensitized Solar Cell.

Charge recombination and transfer at the TiO2/dye/electrolyte interface play a crucial role in dye-sensitized solar cells (DSSCs). Here, a fine-controlled gold nanoparticle (Au NP) via electrodeposition incorporated into a porous TiO2 photoanode and dodecanethiol molecules as an assembled monolayer capping on Au NPs was designed and prepared. The "fence-like" structure of gold thiol molecules at the TiO2/dye/electrolyte interface can not only insulate the electrolyte to suppress recombination but also make full use of the plasmon-enhanced light absorption of Au NPs. The photoanodes were characterized by X-ray photoelectron spectroscopy, UV-vis absorption, and Mott-Schottky analyses. Compared to pure TiO2, the DSSC with an interface "fence" structure achieved an efficiency (η) of 8.17%, increasing by 10.4%. The enhancement results are essentially attributed to the increase of the light-harvesting and electron collection properties, accompanying a slight promotion in the Fermi level. Furthermore, after dodecanethiol molecule treatment, the Au NPs with an intensified near-field effect also acted as electron sinks to store more electrons and exhibited a well electron-transport performance from electrochemical impedance spectroscopy analysis.

Porous cellulose diacetate-SiO2 composite coating on polyethylene separator for high-performance lithium-ion battery.

The developments of high-performance lithium ion battery are eager to the separators with high ionic conductivity and thermal stability. In this work, a new way to adjust the comprehensive properties of inorganic-organic composite separator was investigated. The cellulose diacetate (CDA)-SiO2 composite coating is beneficial for improving the electrolyte wettability and the thermal stability of separators. Interestingly, the pore structure of composite coating can be regulated by the weight ratio of SiO2 precursor tetraethoxysilane (TEOS) in the coating solution. The electronic performance of lithium ion batteries assembled with modified separators are improved compared with the pristine PE separator. When weight ratio of TEOS in the coating solution was 9.4%, the composite separator shows the best comprehensive performance. Compared with the pristine PE separator, its meltdown temperature and the break-elongation at elevated temperature increased. More importantly, the discharge capacity and the capacity retention improved significantly.

Fluorine-Doped Tin Oxide Nanocrystal/Reduced Graphene Oxide Composites as Lithium Ion Battery Anode Material with High Capacity and Cycling Stability.

Tin oxide (SnO2) is a kind of anode material with high theoretical capacity. However, the volume expansion and fast capability fading during cycling have prevented its practical application in lithium ion batteries. Herein, we report that the nanocomposite of fluorine-doped tin oxide (FTO) and reduced graphene oxide (RGO) is an ideal anode material with high capacity, high rate capability, and high stability. The FTO conductive nanocrystals were successfully anchored on RGO nanosheets from an FTO nanocrystals colloid and RGO suspension by hydrothermal treatment. As the anode material, the FTO/RGO composite showed high structural stability during the lithiation and delithiation processes. The conductive FTO nanocrystals favor the formation of stable and thin solid electrolyte interface films. Significantly, the FTO/RGO composite retains a discharge capacity as high as 1439 mAhg(-1) after 200 cycles at a current density of 100 mAg(-1). Moreover, its rate capacity displays 1148 mAhg(-1) at a current density of 1000 mAg(-1).

Impact of Radio Frequency, Microwaving, and High Hydrostatic Pressure at Elevated Temperature on the Nutritional and Antinutritional Components in Black Soybeans.

In this study, the effects of high hydrostatic pressure (HHP) at elevated temperature (60 °C) and 2 dielectric heating (DH) methods (radio frequency [RF], and microwaving [MW]) on the nutritional compositions and removal of antinutritional factors in black soybeans were studied. Each treatment caused <2% reduction in protein, and 3.3% to 7.0% decline in total amino acid content. However, the proportion of essential amino acid slightly increased in DH treated samples. The treatment decreased fat content (14.0% to 35.7%), but had small influence on fatty acid proportion. Antinutritional factors including trypsin inhibitor, tannins, saponins, and phytic acid were all declined by the 3 treatments, and DH treatment was generally more efficient. The most abundant saponins was decreased >22% in DH treated samples. MW and HHP led to higher in vitro protein digestibility, RF and MW promoted protein aggregation from atomic force microscope topography, but HHP caused more damages on protein subunits as seen from SDS-PAGE image.

Layer-by-Layer Deposition of Organic-Inorganic Hybrid Multilayer on Microporous Polyethylene Separator to Enhance the Electrochemical Performance of Lithium-Ion Battery.

A simple layer-by-layer (LbL) self-assembly process of poly(acrylic acid) (PAA) and ZrO2 was applied to construct functional ultrathin multilayers on polyethylene (PE) separators without sacrificing the excellent porous structure of separators. Such PAA/ZrO2 LbL-modified PE separators possess good electrolyte wettability, excellent electrolyte uptake, high ionic conductivity and large Li(+) transference number. More importantly, the top layer of LbL self-assembly would affect the dissociation of electrolyte and the formation of solid electrolyte interphase (SEI) layer in half-cells. Compared with the pristine and (PAA/ZrO2)1PAA-modified PE separators, (PAA/ZrO2)3-modified PE separator shows a larger Li(+) transference number (0.6) and a faster tendency to form a stable SEI layer, endowing half-cells with excellent capacity retention at high C-rates and superior cycling performance. These fascinating characteristics will provide the LbL self-assembly with a promising method to improve the surface property of PE separators for high performance lithium-ion batteries.

Self-assembly of PEI/SiO2 on polyethylene separators for Li-ion batteries with enhanced rate capability.

A simple and environmentally friendly self-assembly process of oppositely charged polymer PEI and inorganic oxide SiO2 was demonstrated for the construction of an ultrathin layer on the surface of PE separator. The XPS, FT-IR, SEM, and EDS characterizations give clear evidence of the successful self-assembly of PEI and SiO2 without significantly increasing the thickness and sacrificing the pristine porous structure of PE separator. This process improves a variety of crucial properties of PE separator such as the electrolyte wetting, the electrolyte uptake, the thermal stability, the ionic conductivity, Li+ transference number, the electrochemical stability and the compatibility with lithium electrode, endowing lithium-ion battery (Li as anode and LiCoO2 as cathode) with excellent capacity retention at high C-rates and superior cycling performance. At the current density of 5 C, the cell with PE separator almost loses all the capacity. In contrast, the cell with (PEI/SiO2)-modified PE separator still holds 45.2% of the discharge capacity at 0.2 C. The stabilized SEI formation and high Li+ transference number of (PEI/SiO2)-modified PE separator were interpreted to be the substantial reasons leading to the remarkably enhanced battery performance, rendering some new insights into the role of the separator in lithium-ion batteries.

Molecular-scale interface engineering of metal nanoparticles for plasmon-enhanced dye sensitized solar cells.

A molecular surface chemical treatment is introduced into a dye sensitized solar cell (DSSC) incorporating metal nanoparticles to suppress the charge recombination. Dodecanethiol molecules as a surface treatment agent are successfully anchored onto the exposed Au nanoparticle sites of the ZnO nanorods/Au nanoparticles/N719 photoanode. ATR-FTIR and Raman measurements are conducted to understand the adsorptions of different molecules (dodecanethiol, N719) on the ZnO nanorods and Au nanoparticles surface. The effects of the dodecanethiol surface treatment on the performance of the plasmon-enhanced DSSC are investigated by UV-vis absorption, incident photon-to-current conversion efficiency (IPCE) and electrochemical impedance spectroscopy (EIS). The plasmon-enhanced light absorption due to the presence of Au nanoparticles is not affected by the dodecanethiol surface treatment. The charge recombination on the ZnO nanorods-dye-electrolyte interface is substantially retarded by insulating the exposed Au nanoparticle sites from the oxidized form of the electrolyte via dodecanethiol molecules. The strategy of a molecular surface chemical treatment on the photoanode of a DSSC with metal nanoparticles fully exploits the plasmon-enhanced light absorption and explores a simple method to protect the metal nanoparticles for the plasmon-enhanced DSSC.

Hydrothermal synthesis and humidity sensing properties of size-controlled Zirconium Oxide (ZrO2) nanorods.

Size-controlled ZrO2 nanorods were prepared via a facile hydrothermal treatment approach in the presence of NH4F as mineralizer. The effects of the type and concentration of mineralizers on the particle size and dispersibility of ZrO2 nanorods were investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM), N2 adsorption-desorption measurements (BET), and X-ray photoelectron spectroscopy (XPS), confirming the essential role of F(-) in tuning the particle size. Humidity sensors based on ZrO2 nanorods with different sizes exhibit different sensitivity depending on their proportion of surface adsorbed oxygen. High sensitivity, linear response, small hysteresis, and rapid response-recovery behavior (5s for adsorption and 38s for desorption) make ZrO2 prepared by our method a good candidate for application in humidity sensor. The complex impedance spectra were used to elucidate its humidity sensing mechanism in detail.