Search

Highlights • Coordination number and strain state affect the vacancy formation in twin boundary. • The vacancy diffusion in 10 1 ¯ 2 , 10 1 ¯ 1 and 11 2 ¯ 2 TBs planes is unidirectional. • The vacancy diffusion in (11 2 ¯ 1) TB plane is isotropic. • Low formation energy and migration barrier of vacancy enhance atom transport in TBs. Abstract The distinct atomic structure of twin boundary (TB) significantly affects the physical and mechanical behaviors of materials. In this work, the local atomic structure, the formation and diffusion of vacancy in (10 1 ¯ 2), (11 2 ¯ 1), (11 2 ¯ 2) and (10 1 ¯ 1) TBs of α-Ti were investigated in details using ab initio calculations. Our calculations illustrated that most atoms at or close to the TBs have lower atom coordination number (CN), thereby experiencing the positive changes of local volume and tension strain. The CN and strain state significantly affect the vacancy formation. It's shown that vacancy can easily form in these TBs, with the lower formation energy in the range of 1.26–1.59 eV. Our calculations further shown vacancy diffusion are somewhat anisotropic in 10 1 ¯ 2 , 10 1 ¯ 1 and 11 2 ¯ 2 TBs planes. Vacancy prefers to diffuse along the direction of 1 ¯ 2 1 ¯ 0 in (10 1 ¯ 2) and (10 1 ¯ 1) TBs, and along the twinning direction of 11 2 ¯ 3 ¯ in 11 2 ¯ 2 TB, with the migration barriers of ∼0.43, ∼0.27, and ∼0.31 eV, respectively. Vacancy diffusion in (11 2 ¯ 1) TB plane is isotropic, with the migration barrier of ∼0.25 eV. Our calculations demonstrated that the fast diffusion channel mediated by vacancy for metallic atoms transport in these TBs can be mainly ascribed to the lower migration barrier and formation energy of vacancy in TBs. [ABSTRACT FROM AUTHOR]

Highlights • miR-381 was decreased in CCI rats, and overexpression of miR-381 depressed neuroinflammation. • HMGB1 and CXCR4 were predicted as downstream targets of miR-381 and miR-381 modulated HMGB1 and CXCR4 expression negatively. • miR-381 might act as a potential therapeutic target for neuropathic pain development. Abstract MicroRNA are significant regulators of neuropathic pain development. Neuroinflammation contributes a lot to the progression of neuropathic pain. miR-381 is involved in various pathological processes. However, the role of miR-381 in neuropathic pain development remains barely understood. Therefore, in our study, we aimed to investigate the effects of miR-381 on the process of neuropathic pain progression by establishing a rat model using chronic sciatic nerve injury (CCI). Here, we observed that miR-381 was dramatically decreased in CCI rats. Up-regulation of miR-381 strongly reduced neuropathic pain behaviors including mechanical and thermal hyperalgesia. In addition, inflammatory cytokine expression, including IL-6, IL-10 and TNF-α were significantly repressed by overexpression of miR-381. High mobility group box 1 protein (HMGB1) and Chemokine CXC receptor 4 (CXCR4) participate in neuropathic pain development. In our present study, HMGB1 and CXCR4 were predicted as direct targets of miR-381 by employing bioinformatics analysis. Overexpression of miR-381 was able to restrain the expression of HMGB1 and CXCR4 greatly. The direct correlation between HMGB1 and CXCR4 and miR-381 was confirmed in our research. Furthermore, we found that HMGB1 and CXCR4 were increased in CCI rats time-dependently. Moreover, it was demonstrated that silence of HMGB1 and CXCR4 in CCI rats depressed neuropathic pain progression greatly. In conclusion, it was indicated that miR-381could inhibit neuropathic pain development through targeting HMGB1 and CXCR4. [ABSTRACT FROM AUTHOR]

[Display omitted] • CaCu 3 Ti 4 O 12 (CCTO) was firstly adopted to activate sulfite for As(III) removal. • Cu and Ti bimetals heterogeneously activate sulfite on the catalyst interface. • SO 4 •− was predominately responsible for As(III) oxidation. • A kinetic model of CCTO/sulfite system was established. A new activation technology for sulfite (S(IV)) using a perovskite CaCu 3 Ti 4 O 12 (CCTO) catalyst has been proposed to remediate the As(III) polluted water. When 0.05 g·L−1 CCTO and 0.4 mmol·L−1 S(IV) were mixed, 90.6% of As(III) could be removed in 30 min at an initial pH of 8.0. Dissolved oxygen played an indispensable role in the reaction. CCTO can interact with S(IV) via a heterogeneous catalytic route on its surface. Electrochemical characterization indicated that the electron transfer process between the surface Cu/ Ti atoms and S(IV) ions evoked the activation of S(IV), leading to the generation of SO 4 •−, which played a dominant role in the oxidation of As(III). Density functional theory (DFT) calculations have disclosed the spontaneous adsorption of sulfite on CCTO surface. A kinetics study determined the steady-state concentration of SO 4 •− to be 4.29 × 10−14 mol·L−1, which reacts with As(III) with a second-order reaction rate constant of 3.83 × 1010 L·mol−1·s−1. Furthermore, the CCTO catalyst was highly reusable, the structure of which did not significantly alter during the reaction. Therefore, the CCTO/S(IV) system is a promising and efficient advanced oxidation technique for the purification of As(III) in water. [ABSTRACT FROM AUTHOR]

In the present study, we report a direct and nondestructive method to functionalize carbon nanotubes (CNTs). Novel highly reactive diarylcarbene derivative is designed and synthesized. Different to previous approaches, this diarylcarbene contains atomic transfer radical polymerization (ATRP) initiator segments, which can serve as starting points for further polymer grafting. Then, the initiator segments are covalently bonded to the CNTs via one-step cycloaddition of diarylcarbene and the succeeding ATRP links polystyrene (PS) chains to the CNTs. In order to further verify the effectiveness of modification, we use the obtained CNTs (PS- f CNTs) as reinforcement to enhance PS films. By addition 0.5 wt% PS-fCNTs, the PS composite films reveal 79.3 and 85.2% increases in tensile strength and Young's modulus. The protocol is believed to offer alternate strategy to modify the CNTs and greatly expand the application field of CNTs in material science. [ABSTRACT FROM AUTHOR]

[Display omitted] • Scalable and controllable fabrication of Ni3S2-embedded NiFe LDH porous nanosheets grown on Ni foam in a facile method for OER catalysis. • The Ni3S2-embedded NiFe LDH porous nanosheet integrates merits including abundant interfaces, rapid mass transfer, bubble release and modulated electronic structure. • NiOOH resulting from the in situ partial Ni3S2 phase transformation over an equally important electrically conductive Ni3S2 to drive proficient catalysis. • This OER catalyst only requires an overpotential of 303 mV to deliver 1 A cm-2 toward OER. Ni 3 S 2 -embedded NiFe LDH heterostructured porous nanosheets were in situ grown on nickel foam (Ni 3 S 2 -NiFe LDHs /NF) via a one-pot solution method mediated by NaHS at room temperature in 15 min. Benefiting from the abundant Ni 3 S 2 -NiFe LDH interfaces, the as-prepared catalyst delivers 50, 500 and 1000 mA cm−2 with an overpotential of only 230, 285 and 303 mV for oxygen evolution reaction, respectively, registering as one of the best performing non-precious metal OER catalysts. In situ and ex situ analysis reveal that the Ni 3 S 2 was in situ partially transformed under an electrooxidation environment into NiOOH over an equally important electrically conductive Ni 3 S 2 to drive proficient catalysis. This strategy can be extended to fabricate Ru-Ni 3 S 2 -NiFe LDHs/NF electrocatalyst for high active hydrogen evolution reaction. Coupling these two catalysts achieved remarkable current densities of 10, 100 and 500 mA cm−2 at low voltages of 1.47, 1.71 and 1.85 V upon driving overall water splitting, respectively, superior to the performance of current industrial catalysts (200–400 mA cm−2 at 1.8–2.40 V). [ABSTRACT FROM AUTHOR]

There is a growing interest in the correlation between working time and environmental pressures, but prior empirical studies were mostly focused on static methods within limited country groups. To fill the gap, this study aims to stimulate the discussion by distinguishing between different time periods for developed and developing country groups respectively. In particular, we contribute to a further understanding of the environmental effects of working time reduction policies by comparing the differences under the dynamic framework of system Generalized Method of Moments. We applied this dynamic panel regression approach for 55 countries worldwide over the period 1980–2010, and employing carbon emissions per capita as the environmental indicator. In general, results confirmed the significant relationship between hours of work and environmental impacts in developed economies, although this is not the case for the developing counterparts. Interestingly, the significant correlations for the developed country group turned from positive during the first sub-period (1980–2000) to negative during the second sub-period (2001–2010). Connecting these results with previous literature, we proposed the reasons of rebound energy use derived from certain leisure activities which were more energy-intensive if excessive non-working time provided. [ABSTRACT FROM AUTHOR]

Summary α Helices are a basic unit of protein secondary structure and therefore the interaction between helices is crucial to understanding tertiary and higher-order folds. Comparing subtle variations in the structural and sequence motifs between membrane and soluble proteins sheds light on the different constraints faced by each environment and elucidates the complex puzzle of membrane protein folding. Here, we demonstrate that membrane and water-soluble helix pairs share a small number of similar folds with various interhelical distances. The composition of the residues that pack at the interface between corresponding motifs shows that hydrophobic residues tend to be more enriched in the water-soluble class of structures and small residues in the transmembrane class. The latter group facilitates packing via sidechain- and backbone-mediated hydrogen bonds within the low-dielectric membrane milieu. The helix-helix interactome space, with its associated sequence preferences and accompanying hydrogen-bonding patterns, should be useful for engineering, prediction, and design of protein structure. [ABSTRACT FROM AUTHOR]

Highlights: [•] Surfactant molecular structure strongly affects rheological properties of systems. [•] Mixed system of gemini 12-3-12 and sodium dodecylsulfonate has low viscosity peaks. [•] Rodlike micelle-to-vesicle transition leads to low viscosity peaks of mixed system. [•] Salt effect depends on matching water affinities between counterions and head groups. [ABSTRACT FROM AUTHOR]

Abstract: A recombinant inbred line (RIL) population bred from a cross between a javanica type (cv. D50) and an indica type (cv. HB277) rice was used to map seven quantitative trait loci (QTLs) for thousand grain weight (TGW). The loci were distributed on chromosomes 2, 3, 5, 6, 8 and 10. The chromosome 3 QTL qTGW3.2 was stably expressed over two years, and contributed 9–10% of the phenotypic variance. A residual heterozygous line (RHL) was selected from the RIL population and its selfed progeny was used to fine map qTGW3.2. In this “F2” population, the QTL explained about 23% of the variance, rising to nearly 33% in the subsequent “F2:3” generation. The physical location of qTGW3.2 was confined to a ~556kb region flanked by the microsatellite loci RM16162 and RM16194. The region also contains other factors influencing certain yield-related traits, although it is also possible that qTGW3.2 affects these in a pleiotropic fashion. [Copyright &y& Elsevier]

[Display omitted] • Cu 3 N@CoNiCHs heterostructures are fabricated as bifunctional electrocatalysts for HER and OER in alkaline electrolyte. • Cu 3 N@CoNiCHs integrate merits including abundant active sites, rapid charge transfer, and modulated electronic structure. • The dual-phase transformation of Cu 3 N@CoNiCHs during electrolysis provides active sites for HER and OER, respectively. • The Cu 3 N@CoNiCHs not only exhibit excellent HER and OER performance but also accelerate overall water splitting. The intensive pursuit of cost-effective electrocatalysts capable of enabling highly efficient and stable water splitting comprised of hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), is quite imperative but challenging. Herein, a 3-dimensional (3D) hierarchical architecture consisted of copper nitride (Cu 3 N) and Co-Ni carbonate hydroxides (CoNiCHs) on copper foam (CF) was synthesized, and the Cu 3 N@CoNiCHs@CF requires quite small overpotentials (η s) of 182 and 155 mV to afford current density (j 10) of 10 mA cm−2 for HER and OER, respectively. More importantly, it requires a comparably low potential of 1.58 V to deliver j 10 upon driving overall water splitting due to an optimal integration of the 3D hierarchical configuration and the desirable interface interplay of Cu 3 N and CoNiCHs, outperforming those of noble metals and most of the benchmarking bifunctional electrocatalysts. This study paves an attractive way to better unraveling the interface interplay over hierarchical architectures with very promising electrocatalytic activity. [ABSTRACT FROM AUTHOR]

Abstract: The grand canonical Monte Carlo (GCMC) simulation study on the separation performance of zeolites (MFI, MOR, CFI and DON) and carbon nanotubes (CNTs) to ethanol–water mixtures is reported. The calculation is performed with different bulk percentage under the ambient temperature and pressure. The results show zeolites prefer water to ethanol and could be used for ethanol dehydration. Only water can enter CNT55, but for other CNTs, because the CNT is more hydrophobic than zeolite, the selectivity of CNTs to ethanol is larger than 1, and CNT77 is very fit to condense dilute ethanol solution. CNT77 show excellent performance for its special nanoscale. It prefers ethanol to water in all fraction range. [Copyright &y& Elsevier]

Abstract: Dry seeds of Nicotiana tabacum (L) cv. K346 were flown with a recoverable satellite, the Chinese “Shen Zhou III” for 162h. After spaceflight, a crinkly leaf and delay flowering mutant of tobacco (T-cldf), which phenotype differed from the ground control (K346), was obtained from the seedlings after 48d of the recoverable satellite-flown seeds germination. Major characteristics of T-cldf phenotype included crinkly leaf with outgrowth of the adaxial surface among the secondary veins and delay flowering. Amplified fragment length polymorphism (AFLP) analysis showed that five polymorphic bands were detected between T-cldf and ground control. The results suggested that recoverable satellite-flown condition could bring inheritable mutagenic effects on tobacco seeds and maybe used as a tool for accelerating the progress in tobacco breeding. [Copyright &y& Elsevier]

A neutral nickel σ-acetylide complex [Ni(C&z.tbnd6;CPh)2(PBu3)2] (NBP) is used for possible atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA) in conjunction with an organic halide as an initiator [R–X: CCl4, CH3Cl, BrCCl3, C2H5Br, and C5H9Br] in toluene at 80 °C. Among these initiating systems, BrCCl3/NBP gave the best controlled radical polymerization of MMA and produced polymer with relatively narrow molecular weight distribution (Mw/Mn≈1.3). The ATRP of MMA is preliminarily identified by the following facts: (1) the present MMA polymerization initiated by BrCCl3/NBP is completely hindered by the addition of TEMPO; (2) the conversion shows a typical linear variation with time in semilogarithmic coordinates; (3) the measured number-average molecular weights of polymer show a linear increase with conversion and agree closely with the theoretical values; (4) the resulting polymer chain contains a dormant carbon–halogen terminal. [Copyright &y& Elsevier]

This work investigates the effect of zwitterionic molecules on ionic association in ethylene oxide (EO)-based electrolytes using molecular dynamics simulations. Zwitterionic molecules can associate with cations and anions because they possess both positively and negatively charged groups. This unique feature can be leveraged to develop electrolytes with high ionic conductivity if we understand how zwitterionic molecules influence ionic associations. We investigate the ionic associations in the electrolytes composed of oligo(ethylene oxide) (EO) (EO x , x = 2, 3, 4, and 5), LiTFSI and zwitterionic molecules containing cationic imidazole group and anionic sulfonate group using molecular dynamics simulations. The analyzed properties include the radial distribution functions between Li+, [TFSI]-, EO x and zwitterionic molecules, the structures and dynamics of Li+-[TFSI]-, Li+- EO x and Li+-zwitterion associations, and the diffusion coefficients of Li+, [TFSI]-, EO x and zwitterionic molecules. The simulation results show two distinct effects of zwitterionic molecules on ionic associations in the electrolytes. First, they could release Li+ from the trapping effect of EO x chains and accelerate Li+ transport. Second, they can associate with Li+ themselves and slow down the Li+ transport. The competition between these two effects relates to the length of the EO x chains. Our simulations suggest that zwitterionic molecules could help manipulate the ionic conductivity of polyethylene oxide electrolytes. Image 1 [ABSTRACT FROM AUTHOR]

By first-principles calculation, elastic properties of seven single phase high-entropy alloys (HEAs) with excellent properties are presented in our work. A new method Maximum Entropy (MaxEnt) was adopted. The method is an algorithm that can be used to study the lattice distortion effect of HEAs. CP2K first-principles simulation package was employed for calculation. The comparison of calculated elastic properties of TaNbHfZrTi with experimental data is made and the agreement is found to be quite good. Elastic properties of AlMoNbTiV are close to the calculated data from Coherent Potential Approximation (CPA), and the reasons were discussed. The influence of lattice distortions on elastic properties were also studied. Furthermore, elastic properties of a series of refractory HEAs were predicted. These results demonstrate that MaxEnt model can properly describe HEAs. [ABSTRACT FROM AUTHOR]

The NO 3 -initiated reactions of CH 3 OCH 3 and CH 3 OCH 2 CH 3 have been investigated by the BHandHLYP method in conjunction with the 6–311G(d,p) basis set. Thermodynamic and kinetic data are further refined using the comparatively accurate CCSD(T) method. According to the values of reaction enthalpies ( Δ H r , 298 θ ) and reaction Gibbs free energies ( Δ G r , 298 θ ) from CH 3 OCH 2 CH 3 with NO 3 system, we find that H-abstraction pathway from the α-CH 2 group is more exothermic. It is further confirmed by the calculated C H bond dissociation energy of CH 3 OCH 2 CH 3 molecule. All the rate constants, computed through means of canonical variational transition state with small-curvature tunneling correction, are fitted to the three-parameter expressions k 1 = 1.54 × 10 −23 T 3.34 exp(−1035.53/ T ) and k 2 = 3.55 × 10 −26 T 4.31 exp(−281.24/ T ) cm 3 molecule −1 s −1 and branching ratios are computed over the temperature range 200–600 K. The branching ratios are also discussed. The atmospheric lifetimes of CH 3 OCH 3 and CH 3 OCH 2 CH 3 determined by the NO 3 radical are about 270 and 29 days, respectively. [ABSTRACT FROM AUTHOR]

Due to its novel physical, chemical and mechanical properties, graphene has great potential to be applied in composite science. However, the inert chemical structures with low surface energy and low solubility in both organic and aqueous solution are the major bottleneck for real applications. Chemical functionalization of graphene is one of the effective solutions to address the above challenges. In the present study, novel highly reactive diarylcarbene derivative is designed and synthesized. Different to previous approaches, this diarylcarbene derivative contains reactive epoxy groups, which can serve as anchoring sites for further modification. Then, reactive epoxy groups are introduced to graphene via one-step diarylcarbene cycloaddition. The modification is observed spectroscopically, and the obtained graphene (DC-GR) can be well-dispersed in organic solvent, such as acetone and dichloromethane. In order to further verify the effectiveness of modification, we use DC-GR as reinforcement to enhance epoxy resin. Both thermal and mechanical properties of the composites are improved significantly at low DC-GR content loading. The enhancement is believed to be attributed to the strong interfacial interactions between DC-GR and the matrix via epoxy groups. This study provides alternate strategy to modify the graphene, which will greatly expand the application field of graphene in composite science. [ABSTRACT FROM AUTHOR]

[Display omitted] • Hydrogen bond microstructure of DESs and lignin played a major role in dissolution. • Strong dissolution abilities of the Lac:ChCl and Oxa:ChCl solvents for GGM and GSM were due to the different HB interactions. • Large extended structure of lignin would increase the active exposed areas of β–O–4 bond in DES solvents. • Small |HOMO–LUMO| gap suggested that GGM and GSM had high reactivities in the Lac:ChCl and Oxa:ChCl solvents. • Average surface potential charge confirmed that solvents had different solubilities and effects on the β–O–4 bond. Acid choline chloride (ChCl)–based deep eutectic solvents (DESs), are widely used as effective green solvents of lignin, which contributes to the high–value application of biomass. Understanding the underlying microscopic-scale lignin dissolution mechanism of different acid ChCl–based DESs is important for further DES design due to the heterogeneous and refractory structure of lignin. In this study, we employed molecular dynamics and quantum mechanics methods to investigate the behavior of lignin dimers (guaiacyl–guaiacyl [GGM] and guaiacyl–syringyl [GSM] dimers) in three acid ChCl–based DESs ([i] lactic acid [Lac]:ChCl [2:1], [ii] levulinic acid [Lev]:ChCl [2:1], and [iii] oxalic acid [Oxa]:ChCl [1:1]). Results showed that the dissolution tendencies of different lignin dimers in the three solvents followed different orders. Microstructural analysis revealed that the microstructure of the hydrogen bond (HB) between DESs and lignin dimer played a major role in dissolution. The high dissolution abilities of the Lac:ChCl and Oxa:ChCl solvents for GGM and GSM, respectively, can be attributed to the strong HB interactions between acid–GGM and Chol–GSM, respectively. Moreover, the large extended structure of the lignin dimer would increase the active area (β–O–4 had a large exposed area) in DES solvents. The highest occupied molecular orbital and lowest unoccupied molecular orbital gap between lignin dimers and choline molecules in the three solvents suggested that GGM and GSM had higher reactivities in Lac:ChCl and Oxa:ChCl solvents, respectively, than in other solvents. Finally, the statistical analysis of average surface potential charges further confirmed the different solubilities of the three solvents for different lignin dimers and their effect on β–O–4 bonds. [ABSTRACT FROM AUTHOR]

[Display omitted] • CoFe-LDH was applied to activate S(IV) for the first time. • A Co-Fe bimetal synergistic effect on electron transfer was confirmed. • The Co/Fe molar ratio greatly affects the generation of reactive species. • BPA is effectively degraded through both radical and non-radical pathways. The sulfite (S(IV))-based advanced oxidation process is an emerging approach for the treatment of phenolic pollution. In this study, CoFe-layered double hydroxides (CoFe-LDHs), showing superior physicochemical properties as catalysts, were applied to activate S(IV) for bisphenol A (BPA) degradation. The results show that the Co/Fe molar ratios play a crucial role in regulating the physicochemical properties, degradation capacity, and activation mechanism of the catalysts, with Co 3 Fe 1 -LDH exhibiting the best performance in BPA degradation. The degradation of BPA is significantly influenced by pH and dissolved oxygen, and proceeds through bimetallic synergism and both radical and non-radical pathways. However, with increasing Co/Fe ratio, SO 4 •− gradually assumes a more prominent role in degradation by the system, and the contributions from high-valent metals and HO• gradually diminish. Additionally, the system brought about a substantial reduction in toxicity after degradation, and the catalyst demonstrated promise in consecutive recycling experiments, the degradation of other organics, and tests in actual water bodies. [ABSTRACT FROM AUTHOR]

• Spring freeze–thaw process led to higher soil aggregate stability than autumn. • Snow cover could increase the soil aggregate turnover time. • Autumn freeze–thaw process decreased mass loading of Cd in large aggregates. • Seasonal freeze–thaw process decreased the release amounts of Cd in soil. • The residual fraction contributed most of the release of Cd from soil. Seasonal freeze–thaw action has been shown to influence the behaviors of heavy metals in soil by changing soil aggregate formation, stabilization, and breakdown. Using rare earth oxides tracing method, this study conducted in-situ seasonal freeze–thaw experiments to examine the links between aggregate turnover behaviors and cadmium (Cd) release kinetics in black soil. Higher stability and longer turnover time of soil aggregates after spring freeze–thaw process than those just experienced autumn freeze–thaw process were found. Changes of the Cd distribution in different aggregates during the freeze–thaw process were mainly driven by soil aggregate transformations. Autumn freeze–thaw events increased the exchangeable Cd amounts in bulk soil and ≥ 0.25 mm aggregates, while no difference was found for the soils subjected to spring freeze–thaw events. The freeze–thaw process decreased the amounts of Cd released from soil, and the lowest amounts were found in the spring snow-removed treatment. Redundancy analysis indicated that the exchangeable, reducible, and residual Cd fractions accounted for most of the variations in Cd release. This study is the first to apply rare earth oxides as an approach to uncover the role of soil aggregate turnover dynamics in explaining the environmental behaviors of heavy metals in seasonal freeze–thaw regions. [ABSTRACT FROM AUTHOR]

Magnetorheological fluid is widely used in magnetorheological polishing as a smart material. The settlement stability of magnetorheological fluids plays a crucial role in determining the final polishing results. However, balancing viscosity growth with improved settlement stability is a challenge. This paper experimentally investigated the effects of different surfactant combinations on the settlement stability and viscosity of magnetorheological polishing fluids, and the experimental results showed that; using the combination of 0.25 ml Span 80 and 0.25 ml Tween 60, the deposition rate of magnetorheological solution was 68.5 %, and the zero-field viscosity was 2.3 mPa·s. Polishing experiments were carried out using the configured magnetorheological fluid, and the surface roughness of the workpiece was improved considerably with good results. Magnetorheological fluids with high settling stability also help to reduce the deposition of nanoparticles on the surface of the workpiece and improve the cleaning effect on the surface of the workpiece. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract: One popular postulation in the design of a nonfouling surface is that a surface capable of resisting nonspecific protein adsorption should also resist bacterial adhesion and subsequent biofilm formation. Such a hypothesis, though valid in certain cases, oversimplifies complex biological systems, since they contain not only proteins but also other biomacromolecules, such as polysaccharides. This work aims to re-examine this postulation by testing the biofouling of polysaccharides onto protein-resisting zwitterionic surfaces in the presence of a multivalent cation. Our results show that Mg2+ plays an important role in mediating alginate adsorption onto zwitterionic surfaces through ion-bridged interactions from surface plasmon resonance (SPR) experiments. Three zwitterionic polymers tested in this work have clearly different responses to changes in Mg2+ concentration, indicating that such ion-bridged adsorption is strongly dependent on cation-zwitterionic polymer binding affinities and is dictated by the specific chemical structure of the polymer betaine side chain. This work underlines the necessity to go beyond current nonfouling criteria at the protein level and to take into account polysaccharides when it comes to complex environments. [Copyright &y& Elsevier]

Patients expressing mutations in the gene encoding the gap junction protein Cx43 suffer from a disease called oculodentodigital dysplasia (ODDD). Patients with ODDD are often reported to develop hair that is dry, dull, sparse, and slow growing. To evaluate the linkage between Cx43 and hair growth, structure, and follicle density we employed a mouse model of ODDD that harbors a Cx43 G60S point mutant. Regionally sparse and overall dull hair were observed in mutant mice compared with their wild-type (WT) littermates. However, histological analysis of overall hair follicle density in mutant and WT mice did not reveal any significant differences. After epilation, mutant mouse hair grew back slower, and hair growth was asynchronous. In addition, ultrastructural scanning electron microscopic imaging of hair fibers taken from mutant mice and two patients harboring the G143S mutation revealed severe cuticle weathering. Nodule formation was also observed in the proximal region of hair fibers taken from mutant mice. These results suggest that the G60S mutant mouse model mimics the hair phenotype found in at least some ODDD patients and suggests an important role for Cx43 in hair regeneration, growth, and cuticle formation. [ABSTRACT FROM AUTHOR]

Abstract: The behaviors of the ionic hydration in nanopore are of both biological and chemical interests. Using carbon nanotube (CNT) as the 1-D nanopore model, we investigated the effect of the modified groups (Cing on the pore inner wall on the hydration of Li+, Na+ and K+ with molecular dynamics simulation. The structures of the water molecules around the cations confined in the modified CNTs were compared with their counterparts in the pristine CNTs. Among the three cations, the sequence of the sensitivity for the spatial and orientation distributions of the water molecules in the first coordination shells is: K+ >Na+ >Li+. The same modification results in the opposite effects for the ionic hydration inside the (10, 10) and (8, 8) CNTs. Inside the (10, 10) CNT, the modification enhances the ionic hydration, whereas inside the (8, 8) CNT, the ionic hydration is weakened by the modification of CNT wall. [ABSTRACT FROM AUTHOR]

In China, the tobacco distribution is organized by fixed districts and routes with low efficiency and high distribution cost due to its unbalanced workload. And, though the dynamic method adopting vehicle routing algorithms produces optimal routes, the unstable routes increase the delivery time and managerial cost. So it is urgent and feasible to break the fixed districts to provide periodic balanced partitions for tobacco distribution. In this paper, a multi-criteria balanced partition model is built, whose minimal objectives including total number of tours in all districts, the travel distance and time of all tours, and the balance objectives include number of tours, total demand, traveling distance and time of each district are considered. An immune co-evolutionary algorithm with two stages is designed to search the optimal balanced partitions. In the first stage, the initial balanced partitions are produced. In the second stage, the clonal selection procedure, with partition proliferation, selection and elimination, and cooperative searching among districts, is adopted to achieve balanced partition. The experiments on Lenfen city in China as a practical application reveal the efficiency of the proposed model and algorithm. First, the searching processes are analyzed by exploring the partitions and Pareto partitions. Second, the evolutionary process of the algorithm is shown by the varying of the multiple objectives. Finally, three methods including fixed districts and routes, dynamic VRP scheduling and periodic balanced partition are compared to show the value of the study. [Copyright &y& Elsevier]

Abstract: The coefficient of thermal expansion (CTE) is one of the critical design parameters for the application of materials in cryogenic engineering and study of available results demonstrates that thin films have different properties from their bulk counterparts. However, few universal techniques have been developed to measure the CTE of thin films at cryogenic temperatures. Furthermore, the possible effect of the applied stress levels on CTE testing results has not received enough attention. In this study, two novel testing methods, one direct and the other indirect, for determining the CTE of thin films under different applied stress levels at cryogenic temperatures are proposed. The test temperature is from room temperature to 77K and a lower temperature could be reached. Advantages of the two methods are also discussed. [Copyright &y& Elsevier]

• The high level N-doped Co@NCNTs composites via one-step pyrolysis derived from adenine-based MOFs. • Adenine as an endogenous nitrogen source to apparently increase the N content of the material. • The prepared magnetic Co-based catalysts imply excellent catalytic activity and reusability even after five cycles. Nitrogen-doped porous Co@NCNT-1/11 catalysts with Co nanoparticles encapsulated in the nitrogen-rich carbon materials in situ grown CNTs were successfully synthesized through a one-step pyrolysis method for the reduction of aromatic nitro organics. ga1 A rational and convenient strategy was designed to synthesize high level N-doped Co@NCNTs composites derived from adenine-based AD-MOF-1 and Bio-MOF-11 via one-step pyrolysis method. Adenine can be used as an endogenous nitrogen source to apparently increase the N content of the materials. N-rich CNTs form a protecting layer for Co nanoparticles to avoid the aggregation of metal nanoparticles. The abundant nitrogen content can enhance electronic conductivity and bring additional active sites. The prepared Co@NCNTs display high catalytic efficiency for various nitro aromatics reduction in aqueous solution. The Co@NCNT-1-800 implies outstanding catalytic efficiency of 96% for the reduction of 4-NP. A mechanistic analysis revealed the abundant Co catalytic sites on the surface of catalysts to promote electron transfer efficiency and improve catalytic performance significantly. Moreover, the magnetic Co-based catalysts remained excellent catalytic activity and reusability even after five cycles. [ABSTRACT FROM AUTHOR]

• Ce (Mn) incorporation improved the activity and hydrothermal stability of Cu-SSZ-39. • More active CuO crystallites and stronger acidity contribute high activity after Ce/Mn addition. • Stable structure, acidity and less large Cu oxides promote MnCu-SSZ-39 hydrothermally stable. • Cu2+ ion re-distribution to ion exchange sites during hydrothermal process over MnCu-SSZ-39. • NH 3 -SCR reaction over MnCu-SSZ-39 follows L–H", E–R, and "Fast SCR" mechanisms. In this work, Ce and Mn were added to Cu-SSZ-39 zeolites by ion-exchange process, and their activity performance for selective catalytic reduction of NO x with ammonia (NH 3 -SCR), especially hydrothermal stability (hydrothermal aging at 750, 800, 850 °C) was investigated systematically. It is found that the addition of Ce and Mn, Mn more evidently, both can greatly improve the activity of Cu-SSZ-39 catalyst. Moreover, MnCu-SSZ-39 catalyst have shown superior hydrothermal stability compared with Cu-SSZ-39 catalyst, and outstandingly its activity is not only not decreased significantly like Cu-SSZ-39 but improved obviously after hydrothermal aging at as high as 850 °C. The high and improved activity of Ce and Mn added Cu-SSZ-39 is ascribed to more active CuO crystallites formation in the inner channel and higher acidity strength. The superior hydrothermal stability of MnCu-SSZ-39 may be due to its well-preserved structure and acid density even after hydrothermal aging at as high as 850 °C. Moreover, during the hydrothermal aging process, not only Cu oxides aggregation is inhibited, but also more Cu2+ ion species are induced to ion exchange sites in MnCu-SSZ-39, which may account for its excellent hydrothermal stability (even higher than the activity of fresh samples). The mechanism analysis has shown NH 3 -SCR reaction over Cu-SSZ-39 and CeCu-SSZ-39 samples follow the "Langmuir–Hinshelwood" (L-H) mechanism, while on MnCu-SSZ-39, it follows both "L–H" and "Eley–Rideal" (E–R) mechanisms, which may also be another reason for its excellent activity and hydrothermal stability. Moreover, "Fast SCR" mechanisms also occur and contribute over hydrothermal aged A-MnCu-SSZ-39 sample, in addition to "L-H" and "E-R" mechanisms. Thus, the easily prepared MnCu-SSZ-39 catalyst has shown the excellent activity and super hydrothermal stability, with 90% NO conversion at 245 °C and broader temperature window of 245 °C to 550 °C, even after hydrothermal aging at 850 °C, therefore indicate great potential for future application in NO x purifying from diesel engine exhaust. [ABSTRACT FROM AUTHOR]

[Display omitted] • Persulfate is synergistically activated by hybrid homogeneous-heterogeneous process. • SO 4 •−, •OH and Fe(IV) made concerted efforts to phenol degradation. • A new formation path of aqueous Fe(IV) in Fe2+/persulfate system was proposed. • The effect of Fe(IV) on phenol degradation was disclosed from a DFT perspective. • Various phenolic compounds were effectively degraded in FeO/persulfate system. This study presents new findings on persulfate (PDS) activation by iron(II) oxide (FeO). PDS was activated through both homogeneous and heterogeneous approaches, while the latter played a dominant role. The species responsible for phenol oxidation were identified as SO 4 −, OH, and high-valent Fe(IV). A new possible formation pathway of aqueous Fe(IV) is proposed, involving electron transfer between SO 4 −/OH and Fe(III)–OH complex. Density functional theory calculations support that Fe(IV) is apt to attack phenol by electrophilic addition on the benzene ring and hydrogen atom abstraction on the phenolic hydroxyl group. Phenol removal was accelerated at a higher catalyst dosage or PDS concentration but inhibited at higher pH. The coexistence of inorganic anions (e.g., PO 4 3−, SO 4 2−, NO 3 −, and Cl−) and fulvic acid have different effects on this system. Phenol degradation mainly occurred through hydroxylation and eventual ring-opening. In addition, the FeO/PDS system has not only achieved a high removal effect on other phenolic compounds but has also exhibited high performance in actual water. Thus, this system is anticipated to be a promising treatment technique for phenolic-polluted water. [ABSTRACT FROM AUTHOR]

The solid solution alloys containing short-range order (SRO) structure, such as CuNi alloys, are not well structurally described using conventional quasi-disordered models. Based on the first-principles calculations, the optimal cluster-plus-glue-atom (CPGA) models of six typical solid solution CuNi alloys were demonstrated. These CPGA models are better to be used to describe the microstructure of the six CuNi alloys at the atomic scale from the viewpoint of energy. Our further study shown that the stabilities of CPGA models are highly related to the symmetry of initial CPGA models and the aggregation degree of solute atoms in CPGA models. In the condition of low solute Ni concentration, the stability of CPGA model is mostly determined by the symmetry of initial CPGA model, the CPGA model with high symmetry is more stable. As the concentration of solute Ni increasing, the aggregation degree of solute Ni atoms in CPGA models plays more and more important role. The CPGA model with higher aggregation degree of solute Ni is more stable. The simple selection method of optimal CPGA models, therefore is proposed, and which can be extended to other bielement solid solution AB alloys with positive mixing enthalpy of A-B. Using the selected CPGA models, we found the third additive atoms having negative mixing enthalpy with solvent and solute atoms prefer to reside the central site of characteristic principal cluster (CPC) of CPGA, and thereby enhancing the stability of alloys. Our studies provide a distinctive perspective to select the optimal CPGA models of solid solution alloys containing SRO structure and design alloy using the optimal CPGA model. [ABSTRACT FROM AUTHOR]

A primary factor regulating the composition of the microbial community in the rhizosphere is carbon (C) efflux from root systems, which fundamentally influences microbial functions in the rhizosphere, such as biodegradation, plant growth, and rhizosphere signalling. However, information regarding the incorporation of plant-C by the bacterial community in the rhizosphere is limited, particularly in soybean. Soybean plants were grown in rhizo-boxes containing low- or high-organic C (C org ) Mollisols and labelled with 13 CO 2 at the flowering stage. After soil DNA was extracted from the rhizosphere, 13 C-DNA was separated from 12 C-DNA using the stable isotope probing method, followed by pyrosequencing analysis. Between soils, significant differences in the abundance of genera incorporating 13 C in the rhizosphere were observed, with Aquincola , Dechloromonas , Massilia , Amycolatopsis , Delftia , Magnetospirillum , Psychrobacter , Ochrobactrum , Pseudoxanthomonas and Niastella showing greater relative abundances in low-C org soil ( p < 0.05) compared to high-C org soil. However, the opposite trend was observed for Enhydrobacter , Flavisolibacter , Propionibacterium and Staphylococcus. Correspondingly, the number of operational taxonomic units in each genus varied between soils. Soil type greatly affected the flow of plant-C into rhizospheric bacterial community. The plant-C metabolizing bacteria may contribute to the transformation of rhizodeposits in the soil and soil C sequestration. [ABSTRACT FROM AUTHOR]

Solvent innovation has become a central task for improving the sustainability of chemical processes1. Deep eutectic solvents (DESs) emerge as environmentally friendly alternatives to toxic and volatile organic solvents. One appealing aspect for DESs is that they can be synthesized using naturally occurring compounds from biomass. Herein, we prepared novel hydrophobic DESs based on lignin derivatives and characterized their physicochemical properties including density, viscosity, and thermal behavior. The results showed that five lignin-derived hydrophobic DESs made from menthol, thymol, and 2,6-dimethoxyphenol were promising as green solvents due to their low viscosities and environmentally friendly constituents. To evaluate the potential application of these DESs, liquid-liquid extraction was performed to recover the typical biofuel fermentation products including acetone, ethanol, n -butanol, and isopentanol from aqueous solutions. High distribution coefficients, selectivity, and recovery rates for acetone, n -butanol, and isopentanol were achieved with the thymol: 2,6-dimethoxyphenol DESs. Moreover, molecular dynamic simulations were conducted to investigate the DES molecular interactions and formation mechanism. This work demonstrates the potential of lignin derived hydrophobic DESs for applications as sustainable extraction media. Hydrophobic deep eutectic solvents were prepared using lignin derivatives, which possess the potential as sustainable extractants. [Display omitted] • Novel lignin based hydrophobic deep eutectic solvents (DESs) were developed. • The DESs showed low viscosity and tolerance to low temperatures (as low as −75 °C). • The molecular interactions within the DES contributed to its properties. • The DESs can be applied as extractants for liquid-liquid extractions. • The lignin based hydrophobic DESs hold great promise as sustainable solvents. [ABSTRACT FROM AUTHOR]

The grain boundary (GB) is critical to the mechanical properties of NiAl. The addition of B in NiAl can lead to the increase of yield strength due to its segregation in GB. To elucidate the B-induced enhancement of GB, we investigate the segregation state and its strengthening mechanism of the additive B in the typical ∑5(3 1 0)[0 0 1] GB of NiAl at atomic scale using the first-principles method. Our calculations shown that the additive B atom prefers to segregate at the interstitial I 1 site of GB, in which case it is surrounded by four first-nearest-neighboring (1NN) and two second-nearest-neighboring (2NN) Ni atoms. It is found the segregated B prefers to bond with its neighboring Ni instead of Al atoms. Our calculations further shown not only the intergranular cohesion is improved by the covalent bonding between the segregated B and its four 1NN Ni atoms, but also the intra-planar cohesion of GB is enhanced by the covalent bonding between the segregated B and its two 2NN Ni atoms. The covalent bonding between B and Ni atoms mainly stem from the contribution of B- p and Ni- d states, partly from the weak interactions of B- s and Ni- s states. Our first-principles tensile test shown that the yield stress and ductility of NiAl are indeed improved due to the segregation of B in GB. [ABSTRACT FROM AUTHOR]

Extracellular matrix proteins of hard tissues are thought to play a key role in biomineralization, but whether other types of protein-derived biomolecules can promote the formation of mineralized crystals remains to be explored. Recent studies have shown that functional ultrashort peptides, which are less than seven amino acids in length, can partially replace the function of proteins and show unique physiological advantages. In this study, for the first time, we designed ultrashort peptides composed of several acid amino acids (serine and glutamic acid) based on the intrinsically disordered extracellular matrix proteins predicted by AlphaFold2 to explore new ideas for promoting the formation of hydroxyapatite crystals. We synthesized several ultrashort peptides with different amino acid combinations and lengths, such as SE and SESSE to evaluate the correlation between the sequence characteristics and biomineralization ability. The morphological characteristics of the crystals, cell adhesion with ultrashort peptides, and their role in tooth remineralization and bone formation were examined. In conclusion, ultrashort peptides can play an active role in the biomineralization in vivo and in vitro , which provides new insights into novel molecules that induce biomineralization and explores new therapeutic strategies for mineral loss. [Display omitted] • Novel IDR-based strategies were used to identify ultrashort peptide molecules. • S + E combination ultrashort peptide could induce hydroxyapatite mineralization. • Ultrashort peptide SESSE promoted dentin remineralization and bone formation. • Ultrashort peptide had dual mechanisms in biomineralization. [ABSTRACT FROM AUTHOR]

[Display omitted] • FeO was first used as a ferrous source for sulfite (S(IV)) activation. • DFT and electrochemical analyses confirm the little role of interface catalysis. • The Fe(II/III)–S(IV) complex geometry was determined from thermodynamics. • The RSE decreased with the increase of S(IV) concentration. • The FeO/S(IV) process has an advantage over FeO/persulfate and FeO/peroxymonosulfate. In this study, we constructed an advanced oxidation process using FeO for sulfite (S(IV)) activation. By selecting antidepressant fluoxetine (FLX) as the target, the FeO/S(IV) system's performance was investigated. Up to 84.4% of FLX could be rapidly eliminated in 17.5 min under optimal reaction conditions. The results confirmed that the S(IV) activation was dominantly attributed to the released Fe2+ from FeO, rather than an interface reaction, supported by theoretical calculations and electrochemical characterization. Besides, the Fe–S(IV) complex geometry was determined using density functional theory (DFT), indicating a Fe–O–S ligand form. Energy files demonstrate the decomposition of FeSO 3 + complex might be endothermic. These findings provide new insight into the Fe(II)/S(IV) mechanism. The generated SO 4 •− primarily caused FLX removal, where 23 product types were detected. The degradation pathway was proposed, mostly containing hydroxylation and ring-opening, which decreased the toxicity of FLX. Furthermore, the FeO/S(IV) system had good reusability and applicability, maintaining high efficiency in real water. Compared to peroxydisulfate and peroxymonosulfate, S(IV) had obvious advantages in FeO-induced activation. This research discloses a promising technology for the FeO/S(IV) water treatment system. [ABSTRACT FROM AUTHOR]

[Display omitted] • Cu 2 (OH) 2 CO 3 was firstly used to activate sulfite as a new advanced oxidation process. • Sulfite is synergistically activated by homogeneous and heterogeneous approaches. • SO 4 − and SO 5 − are mainly responsible for the oxidation of As(III) to As(V). • DFT calculations were performed to help understand the activation mechanism. • The toxicity of the Cu 2 (OH) 2 CO 3 /sulfite system decreased as the reaction proceeded. Arsenic is categorized as a class I carcinogen due to its strong biological toxicity. In this study, a novel treatment process with Cu 2 (OH) 2 CO 3 as catalyst is proposed, whereby As(III) in water is oxidized by activating sulfite to generate SO 4 − and SO 5 − radicals. Under conditions of [Cu 2 (OH) 2 CO 3 ] 0 = 0.01 g·L−1, [sulfite] 0 = 0.3 mmol·L−1, and initial pH 8.0, 94% of As(III) was converted into As(V) within 20 min, whereby dissolved oxygen had a pivotal impact on the reaction. However, HCO 3 −, humic acid, and fulvic acid all significantly inhibited the oxidation. Heterogeneous electron transfer on the catalyst surface and homogeneous dissolved Cu2+ jointly activated sulfite in the Cu 2 (OH) 2 CO 3 /sulfite system, with the heterogeneous process predominating. Density functional theory (DFT) calculations disclose a dominate physical adsorption of sulfite on Cu 2 (OH) 2 CO 3 surface with 1.74 electrons transferred. >90% of As(III) was still oxidized after recycling the material five times, indicating excellent reusability. Overall, it shows good potential for application in the removal of As(III) from real water samples. [ABSTRACT FROM AUTHOR]

Abstract: The biomedical applications of current self-healing materials are largely impeded by their healing conditions, which usually require heating, UV exposure or harsh pH environments. At the same time, for very few existing spontaneously self-healing materials, healing can only be achieved immediately after rupture occurs. Here, we developed a spontaneously healing material, driven by a new mechanism, “zwitterionic fusion”, which is repairable independent of time after damage under physiological conditions. We also tested the anti-fatigue property of this zwitterionic hydrogel. Furthermore, we utilized this zwitterionic fusion to link different cell-hydrogel constructs together. [Copyright &y& Elsevier]

It has been suggested that the mitochondrial chimeric gene orfH79 is the cause for abortion of microspores in Honglian cytoplasmic male sterile rice, yet little is known regarding its mechanism of action. In this study, we used a mass spectrometry- based quantitative proteomics strategy to compare the mitochondrial proteome between the sterile line Yuetai A and its fertile near-isogenic line Yuetai B. We discovered a reduced quantity of specific proteins in mitochondrial complexes in Yuetai A compared with Yuetai B, indicating a defect in mitochondrial complex assembly in the sterile line. Western blotting showed that ORFH79 protein and ATP1 protein, an F1 sector component of complex V, are both associated with large protein complexes of similar size. Respiratory complex activity assays and transmission electron microscopy revealed functional and morphological defects in the mitochondria of Yuetai A when compared with Yuetai B. In addition, we identified one sex determination TASSELSEED2-like protein increased in Yuetai A, leading to the discovery of an aberrant variation of the jasmonic acid pathway during the development of microspores. [ABSTRACT FROM AUTHOR]

Abstract: Marfan syndrome (MFS) is an autosomal dominant condition with pleiotropic manifestations involving the skeletal, ocular, and cardiovascular systems. The diagnosis is based primarily on clinical involvement of these and other systems, referred to as the Ghent criteria. We have identified three Hispanic families from Mexico with cardiovascular and ocular manifestations due to novel FBN1 mutations but with paucity of skeletal features. The largest family, hMFS001, had a frameshift mutation in exon 24 (3075delC) identified as the cause of aortic disease in the family. Assessment of eight affected adults revealed no major skeletal manifestation of MFS. Family hMFS002 had a missense mutation (R1530C) in exon 37. Four members fulfilled the criteria for ocular and cardiovascular phenotype but lacked skeletal manifestations. Family hMFS003 had two consecutive missense FBN1 mutations (C515W and R516G) in exon 12. Eight members fulfilled the ocular criteria for MFS and two members had major cardiovascular manifestations, however none of them met criteria for skeletal system. These data suggest that individuals of Hispanic descent with FBN1 mutations may not manifest skeletal features of the MFS to the same extent as Caucasians. We recommend that echocardiogram, ocular examination and FBN1 molecular testing be considered for any patients with possible MFS even in the absence of skeletal features, including Hispanic patients. [Copyright &y& Elsevier]

Abstract: The effect of large range Be addition (0–20.83at.% Be) on the lattice distortion as well as dislocation mobility in TiAl was examined by density functional theory (DFT) calculations. The calculation of the formation energy showed that Be obviously decreases the phase stability. The shearing energy barrier of the TiAl alloys with Be solute is weakened by stages during the static shear deformation process. Further analysis of the partial density of states reveals that the physical origin is closely related with the content and atomic configuration of Be. The weakening effect of shearing energy barrier at the first stage occurs because of the decrement in the phase stability, which is induced by low Be addition related long-range alloying effect. The notable weakening effect at the second stage originates from the reduced p–d and enhanced p–p bonding, which is induced by large Be addition related short-range alloying interaction. [Copyright &y& Elsevier]

Abstract: Grand canonical Monte Carlo and configurational bias Monte Carlo techniques were employed to simulate the adsorption of binary mixtures of butane isomers and quaternary mixtures in nine zeolites at 300K. For binary mixtures the results show there is a critical pore size, which is 10-membered-ring about 5.6Å. The channel sizes of BEA, ISV, MOR and CFI are larger than this critical pore size, they prefer i-butane than n-butane, whereas TON with smaller channel size than critical pore size prefers n-butane than i-butane, but its selectivity decreases with pressure increasing. MFI, MEL and TER prefer i-butane than n-butane at low pressure, but with pressure increasing, the selectivity is reversed. BOG prefers i-butane than n-butane but the selectivity decreased with pressure increasing. It demonstrates that the adsorption and selectivity are controlled by both pore size and pore structure. The n-butane–i-butane–n-pentane–2-methylbutane quaternary mixtures adsorbed in these nine zeolites were studied, and the results show alkane chain length dependence at low pressure, but the adsorption is controlled by pore size and structure with pressure increasing in all the zeolites except for TON and BOG. [Copyright &y& Elsevier]

• Nrf2 gene was cloned from Cristaria plicata. • Microcystins could affect the expression of ARE-driven genes via Nrf2/ARE pathway. • After CpNrf2 knockdown, effect of microcystins on ARE-driven enzyme mRNA was more stable. Microcystin (MC) is a cyclic heptapeptide toxin. Nuclear factor erythocyte 2-related factor 2 (Nrf2) can enhance cellular survival by mediating phase 2 detoxification and antioxidant genes. In this study, CpNrf2 cDNA sequences were cloned from freshwater bivalve Cristaria plicata. The full-length CpNrf2 cDNA sequence was 4259 bp, and its homology was the highest with Mizuhopecten yessoensis , reaching 46%. CpNrf2 transcription levels were examined in all tested tissues, and the highest level was in hepatopancreas from C. plicata. The recombinant protein pET32-CpNrf2 was purified with the content of 1.375 mg/mL. The expression levels of CpNrf2 mRNA were raised in hepatopancreas after MC stimulation. After CpNrf2 knockdown, CpNrf2 mRNA levels were significantly down-regulated after 24 h. Compared with control group, the expression levels of ARE-driven enzymes (CpMnSOD, CpCuZnSOD, CpTRX, CpPrx, CpSe-GPx and Cpsigma-GST) were significantly increased, and those enzyme activities were also significantly up-regulated in MC-stimulated group. However, in CpNrf2-iRNA group, they were significantly down-regulated. The results revealed that Nrf2/ARE pathway is very crucial to protect molluscs from MC. [ABSTRACT FROM AUTHOR]

One of the main technologies to solve NO x pollution in vehicle exhaust is selective catalytic reduction. The Cu loaded SSZ-13 zeolites catalyst material is one of the most attractive catalytic materials used in this technology. Moreover, green synthesis route of copper based SSZ-13 without or less organic template agent using in order to promote its practical industrial application is a promising and meaningful research hotpot. In this paper, low-cost Cu-SSZ-13 zeolites were successfully synthesized by seed orientation method and evaluated for its catalytic properties of NO x reduction. The crystallization conditions and crystallization mechanism were systematically investigated. The results show that the amount of seed, the ratio of Si to Al, crystallization temperature, crystallization time and seed state (calcined or unroasted) all have effect on the synthesis of molecular sieve. With 10–20% SSZ-13 seeds adding, SSZ-13 zeolites at Si/Al ratio of 17.5–25 can be successfully prepared for hydrothermal treatment at 100 °C–120 °C for 2–6 days. And the optimum conditions for the synthesis of SSZ-13 zeolites by seed orientation method are as follows: using silica sol, aluminum sulfate, sodium hydroxide and deionized water as raw materials, and mixing them with the molar ratio of SiO 2 :Al 2 O 3 :Na 2 O:H 2 O = 40:1:16:900; taking the 15% unroasted SSZ-13 as seed, high purity SSZ-13 molecular sieve can be obtained by crystallization at 100 °C for 4 days. The results of crystallization mechanism investigations show that the synthesis of zeolites by seed-guided method is in accordance with the "core-shell" growth mechanism that the Si source and Al source continue to grow on the seed substrate in the Crystallization process. The copper loaded SSZ-13 zeolites by ion exchange method showed good selective catalytic reduction performance of NO x , which is compared to the activity of Cu-SSZ-13 zeolites prepared using traditional organic template agent. Thus, the low-cost seed-assisted, organic template agent-free synthesis of Cu-SSZ-13 zeolite has very promising application prospect in future NO x purification in vehicle exhaust. Image 10988 • Green Cu-SSZ-13 seed was successfully synthesized by seed orientation method. • Cu-SSZ-13 seed shows excellent NO x removal performance and promising applications. • The optimum synthesis conditions and crystallization mechanism were investigated. • The seed-oriented synthesis of SSZ-13 follows a core-shell growth mechanism. [ABSTRACT FROM AUTHOR]