摘要：In this paper we present a strategy for tuning the crystal morphology of pharmaceutical compounds by the appropriate choice of solvent via an optimization model. A three-stage approach involving a pre-design stage, a product design stage and a post-design experimental verification stage is presented. The pre-design stage addresses the tormulation of the property constraint tor crystal morphology. This involves crystallization experiments aria development of property models and constraints for morphology. In the design stage various property requirements for the solvent along with crystal morphology are considered and the product design problem is formulated as a mixed integer nonlinear programming *** design stage provides an optimal solvent/list of candidate solvents. Similar to the pre-design stage, in the post design experimental verification stage, the morphology of the crystals （precipitated from the designed solvent） is verified through crystallization experiments followed by product characterization via scanni＇ng electron microscopy, powder X-ray diffraction imaging and Fourier transform spectra analysis.

摘要：A successful qualitative and quantitative analysis of polycyclic aromatic hydrocarbons (PAHs) in air-borne particulates in Hong Kong City has been carried out by the heuristic evolving latent projection (HELP) method recently developed in chemometrics. The resolution result showed that 47 compounds were involved in this sample. Eighteen of them were interesting PAHs and/or their derivatives. The result agreed very well with the one obtained by capillary column GGMS. The resolved UV-visible spectra match well with the standards. With the help of HELP method, accurate quantitative results were also obtained for all the overlapping peaks. The separation ability of chromatography is greatly enhanced by chemometric methods. The HELP method provides a completely new way for quick and accurate analysis of the two-dimensional data produced by hyphenated chromatographic instruments.

摘要：近红外(NIR)光驱动水分解产生氢气(H_(2))一直以来都是光催化领域备受关注的问题,但由于其动力学和热力学方面的缺陷,迄今为止仍是一项艰巨的挑战.为了突破这一限制,我们通过简便的水热法设计出了富含硫空位的无贵金属二维(2D)ZnIn_(2)S_(4)-基光催化剂,并首次使用单组分ZnIn_(2)S_(4)-基材料实现了波长大于800 nm的近红外驱动制氢性能.根据价带光谱、紫外-可见-近红外DRS光谱、稳态PL光谱、瞬态光电流响应和EPR表征,我们揭示了存在一个高效的Urbach带尾吸收用于捕获近红外光.硫空位在ZnIn_(2)S_(4)纳米片中的成功构建不仅扩展了光谱吸收范围,而且具有出色的载流子扩散特性和丰富的活性位点.因此,我们的研究结果可能会为未来开发近红外响应的ZnIn_(2)S_(4)-基光催化剂用于实现高效近红外驱动制氢提供一定的指导.

摘要：Efficient catalysts enable MgH2 with superior hydrogen storage ***,we successfully synthesized a catalyst composed of Ce and Ni (***_(5) alloy) with splendid catalytic action for boosting the hydrogen storage property of magnesium hydride (MgH_(2))The MgH2–5wt%CeNi_(5) composite’s initial hydrogen release temperature was reduced to 174℃ and approximately 6.4wt%H_(2) was released at 275℃ within 10 ***,the dehydrogenation enthalpy of MgH_(2) was slightly decreased by adding CeNi_(5).For hydrogenation,the fully dehydrogenated sample absorbed 4.8wt%H_(2) at a low temperature of 175℃.The hydrogenation apparent activation energy was decreased from(73.60±1.79) to (46.12±7.33) kJ/*** analysis revealed that Mg_(2)Ni/Mg_(2)NiH_(4) and CeH_(2.73) were formed during the process of hydrogen absorption and desorption,exerted combined“Gateway”and“Spillover”effects to reduce the operating temperature and improve the hydrogen storage kinetics of MgH_(2).Our work provides an example of merging“Gateway”and“Spillover”effects in one catalyst and may shed light on designing novel highly-effective catalysts for MgH_(2) in near future.

摘要：In pursuit of low-cost direct formic acid fuel cells,tungsten carbide(WC)supported Pd catalyst is considered as an ideal candidate for efficient decomposition of formic acid due to low Pd utilization and excellent ***,different adsorption configurations and active sites of the intermediates,involved in the HCOOH decomposition,on WC(0001)-supported Pd monolayer(Pd/WC(0001))surface investigated by using density functional *** results reveal that trans-HCOOH,HCOO,cis-COOH,trans-COOH,HCO,CO,H2 O,OH and H exhibit chemisorption on Pd/WC(0001)surface,whereas cis-HCOOH and CO2 exhibit weak interactions with Pd/WC(0001)*** addition,the minimum energy pathways of HCOOH decomposition are analyzed to generate CO and CO2 due to the fracture of C–H,H–O and C–O *** adsorbed HCOOH,HCOO,mH COO,cis-COOH and trans-COOH configurations exhibit dissociation rather than *** formation occurs through the decomposition of cis-COOH,trans-COOH and HCO,whereas the CO2 formation happens due to the decomposition of *** is found that the most favorable pathway for HCOOH decomposition on Pd/WC(0001)surface is HCOOH→HCOO→CO2,where the formation of CO2 from HCOO dehydrogenation determines the reaction ***,CO2 is the most dominant product of HCOOH decomposition on Pd/WC(0001)*** presence of WC,as monolayer Pd carrier,does not alter the catalytic behavior of Pd and significantly reduces the Pd utilization.

摘要：A resident time model is proposed to evaluate the performance of agitated extraction columns. In this model, the resident time of dispersed drops is simulated with the discrete phase modeling, where the continuous phase and the dispersed phase （drops） are described by the single-phase Navier-Stokes （turbulence） model and Lagrangian model, respectively. The interaction of dispersed phase and continuous phase is neglected for the low concentration of drop in the cases studied. The statistical parameters of drops （the average resident time and standard deviation） under different operation conditions are computed for four columns. The relation of the above statistical parameters with the performance of columns is discussed and the criterions for an optimal compartment are outlined. Our results indicate that the resident time model is useful to evaluate the performance and optimize the design of extraction columns.

摘要：Disposal of the pollutants arising from farming cattle and other livestock threatens the environment and public safety in diverse ***,we report on the synthesis of engineered biochars using cow dung as raw material,and investigating these biochars as antibacterial agents for water *** coating the biochars with N-halamine polymer and loading them with active chlorine (i.e.,Cl+),we were able to regulate them on demand by tuning the polymer coating and bleaching *** obtained N-halamine-modified biochars were found to be extremely potent against Escherichia coli and Staphylococcus *** also investigated the possibility of using these N-halamine-modified biochars for bacterial decontamination in real-world *** findings indicated that a homemade filter column packed with N-halamine-modified biochars removed pathogenic bacteria from mining sewage,dairy sewage,domestic sewage,and artificial *** proposed strategy could indicate a new way for utilizing livestock pollutants to create on-demand decontaminants.

摘要：Poly methyl methacrylate(PMMA)bone cement is used in augmenting and stabilizing fractured vertebral bodies through percutaneous vertebroplasty(PVP)and percutaneous kyphoplasty(PKP).However,applications of PMMA bone cement are limited by the high elasticity modulus of PMMA,its low biodegradability,and its limited ability to regenerate *** improve PMMA bio activity and biodegradability and to modify its elasticity modulus,we mixed PMMA bone cement with oxidized hyaluronic acid and carboxymethyl chitosan in situ cross-linking hydrogel loaded with bone morphogenetic protein-2(BMP-2)to achieve novel hybrid *** fabric ated PMMA-hydrogel hybrid cements exhibited lower setting temperatures,a lower elasticity modulus,and better biodegradability and biocompatibility than that of pure PMMA cement,while retaining acceptable setting times,mechanical strength,and inj *** addition,we detected release of BMP-2 from the PMMA-hydrogel hybrid cements,significantly enhancing in vitro osteogenesis of bone marrow mesenchymal stem cells by up-regulating the gene expression of Runx2,Coll,and *** of PMMA-hydrogel hybrid cements loaded with BMP-2 on rabbit femoral condyle bone-defect models revealed their biodegradability and enhanced bone *** study demonstrated the favorable mechanical properties,biocompatibility,and biodegradability of fabricated PMMA-hydrogel hybrid cements loaded with BMP-2,as well as their ability to improve osteogenesis,making them a promising material for use in PKP and PVP.

摘要：Efficient photogenerated carrier migration/separation plays a critical role in increasing the photocatalytic performance of g-C_(3)N_(4).Herein,sulfonic acid group-functionalized g-C_(3)N_(4)(SACN)was synthesized and then synchronously strengthened by a facile-solid-state thermal reaction of g-C_(3)N_(4)and sulfamic *** a solid strong acid,sulfamic acid can be used to achieve acid etching on the surface of g-C_(3)N_(4)with the assistance of thermal treatment,leading to an enlarged specific surface area and increased surface catalytic reaction *** importantly,our experiments and density functional theory calculations indicate that the driving force generated by the negative inductive effect of sulfonic acid groups significantly improves the charge transfer dynamics and effectively inhibits their ***,the negative inductive effect can induce charge redistribution,which reduces the conduction band potential of g-C_(3)N_(4)to enhance the reduction ability of photo-induced *** a result,the SACN-400 sample showed excellent photocatalytic performance in H2 generation with an apparent quantum efficiency of 11.03%at 420±15 nm,as well as an efficient photodegradation rate for organic pollutants.

摘要：Based on aphid wax-honeydew marble and the hydrophobic wax structure of lotus and its derived applications with superareophilic and superhydrophobic properties,edible carnauba wax and beeswax particles were mixed and utilized to mimic lotus wax and wrap liquid,thus forming liquid marbles(LMs).Through the utilization of continuous production system(CPS),wax as an interfacial surfactant,water and solid,air-phase or mixed-phase marble content was *** edible liquid marble(ELM)could encapsulate water and food *** solid marble(ESM)and edible solid hollow marbles(ESHMs)could be fabricated by applying pectin or ***,through the heating of wax powders with different melting temperatures,stable tablets and hollow capsules could be *** wax powder as interfacial surfactant could firmly bind with pectin through hydrogen bonds on *** edible LMs can therefore be applied for residue reduction,corrosion reduction,biohazard prevention and cleaning in the food *** other phase LMs could act as novel tools in the pharmaceutical and food industries with the above-mentioned water transport,preservation,sustained releasing and selective releasing abilities.