Multicenter Clinical Randomized Controlled Trial and Network Pharmacology Analysis of Zhenzhu Qingyuan Granules for the Treatment of Gastroesophageal Reflux Disease

Objective To evaluate the clinical efficacy and safety of Zhenzhu Qingyuan Granules through a clinical randomized controlled trial and to analyze the potential action targets and pathways of this formula using network pharmacology.Methods Patients with gastroesophageal reflux disease(GERD)of liver–stomach stagnant heat pattern who met the inclusion and exclusion criteria were randomly divided into the control group and the observation group.The control group received oral rabeprazole,whereas the observation group were given Zhenzhu Qingyuan Granules in addition to the rabeprazole.The treatment duration was 8 weeks.Clinical efficacy was observed in both groups after 8 weeks.Network pharmacology was used to analyze the action targets of ZhenzhuQingyuanGranules and the genes related to GERD,and core targets were inferred.Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses were conducted to explore the potential mechanisms of this formula.Results The clinical research results showed that the total effective rate in the treatment group was 92.68%,compared with 70.00%in the control group,with a statistically significant difference(p<0.05).After treatment,both Chinese medicine syndrome score and endoscopic score improved in both groups compared with before treatment(p<0.05),and the treatment group showed greater improvement than the control group(p<0.05).Network pharmacology identified effective components of Zhenzhu Qingyuan Granules for treating GERD,including quercetin,luteolin,andβ-sitosterol,with potential action targets such as tumor protein 53(TP53),protein kinase B(AKT1),and tumor necrosis factor.Conclusion Zhenzhu Qingyuan Granules can significantly improve clinical symptoms in patients with GERD of liver–stomach stagnated heat pattern,enhance clinical efficacy,and have high safety.This formula may exert therapeutic effects through multiple targets and pathways.

A 256 Gb/s electronic−photonic monolithically integrated transceiver in 45 nm CMOS

With the explosive development of artificial intelligence(AI),machine learning(ML),and high-performance comput-ing(HPC),the ever-growing data movement is asking for high density interconnects with higher bandwidth(BW),lower power and lower latency[1−3].The optical I/O leverages silicon photonic(SiPh)technology to enable high-density large-scale integrated photonics.

Optimal synthesis of compression refrigeration system using a novel MINLP approach

The optimal design of a compression refrigeration system(CRS) with multiple temperature levels is very important to chemical process industries and also represents considerable challenges in process systems engineering. In this paper, a general methodology for the optimal synthesis of the CRS, which simultaneously integrates CRS and Heat Exchanger Networks(HEN) to minimize the total compressor shaft work consumption based on an MINLP model, has been proposed. The major contribution of this method is in addressing the optimal design of refrigeration cycle with variable refrigeration temperature levels. The method can be used to make major decisions in the CRS design, such as the number of levels, temperature levels, and heat transfer duties. The performance of the developed methodology has been illustrated with a case study of an ethylene CRS in an industrial ethylene plant, and the optimal solution has been examined by rigorous simulations in Aspen Plus to verify its feasibility and consistency.

Liquid–liquid phase transition in confined liquid titanium

We report the layering and liquid–liquid phase transition of liquid titanium confined between two parallel panel walls.Abnormal changes in the volume and the potential energy confirm the existence of the liquid–liquid phase transition of the liquid titanium. The typical feature of the liquid–liquid phase transition is layering, which is induced by the slit size,pressure and temperature. We highlight the fact that the slit size and pressure will determine the number of layers. In addition, with the change in the slit size, the density of the confined liquid expresses a fluctuating law. The phase diagram of the layering transition is drawn to clearly understand the layering. This study provides insights into the liquid–liquid phase transition of liquid metal in a confined space.

自润滑聚合物材料研究进展

润滑失效是导致摩擦运动零部件性能退化的主要原因,自润滑聚合物材料为解决这一问题提供了有效途径。文中综述了自润滑聚合物材料研究进展,对固体纳米粒子填充型自润滑材料、多孔自润滑聚合物材料、微胶囊型自润滑材料3种自润滑聚合物复合材料进行了介绍,重点对微胶囊型自润滑聚合物材料近年来的研究进展进行分析和总结。从自润滑机理、自润滑微胶囊化方法、芯材润滑剂及壁材的种类、自润滑聚合物材料的摩擦磨损性能、减摩耐磨机理等方面进行详细阐述,最后对自润滑聚合物材料的前景进行了展望。

超薄氮掺杂碳纳米片负载单原子镍用于高效电催化还原二氧化碳

将二氧化碳转化为高附加值的燃料和化学品是缓解当前能源危机和控制温室气体排放的有效策略之一,但此法受限于缺乏高活性与高选择性的电催化剂。因此,我们通过热解含镍金属有机框架结构(MOF)和二氰二胺制得负载高含量镍单原子(7.77%(w))的超薄氮掺杂二维碳纳米片用于电催化还原CO_(2)生成CO。研究发现高温热解能将MOF中Ni^(2+)转化为Ni^(+)-N-C和Ni^(2+)-N-C结构,且Ni^(+)-N-C含量依赖于热解温度——其含量随热解温度增加呈现火山型变化。800℃下,Ni^(2+)到Ni^(+)-N-C的转化和石墨化的C生成达到最优水平。Ni^(+)-N-C结构有适宜的^(*)CO中间体结合能,能有效地抑制析氢反应的同时还能促进CO生成。因此,800℃热处理制得的材料(Ni-N-C-800)催化CO_(2)生成CO效率最高。调节电解液浓度,能进一步优化电催化性能。当电解液(碳酸氢钾)浓度为0.5 mol·L^(−1)时,Ni-N-C-800的CO生成选择性在较宽电压窗口内(−0.77到^(−1).07 V vs.RHE)都高于90%,且具有优良的稳定性。这些结果表明,选择合适的前躯体通过调控热解温度以及氮掺杂可以有效提高镍基MOF衍生催化剂的二氧化碳电催化性能。

功能化石墨烯材料:定义、分类及制备策略

自2004年被成功制备后,石墨烯因其独特迷人的性质在近十几年来备受关注,同时也引发了二维纳米材料的研究热潮。单原子层厚度的二维结构赋予石墨烯非同寻常的光学、电子学、磁学及力学等性质,使得石墨烯在生物学、医学、化学、物理学和环境科学等多个领域展现出极大的应用潜力。制得注意的是,石墨烯在应用时通常需要进行功能化,调节其组成、大小、形状和结构等,以便于加工处理或满足不同的应用需求。石墨烯功能化方法多样,功能化产物也是种类繁多。然而,到目前为止,石墨烯功能化产物并没有系统全面的分类和精确的定义。因此,本文在系统总结现有石墨烯功能化研究的基础上,给出了石墨烯功能化产物的系统分类、各类的精确定义和相应的制备策略,并通过典型示例进行了详细地阐述。石墨烯功能化的产物统称为"功能化石墨烯材料",分为两类:"功能化石墨烯"和"功能化石墨烯复合材料"。功能化石墨烯材料的制备可由"自上而下"和"自下而上"两种策略实现。制备策略的选择取决于应用需求。系统分类、精确命名和制备策略的归纳必将有助于功能化石墨烯材料的进一步发展。

Synthesis of refrigeration system based on generalized disjunctive programming model

Refrigeration system holds an important role in process industries. The optimal synthesis cannot only reduce the energy consumption, but also save the production costs. In this study, a general methodology is developed for the optimal design of refrigeration cycle and heat exchanger network(HEN) simultaneously. Taking the heat integration between the external heat sources/sinks and the refrigeration cycle into consideration, a superstructure with sub-coolers is developed. Through defining logical variables that indicate the relative temperature positions of refrigerant streams after sub-coolers, the synthesis is formulated as a Generalized Disjunctive Programming(GDP) problem based on LP transshipment model, with the target of minimizing the total compressor shaft work in the refrigeration system. The GDP model is then reformulated as a Mixed Integer Nonlinear Programming(MINLP) problem with the aid of binary variables and Big-M Constraint Method. The efficacy of the process synthesis model is demonstrated by a case study of ethylene refrigeration system. The result shows that the optimization can significantly reduce the exergy loss as well as the total compression shaft work.

Self-assembly process of organic small molecular gel and its molecular mechanism

Gel is a very diverse system that has pervaded our everyday life in a variety of forms. However, the mechanism of gel formation remains ambiguous. To better understand the mechanism of gel formation, cefpiramide was selected as model compound to investigate gel formation from molecular level, with the help of experimental research and molecular dynamics simulations. Dynamic light scattering was used to detect the process of the formation of fiber aggregates by the molecules in the gel process. The results indicated that in the process of low molecular weight gels, the molecules coalesce to form a fibrous network structure to wrap the liquid. Attenuated Total Reflectance Fourier Transform Infrared spectrometer and Raman spectroscopy were employed to explore the solute–solute and solute–solvent interactions, which indicated that the solvent molecules (formamide molecules) played a key role in the process of gel formation and the solute–solute interactions played a leading role. Finally, molecular dynamics simulations were employed to reveal the molecular mechanism of gel formation from molecular level.

An orientated mass transfer in Ni-Cu tandem nanofibers for highly selective reduction of CO_(2) to ethanol

Electrochemically reducing CO_(2)to ethanol is attractive but suffers from poor selectivity.Tandem catalysis that integrates the activation of CO_(2)to an intermediate using one active site and the subsequent formation of hydrocarbons on the other site offers a promising approach,where the control of the intermediate transfer between different catalytic sites is challenging.We propose an internally self-feeding mechanism that relies on the orientation of the mass transfer in a hierarchical structure and demonstrate it using a one-dimensional(1D)tandem core-shell catalyst.Specifically,the carbon-coated Ni-core(Ni/C)catalyzes the transformation of CO_(2)-to-CO,after which the CO intermediates are guided to diffuse to the carbon-coated Cu-shell(Cu/C)and experience the selective reduction to ethanol,realizing the orientated key intermediate transfer.Results show that the Faradaic efficiency for ethanol was 18.2%at-1 V vs.RHE(V_(RHE))for up to 100 h.The following mechanism study supports the hypothesis that the CO_(2)reduction on Ni/C generates CO,which is further reduced to ethanol on Cu/C sites.Density functional theory calculations suggest a combined effect of the availability of CO intermediate in Ni/C core and the dimerization of key∗CO intermediates,as well as the subsequent proton-electron transfer process on the Cu/C shell.

Fatigue crack tip plastic zone ofα+βtitanium alloy with Widmanstatten microstructure

The recent studies had focused on the fatigue crack propagation behaviors of α＋β titanium alloys with Widmanstatten microstructure. The fascinated interest of this type of microstructure is due to the superior fatigue crack propagation resistance and fracture toughness as compared to other microstructures,which was believed to be related to the fatigue crack tip plastic zone（CTPZ）. In this study, the plastic deformation in fatigue CTPZ of Ti-6 A1-4 V titanium alloy with Widmanstatten microstructure was characterized by scanning electron microscope（SEM） and electron backscatter diffraction（EBSD）. The results showed that large-scale slipping and deformation twinning were generated in fatigue CTPZ due to the crystallographic feature of the Widmanstatten microstructure. The activation of twinning was related to the rank of Schmid factor（SF） and the diversity of twin variants developing behaviors reflected the influence of SF rank. The sizes of CTPZ under different stress intensity factors（K） were examined by the white-light coherence method, and the results revealed that the range of the plastic zone is enlarged with the increasing K（or crack length）, while the plastic strain decreased rapidly with the increasing distance from the crack surface. The large-scale slipping and deformation twinning in Widmannstatten microstructure remarkably expanded the range of fatigue CTPZ, which would lead to the obvious larger size of the observed CTPZ than that of the theoretically calculated size.

Atomic cobalt anchored on covalent triazine frameworks with ultra-high performance towards oxygen reduction reaction

Single cobalt atom is promising non-precious metal catalyst instead of Pt in the oxygen reduction reaction(ORR).However,it is still a great challenge to develop a costeffective,ultrastable and efficent single-atom cobalt catalyst for ORR,requiring efficient fabrication strategies and robust support to stabilize the single cobalt atom.Here,we prepared a highly active and stable atomically isolated cobalt catalyst via covalent triazine framework(CTF)support with Ketjen Black(KB)hybridization in scale.The prepared single Co catalyst(Co-CTF/KB)possesses high metal loading over 4 wt%and shows superior ORR performance with a half-wave potential(E1/2)of 0.830 V and a limiting current density of 6.14 mA cm-2 as well as high tolerance of methanol in an alkaline medium,which outperforms commercial Pt/C and most non-precious-metal catalysts reported to date.Benefiting from strong stabilization of Co atoms on CTF,Co-CTF/KB shows outstanding stability with only 5 mV negative shifts after 10,000 cycles.Moreover,it also displays high catalytic activity for oxygen evolution reaction(OER),suggesting it is an efficient ORR/OER bifunctional catalyst.The present work provides a facile strategy for preparing single-atom catalysts in bulk quantity and contributes to development of catalysts for electrochemical conversion and storage devices.

Cascading V_(2)O_(3)/N-doped carbon hybrid nanosheets as high-performance cathode materials for aqueous zinc-ion batteries

In recent years, especially when there is increasing concern about the safety issue of lithium-ion batteries (LIBs), aqueous Zn-ion batteries (ZIBs) have been getting a lot of attention because of their cost-effectiveness, materials abundance, high safety, and ecological friendliness. Their working voltage and specific capacity are mainly determined by their cathode materials. Vanadium oxides are promising cathode materials for aqueous ZIBs owing to their low cost, abundant resources, and multivalence. However, vanadium oxide cathodes still suffer from unsatisfactory capacity, poor stability, and low electrical conductivity. In this work, cascading V_(2)O_(3)/nitrogen doped carbon (V_(2)O_(3)/NC) hybrid nanosheets are prepared for high-performance aqueous ZIBs by pyrolyzing pentyl viologen dibromide (PV) intercalated V_(2)O5 nanosheets. The unique structure features of V_(2)O_(3)/NC nanosheets, including thin sheet-like morphology, small crystalline V_(2)O_(3) nanoparticles, and conductive NC layers, endow V_(2)O_(3)/NC with superior performance compared to most of the reported vanadium oxide cathode materials for aqueous ZIBs. The V_(2)O_(3)/NC cathode exhibits the discharge capacity of 405 mAh/g at 0.5 A/g, excellent rate capability (159 mAh/g at 20 A/g), and outstanding cycling stability with 90% capacity retention over 4000 cycles at 20 A/g.

Optimal design of extractive dividing-wall column using an efficient equation-oriented approach

The extractive dividing-wall column(EDWC)is one of the most efficient technologies for separation of azeotropic or close boiling-point mixtures,but its design is fairly challenging.In this paper we extend the hybrid feasible path optimisation algorithm(Ma Y,McLaughlan M,Zhang N,Li J.Computers&Chemical Engineering,2020,143:107058)for such optimal design.The tolerances-relaxation integration method is refined to allow for long enough integration time that can ensure the solution of the pseudo-transient continuation simulation close to the steady state before the required tolerance is used.To ensure the gradient and Jacobian information available for optimisation,we allow a relaxed tolerance for the simulation in the sensitivity analysis mode when the simulation diverges under small tolerance.In addition,valid lower bounds on purity of the recycled entrainer and the vapour flow rate in column sections are imposed to improve computational efficiency.The computational results demonstrate that the extended hybrid algorithm can achieve better design of the EDWC compared to those in literature.The energy consumption can be reduced by more than 20%compared with existing literature report.In addition,the optimal design of the heat pump assisted EDWC is achieved using the improved hybrid algorithm for the first time.

Formation mechanism of α lamellae during β→α transformation in polycrystalline dual-phase Ti alloys

Phase field simulations incorporating contributions from chemical free energy and anisotropic interfacial energy are presented for theβ→αtransformation in Ti-6 Al-4 V alloy to investigate the growth mechanism ofαlamellae of various morphologies from undercooledβmatrix.Theαcolony close to realistic microstructure was generated by coupling the Thermo-Calc thermodynamic parameters ofαandβphases with the phase field governing equations.The simulations show thatαlamellar side branches with feathery morphology can form under a certain combination of interfacial energy anisotropy and temperature.αlamellae tend to grow slowly at high heat treatment temperature and become wider and thicker as temperature increase from 800 to 900℃provided that the interfacial energy anisotropy ratio k_(x):k_(y) was set as 0.1:0.6.Besides,higher interfacial energy anisotropy can accelerate the formation ofαlamellae,and the equilibrium shape ofαlamellae changes from rod to plate as the interface energy anisotropy ratio k_(x):k_(y) vary from 0.1:0.4 to 0.1:0.8 under 820℃.Experiments were conducted to study theαlamellar side branches in Ti-6 Al-4 V(Ti-6.01 Al-3.98 V,wt.%)and Ti-4211(Ti-4.02 A1-2.52 V-1.54 Mo-1.03 Fe,wt.%)alloys with lamellar micro structure.Electron backscatter diffraction(EBSD)re sults show thatαlamellar side branches and their related lamellae share the same orientation.The predicted temperature range forαlamellar side branches fo rmation under various interfacial energy anisotropy is consistent with experimental results.

Rational design of viologen redox additives for high-performance supercapacitors with organic electrolytes

Introducing redox species into the electrolytes of traditional electric double layer capacitors(EDLCs)is an efficient strategy to enhance their energy density owing to Faradic reactions.However,few studies have elucidated the effect of the molecular structures of organic redox species on the performance of relative supercapacitors,which is important in the development of redox additives for super-capacitors.In this context,we synthesized several viologens and used them as new organic redox additives for super-capacitors with organic electrolytes.The detailed experimental analysis and theoretical calculation results show that the electrochemical performance of viologens relies heavily on their side chains and conjugated cores.Specifically,the side chains of the viologens affect their electronic structures and are consistent with behaviours between the molecules and the electrode pores due to the size effect,thus influencing their specific capacities.In addition,a larger conjugated aromatic core endows viologens with a smaller band gap and a higher degree of electron delocalization,resulting in better rate performance and cycling stability.Consequently,aπ-conjugated viologen derivative is selected as a favourable additive and enables an EDLC-type supercapacitor to exhibit a high energy density(34.0 W h kg^−1 at 856 W kg^−1)and good cycling performance.

Surface and optical properties of silicon nitride deposited by inductively coupled plasma-chemical vapor deposition

The surface and optical properties of silicon nitride samples with different compositions were investigated. The samples were deposited on In P by inductively coupled plasma chemical vapor deposition using different NH3flow rates. Atomic force microscopy measurements show that the surface roughness is increased for the samples with both low and high NH3flow rates. By optimization, when the NH3flow rate is 6 sccm, a smooth surface with RMS roughness of 0.74 nm over a 5 × 5 μm2area has been achieved. X-ray photoelectron spectroscopy measurements reveal the Si/N ratio of the samples as a function of NH3flow rate. It is found that amorphous silicon is dominant in the samples with low NH3flow rates, which is also proved in Raman measurements. The bonding energies of the Si and N atoms have been extracted and analyzed. Results show that the bonding states of Si atoms transfer from Si0to Si+4as the NH3flow rate increases.

Formal Co(0),Fe(0),and Mn(0)complexes with NHC and styrene ligation

The limited knowledge on low-coordinate zero-valent transition-metal species has intrigued great synthetic efforts in developing ligand sets for their stabilization.While the combined ligand set of Nheterocyclic carbene(NHC)with vinylsilanes was the only known ligand system amenable to the stabilization of three-coordinate formal zero-valent cobalt,iron,and manganese complexes,the exploration on other ligands has proved that the ligand set of NHCs with styrene is equally effective in stabilizing three-coo rdinate formal zero-valent metal complexes in the form of(NHC)M(η2-CH2CHPh)2(NHC=IPr,IMes;M=Co,Fe,Mn).These styrene complexes can be prepared by the one-pot reactions of MCl2 with styrene,NHC and KC8,and have been characterized by various spectroscopic methods.Preliminary reactivity study indicated that the interaction of[(IMes)Fe(η2-CH2 CHPh)2]with DippN3 produces the iron(IV)bisimido complex[(IMes)Fe(NDipp)2]and styrene,which hints at the utility of these zero-valent metal styene complexes as synthons of the mono-coordinate species(NHC)M(O).

Temperature-gradient induced microstructure evolution in heat-affected zone of electron beam welded Ti-6Al-4V titanium alloy

The heat-affected zone(HAZ) of electron beam welded(EBW) joint normally undergoes a unique heat-treating process consisting of rapid temperature rising and dropping stages, resulting in temperature-gradient in HAZ as a function of the distance to fusion zone(FZ). In the current work,microstructure, elements distribution and crystallographic orientation of three parts(near base material(BM) zone, mid-HAZ and near-FZ) in the HAZ of Ti-6Al-4V alloy were systematically investigated. The microstructure observation revealed that the microstructural variation from near-BM to near-FZ included the reduction of primary α(αp) grains, the increase of transformed β structure(βt) and the formation of various α structures. The rim-α, dendritic α and abnormal secondary α(αs) colonies formed in the mid-HAZ, while the "ghost" structures grew in the near-FZ respectively. The electron probe microanalyzer(EPMA) and electron back-scattered diffraction(EBSD) technologies were employed to evaluate the elements diffusion and texture evolution during the unique thermal process of welding. The formation of the various α structures in the HAZ were discussed based on the EPMA and EBSD results. Finally, the nanoindentation hardness of "ghost" structures was presented and compared with nearby βt regions.

大叶铁线莲大小孢子发生及雌雄配子体发育

铁线莲属植物在花部形态和结构方面存在较大差异,遗传背景相对复杂。因此,在杂交育种前对其进行胚胎学研究具有重要意义。利用石蜡切片技术对大叶铁线莲(Clematis heracleifolia)大小孢子发生及雌雄配子体发育过程进行研究,结果显示,大叶铁线莲具雄株和两性花植株。雄花中,雄配子体发育偶见败育现象;而两性花中多数花粉发育异常,形成功能性雌花。正常发育的两性花中,雄蕊较雌蕊先发育完全。花药4室,具腺质绒毡层,偶见变形绒毡层。胞质分裂为同时型,以四面体型四分体为主,偶见左右对称型。成熟花药中,花药壁由纤维状加厚的表皮及药室内壁构成,花粉粒为2-细胞型,近球状,散沟型。子房1室,内含少量退化胚珠及1个发育正常的胚珠,倒生,单珠被,薄珠心,蓼型胚囊,具线形大孢子四分体及双核反足细胞。大叶铁线莲可能处于相对进化的过渡地位。在杂交育种中,建议以雄花植株作为父本,两性花植株仅用作母本;在两性花花芽大小为0.5–0.8 cm时进行去雄处理。