Mechanical properties of jammed packings of frictionless spheres under an applied shear stress

By minimizing a thermodynamic-like potential, we unbiasedly sample the potential energy landscape of soft and frictionless spheres under a constant shear stress. We obtain zero-temperature jammed states under desired shear stresses and investigate their mechanical properties as a function of the shear stress. As a comparison, we also obtain the jammed states from the quasistatic-shear sampling in which the shear stress is not well-controlled. Although the yield stresses determined by both samplings show the same power-law scaling with the compression from the jamming transition point J at zero temperature and shear stress, for finite size systems the quasistatic-shear sampling leads to a lower yield stress and a higher critical volume fraction at point J. The shear modulus of the jammed solids decreases with increasing shear stress. However, the shear modulus does not decay to zero at yielding. This discontinuous change of the shear modulus implies the discontinuous nature of the unjamming transition under nonzero shear stress, which is further verified by the observation of a discontinuous jump in the pressure from the jammed solids to the shear flows. The pressure jump decreases upon decompression and approaches zero at the critical-like point J, in analogy with the well-known phase transitions under an external field. The analysis of the force networks in the jammed solids reveals that the force distribution is more sensitive to the increase of the shear stress near point J. The force network anisotropy increases with increasing shear stress. The weak particle contacts near the average force and under large shear stresses it exhibit an asymmetric angle distribution.     

Particles as surfactants—similarities and differences

Colloidal particles act in many ways like surfactant molecules, particularly if adsorbed to a fluid–fluid interface. Just as the water or oil-liking tendency of a surfactant is quantified in terms of the hydrophile–lipophile balance (HLB) number, so can that of a spherical particle be described in terms of its wettability via contact angle. Important differences exist, however, between the two types of surface-active material, due in part to the fact that particles are strongly held at interfaces. This review attempts to correlate the behaviour observed in systems containing either particles or surfactant molecules in the areas of adsorption to interfaces, partitioning between phases and solid-stabilised emulsions and foams.     

Exact static solutions to piezoelectric smart beams including peel stresses. II. Numerical results,comparison and discussion

This part presents the numerical results, comparisons and discussion for the exact static solutions of smart beams with piezoelectric (PZT) actuators and sensors including peel stresses presented in Part I. (International Journal of Solids and Structures, 39, 4677–4695) The actuated stress distributions in the adhesive and the adhesive edge stresses varying with the thickness ratios are firstly obtained and presented. The actuated internal stress resultants and displacements in the host beam are then calculated and compared with those predicted by using the shear lag model. The stresses in the adhesive caused by an applied axial force, bending moment and shear force are calculated, and then used to compute the sensing electric charges for comparison with those predicted using the shear lag model. The numerical results are given for the smart beam with (a) one bonded PZT and (b) two symmetrically bonded PZTs, with a comparison to those predicted using the shear lag model. Novel, simple and more accurate formulas for the equivalent force and bending moment induced by applied electric field are also derived for the host beam with one PZT or two symmetrically bonded PZTs. The symmetric shear stress and the anti-symmetric peel stress components caused by a shear force are discussed. In addition, in the case of PZT edge debonding, the stress redistribution in the adhesive and the self-arresting mechanism are also investigated.     

Active thermophoresis and diffusiophoresis

Thermophoresis and diffusiophoresis respectively refer to the directed drift of suspended particles in solutions with external thermal and chemical gradients, which have been widely used in the manipulation of mesoscopic particles. We here study a phoretic-like motion of a passive colloidal particle immersed in inhomogeneous active baths, where the thermal and chemical gradients are replaced separately by activity and concentration gradients of the active particles. By performing simulations, we show that the passive colloidal particle experiences phoretic-like forces that originate from its interactions with the inhomogeneous active fluid, and thus drifts along the gradient field, leading to an accumulation. The results are similar to the traditional phoretic effects occurring in passive colloidal suspensions, implying that the concepts of thermophoresis and diffusiophoresis could be generalized into active baths.     

Model for processive movement of myosin V and myosin VI

Myosin V and myosin VI are two classes of two-headed molecular motors of the myosin superfamily that move processively along helical actin filaments in opposite directions. Here we present a hand-over-hand model for their processive movements. In the model, the moving direction of a dimeric molecular motor is automatically determined by the relative orientation between its two heads at free state and its head‘s binding orientation on track filament.This determines that myosin V moves toward the barbed end and myosin VI moves toward the pointed end of actin.During the moving period in one step, one head remains bound to actin for myosin V whereas two heads are detached for myosin VI: the moving manner is determined by the length of neck domain. This naturally explains the similar dynamic behaviours but opposite moving directions of myosin VI and mutant myosin V (the neck of which is truncated to only one-sixth of the native length). Because of different moving manners, myosin VI and mutant myosin V exhibit significantly broader step-size distribution than native myosin V. However, all the three motors give the same mean step size of -36nm (the pseudo-repeat of actin helix). All these theoretical results are in agreement with previous experimental ones.     

Protein adsorption studied by neutron reflection

This article reviews recent development in the use of neutron reflection to study protein adsorption. The phenomenon of protein adsorption will be introduced, followed by the outline of the technological relevance of the interfacial molecular events. As lysozyme and albumins are widely used in recent adsorption studies, these model systems will be taken to demonstrate how interfacial structural details are affected by different surface chemical nature. The prospect of neutron reflection in revealing interfacial structural conformations of biologically more relevant proteins is highlighted.     

DNA与组蛋白相互作用的布朗动力学研究

在真核生物中,DNA按左手手征性的方式,缠绕在组蛋白八聚体的周围,形成稳定的核小体结构.文章作者运用布朗动力学,数值模拟了DNA与组蛋白相互作用最终形成核小体的动力学过程,揭示了DNA与组蛋白相互作用的详细图景,并提出了组蛋白八聚体旋转模型,以解释这一过程.文章作者还计算了组成核小体的DNA在受到拉伸力时,组蛋白被从核小体中剥离下来的动力学过程,得到了组装和剥离过程的详细图像,给出了与前人单分子实验一致的拉伸力与拉伸长度的关系曲线和拉伸台阶.此外,还通过建立的组蛋白手征性模型,模拟了核小体手征性的形成过程,发现DNA的缠绕方向强烈依赖于组蛋白的手征性,显示出环境温度对核小体手征性有重要影响.     

Nanosecond-time-resolved infrared spectroscopic study of fast relaxation kinetics of protein folding by means of laser-induced temperature-jump

Elucidating the initial kinetics of folding pathways is critical to the understanding of the protein folding mechanism. Transient infrared spectroscopy has proved a powerful tool to probe the folding kinetics. Herein we report the construction of a nanosecond laser-induced temperature-jump （T-jump） technique coupled to a nanosecond timeresolved transient mid-infrared （mid-IR） spectrometer system capable of investigating the protein folding kinetics with a temporal resolution of 50 ns after deconvolution of the instrumental response function. The mid-IR source is a liquid N2 cooled CO laser covering a spectral range of 5.0μm （2000 cm^-1）-6.5μm （1540 cm^-1）. The heating pulse was generated by a high pressure H2 Raman shifter at wavelength of 1.9μm. The maximum temperature-jump could reach as high as 26±1℃. The fast folding/unfolding dynamics of cytochrome C was investigated by the constructed system, providing an example.     

Selective Hydrogenation of CO2 to Ethanol over Cobalt Catalysts

Methods for the hydrogenation of CO₂ into valuable chemicals are in great demand but their development is still challenging. Herein, we report the selective hydrogenation of CO₂ into ethanol over non‐noble cobalt catalysts (CoAlO_x), presenting a significant advance for the conversion of CO₂ into ethanol as the major product. By adjusting the composition of the catalysts through the use of different prereduction temperatures, the efficiency of CO₂ to ethanol hydrogenation was optimized; the catalyst reduced at 600 ° gave an ethanol selectivity of 92.1 % at 140 °C with an ethanol time yield of 0.444 mmol g^?1 h^?1. Operando FT‐IR spectroscopy revealed that the high ethanol selectivity over the CoAlO_x catalyst might be due to the formation of acetate from formate by insertion of *CH_x, a key intermediate in the production of ethanol by CO₂ hydrogenation.     

Ambient Electrosynthesis of Ammonia: Electrode Porosity and Composition Engineering

Ammonia, a key precursor for fertilizer production, convenient hydrogen carrier, and emerging clean fuel, plays a pivotal role in sustaining life on Earth. Currently, the main route for NH₃ synthesis is by the heterogeneous catalytic Haber–Bosch process (N₂+3 H₂→2 NH₃), which proceeds under extreme conditions of temperature and pressure with a very large carbon footprint. Herein we report that a pristine nitrogen‐doped nanoporous graphitic carbon membrane (NCM) can electrochemically convert N₂ into NH₃ in an acidic aqueous solution under ambient conditions. The Faradaic efficiency and rate of production of NH₃ on the NCM electrode reach 5.2 % and 0.08 g m^?2 h^?1, respectively. Functionalization of the NCM with Au nanoparticles dramatically enhances these performance metrics to 22 % and 0.36 g m^?2 h^?1, respectively. As this system offers the potential to be scaled to industrial levels it is highly likely that it might displace the century‐old Haber–Bosch process.