The Stability of a Vertical Single-Walled Carbon Nanotube Under Its Own Weight

It has been reported recently that single carbon nanotubes were attached to AFM tips to act as nanotweezers. In order to investigate its stability, a vertical single-walled carbon nanotube (SWCNT) under its own weight is studied in this paper. The lower end of the carbon nanotube is clamped. Firstly the governing dimensionless numbers are derived by dimensional analysis. Then the theoretical analysis based on an elastic column model is carried out. Two ratios, I.e., the ratio of half wall thickness to radius (t=R) and the ratio of gravity to elastic resilience ($\rho$gR=E), and their influences on the ratio of critical length to radius are discussed. It is found that the relationship between the critical ratio of altitude to radius and ratio of half thickness to radius is approximately linear. As the dimensionless number $\rho$gR=E increases, the compressive force per unit length (weight) becomes larger, thus critical ratio of altitude to radius must become smaller to maintain stability. At last the critical length of SWCNT is calculated. The results of this paper will be helpful for the stability design of nanotweezers-like nanostructures.

Energy Principle And Nonlinear Electric-Mechanical Behavior Of Ferroelectric Ceramics

Many experimental observations have shown that a single domain in a ferroelectric material switches by progressive movement of domain walls, driven by a combination of electric field and stress. The mechanism of the domain switch involves the following steps: initially, the domain has a uniform spontaneous polarization; new domains with the reverse polarization direction nucleate, mainly at the surface, and grow though the crystal thickness; the new domain expands sideways as a new domain continues to form; finally, the domain switch coalesces to complete the polarization reversal. According to this mechanism, the volume fraction of the domain switching is introduced in the constitutive law of the ferroelectric material and used to study the nonlinear constitutive behavior of a ferroelectric body in this paper. The principle of stationary total potential energy is put forward in which the basic unknown quantities are the displacement u(i), electric displacement D-i and volume fraction rho(I) of the domain switching for the variant I. The mechanical field equation and a new domain switching criterion are obtained from the principle of stationary total potential energy. The domain switching criterion proposed in this paper is an expansion and development of the energy criterion established by Hwang et al. [ 1]. Based on the domain switching criterion, a set of linear algebraic equations for determining the volume fraction rho(I) of domain switching is obtained, in which the coefficients of the linear algebraic equations only contain the unknown strain and electric fields. If the volume fraction rho(I) of domain switching for each domain is prescribed, the unknown displacement and electric potential can be obtained based on the conventional finite element procedure. It is assumed that a domain switches if the reduction in potential energy exceeds a critical energy barrier. According to the experimental results, the energy barrier will strengthen when the volume fraction of the domain switching increases. The external mechanical and electric loads are increased step by step. The volume fraction rho(I) of domain switching for each element obtained from the last loading step is used as input to the constitutive equations. Then the strain and electric fields are calculated based on the conventional finite element procedure. The finite element analysis is carried out on the specimens subjected to uniaxial coupling stress and electric field. Numerical results and available experimental data are compared and discussed. The present theoretic prediction agrees reasonably with the experimental results.

Validity ranges of interfacial wave theories in a two-layer fluid system

In the present paper, we endeavor to accomplish a diagram, which demarcates the validity ranges for interfacial wave theories in a two-layer system, to meet the needs of design in ocean engineering. On the basis of the available solutions of periodic and solitary waves, we propose a guideline as principle to identify the validity regions of the interfacial wave theories in terms of wave period T, wave height H, upper layer thickness d(1), and lower layer thickness d(2), instead of only one parameter-water depth d as in the water surface wave circumstance. The diagram proposed here happens to be Le Mehautes plot for free surface waves if water depth ratio r = d(1)/d(2) approaches to infinity and the upper layer water density rho(1) to zero. On the contrary, the diagram for water surface waves can be used for two-layer interfacial waves if gravity acceleration g in it is replaced by the reduced gravity defined in this study under the condition of sigma = (rho(2) - rho(1))/rho(2) -> 1.0 and r > 1.0. In the end, several figures of the validity ranges for various interfacial wave theories in the two-layer fluid are given and compared with the results for surface waves.

Energy principle of ferroelectric ceramics and single domain mechanical model

Many physical experiments have shown that the domain switching in a ferroelectric material is a complicated evolution process of the domain wall with the variation of stress and electric field. According to this mechanism, the volume fraction of the domain switching is introduced in the constitutive law of ferroelectric ceramic and used to study the nonlinear constitutive behavior of ferroelectric body in this paper. The principle of stationary total energy is put forward in which the basic unknown quantities are the displacement u (i) , electric displacement D (i) and volume fraction rho (I) of the domain switching for the variant I. Mechanical field equation and a new domain switching criterion are obtained from the principle of stationary total energy. The domain switching criterion proposed in this paper is an expansion and development of the energy criterion. On the basis of the domain switching criterion, a set of linear algebraic equations for the volume fraction rho (I) of domain switching is obtained, in which the coefficients of the linear algebraic equations only contain the unknown strain and electric fields. Then a single domain mechanical model is proposed in this paper. The poled ferroelectric specimen is considered as a transversely isotropic single domain. By using the partial experimental results, the hardening relation between the driving force of domain switching and the volume fraction of domain switching can be calibrated. Then the electromechanical response can be calculated on the basis of the calibrated hardening relation. The results involve the electric butterfly shaped curves of axial strain versus axial electric field, the hysteresis loops of electric displacement versus electric filed and the evolution process of the domain switching in the ferroelectric specimens under uniaxial coupled stress and electric field loading. The present theoretic prediction agrees reasonably with the experimental results given by Lynch.

Growth of zero-mean-shear turbulent-mixed layer with suspended particles in a 2-layer fluid system

The growth behaviour of zero-mean-shear turbulent-mixed layer containing suspended solid particles has been studied experimentally and analysed theoretically in a two-layer fluid system. The potential model for estimating the turbulent entrainment rate of the mixed layer has also been suggested, including the results of the turbulent entrainment for pure two-layer fluid. The experimental results show that the entrainment behaviour of a mixed layer with the suspended particles is well described by the model. The relationship between the entrainment distance and the time, and the variation of the dimensionless entrainment rate E with the local Richardson number Ri1 for the suspended particles differ from that for the pure two-layer fluid by the factors-eta-1/5 and eta-1, respectively, where eta = 1 + sigma-0-DELTA-rho/DELTA-rho-0.

Los factores de sensibilidad de las opciones financieras (desarrollo teórico)

El objeto del presente artículo consiste en proporcionar a los interesados en el mundo de las opciones financieras la posibilidad de entender, de forma sistematizada, tanto la lógica implícita como el desarrollo matemático de la expresión que muestra el valor de los factores de sensibilidad generalmente utilizados en el análisis e inversión con opciones: deltha, gamma, theta, vega y rho. Consideramos de gran interés este trabajo por la posibilidad que brinda a los investigadores, docentes y gestores de disponer en un único documento de la construcción teórico-matemática de todos los factores de sensibilidad.

1-42 beta-Amyloid peptide requires PDK1/nPKC/Rac 1 pathway to induce neuronal death

1-42 beta-Amyloid (A beta(1-42)) peptide is a key molecule involved in the development of Alzheimer's disease. Some of its effects are manifested at the neuronal morphological level. These morphological changes involve loss of neurites due to cytoskeleton alterations. However, the mechanism of A beta(1-42) peptide activation of the neurodegenerative program is still poorly understood. Here, A beta(1-42) peptide-induced transduction of cellular death signals through the phosphatidylinositol 3-kinase (PI3K)/phosphoinositol- dependent kinase (PDK)/novel protein kinase C (nPKC)/Rac 1 axis is described. Furthermore, pharmacological inhibition of PDK1 and nPKC activities blocks Rac 1 activation and neuronal cell death. Our results provide insights into an unsuspected connection between PDK1, nPKCs and Rac 1 in the same signal-transduction pathway and points out nPKCs and Rac 1 as potential therapeutic targets to block the toxic effects of A beta(1-42) peptide in neurons.

Impact of depressive symptoms on subjective well-being: the importance of patient-reported outcomes in schizophrenia

Objective: The subjective experience of psychotic patients toward treatment is a key factor in medication adherence, quality of life, and clinical outcome. The aim of this study was to assess the subjective well-being in patients with schizophrenia and to examine its relationship with the presence and severity of depressive symptoms. Methods: A multicenter, cross-sectional study was conducted with clinically stable outpatients diagnosed with schizophrenia. The Subjective Well-Being under Neuroleptic Scale - short version (SWN-K) and the Calgary Depression Scale for Schizophrenia (CDSS) were used to gather information on well-being and the presence and severity of depressive symptoms, respectively. Spearman's rank correlation was used to assess the associations between the SWN-K total score, its five subscales, and the CDSS total score. Discriminative validity was evaluated against that criterion by analysing the area under the curve (AUC). Results: Ninety-seven patients were included in the study. Mean age was 35 years (standard deviation = 10) and 72% were male. Both the total SWN-K scale and its five subscales correlated inversely and significantly with the CDSS total score (P < 0.0001). The highest correlation was observed for the total SWN-K (Spearman's rank order correlation [ rho] = -0.59), being the other correlations: mental functioning (-0.47), social integration (-0.46), emotional regulation (-0.51), physical functioning (-0.48), and self-control (-0.41). A total of 33 patients (34%) were classified as depressed. Total SWN-K showed the highest AUC when discriminating between depressive severity levels (0.84), followed by emotional regulation (0.80), social integration (0.78), physical functioning and self-control (0.77), and mental functioning (0.73). Total SWN-K and its five subscales showed a significant linear trend against CDSS severity levels (P < 0.001). Conclusion: The presence of moderate to severe depressive symptoms was relatively high, and correlated inversely with patients' subjective well-being. Routine assessment of patient-reported measures in patients with schizophrenia might reduce potential discrepancy between patient and physician assessment, increase therapeutic alliance, and improve outcome.

可压平面混合层稳定性分析及数值模拟

可压平面混合层是包含复杂多时空尺度运动的非定常流体力学部问题，具有深刻的理论意义和广泛的应用背景。针对该问题所涉及内容的多面性，本文的目的是，基于高精度、高分辨率数值算法的构造、发展和数值行为分析，采用线性稳定性分析和直接数值模拟方法。从理论和计算两方面集中研究压缩性效应、粘性效应、初值效应以及燃烧反应放热效应等对可压平面混合层早期稳定性行为和大尺度拟序涡结构非线性演化的影响。以混合层已有研究成果的分析和综述为开端，论文主体共包括四部分：第一部分是可压平面混合层时间/空间模式数值线性稳定性分析。实现了高精度对称紧致差分格式（SCD）对可压粘性扰动线性稳定性边值问题的求解，对导出的线性和非线性离散特征值问题，提出了两个高效局部解法。研究涉及二维/三维扰动波、无粘/粘性扰动波、特征函数和特征值谱、第一/第二模态、超声速快/慢模态、速度比和密度比等。验证了对流Mach数Mc为一个合理的压缩性参数。指出压缩性效应和粘性效应对最不稳定扰动波的波数（频率）和增长率呈相拟的抑制作用，且时间模式稳定性分析结果在许多方面是可信的。从随机和线性扰动场出发，采用高精度五阶迎风紧致和六阶对称紧致混合差分算法（UCD5/SCD6）对可压平面混合层的稳定性特征进行了直接数值模拟，揭示了初始主导线性扰动与一些实际涡结构非线性作用形态间的内在关联，印证了线性稳定性分析方法的合理性和有效性。第二部分是高精度迎风紧致差分格式（UCD）时空全离散数值行为分析。导出了其一维/二维一般色散表达式。研究表明，UCD格式在高波数区具有内在的全离散耗散和色散特性；其数值群速度的快/慢特征可因CFL数不同而改变；在稳定CFL数下简单附加人工粘性可强化UCD格式在高波数区的耗散量；提高时间精度可放宽稳定CFL数限制；UCD格式的二维全离散色散介质中存在三个不同性质的数值波，其全离散稳定性由数值声波主控。第三部分实现了高精度UCD5/SCD6差分算法对空间发展可压平面混合层的直接数值模拟。通过亚谐扰动波的个数和扰动频率的控制，捕捉到了基频涡的饱和、一次和二次对并等现象，显示了大尺度涡结构与入中初始扰动方式之间的内在联系。利用参数Mc观察了压缩性效应对大尺度涡空间演化及其相互作用的影响。第四部分实现了高精度UCD5/SCD6差分算法对非预混扩散火焰化学反应平面混合层的直接数值模拟。研究指出，放热效应可抑制和延迟涡的形成，使基频涡卷拉伸甚至丧失，混合层Reynolds 应力&rho;u'v'和流向速度波动关联项u'v'下降，以致涡结构与外流动量交换和标量输运减少，脉动输运能力被削弱，从而混合效率、产物生成率和混合层增长率下降，放热主要通过膨胀效应和斜压效应来抑制大尺度涡的演化。

Novel roles of the SRP RNA in co-translational protein targeting

The signal recognition particle (SRP) and its receptor (SR) are universally conserved protein machineries that deliver nascent peptides to their proper destination. The SRP RNA is a universally conserved and essential component of SRP, which serves as the “catalyst” of the protein targeting cycle. The SRP RNA accelerates SRP-SR complex formation at the beginning of the protein targeting reaction, and triggers GTP hydrolysis and SRP-SR complex disassembly at the end. Here we combined biochemical and biophysical approaches to investigate the molecular mechanism of the functions of the SRP RNA. We found that two functional ends in the SRP RNA mediate distinct functions. The tetraloop end facilitates initial assembly of SRP and SR by mediating an electrostatic interaction with the Lys399 receptor, which ensures efficient and accurate substrate targeting. At the later stage of the SRP cycle, the SRP-SR complex relocalizes ~ 100 Angstrom to the 5’,3’-distal end of the RNA, a conformation crucial for GTPase activation and cargo handover. These results, combined with recent structural work, elucidate the functions of the SRP RNA during the protein targeting reaction.

A study of protein targeting reveals insights into mitigating protein aggregation

A unique chloroplast Signal Recognition Particle (SRP) in green plants is primarily dedicated to the post-translational targeting of light harvesting chlorophyll-a/b binding (LHC) proteins. Our study of the thermodynamics and kinetics of the GTPases of the system demonstrates that GTPase complex assembly and activation are highly coupled in the chloroplast GTPases, suggesting they may forego the GTPase activation step as a key regulatory point. This reflects adaptations of the chloroplast SRP to the delivery of their unique substrate protein. Devotion to one highly hydrophobic family of proteins also may have allowed the chloroplast SRP system to evolve an efficient chaperone in the cpSRP43 subunit. To understand the mechanism of disaggregation, we showed that LHC proteins form micellar, disc-shaped aggregates that present a recognition motif (L18) on the aggregate surface. Further molecular genetic and structure-activity analyses reveal that the action of cpSRP43 can be dissected into two steps: (i) initial recognition of L18 on the aggregate surface; and (ii) aggregate remodeling, during which highly adaptable binding interactions of cpSRP43 with hydrophobic transmembrane domains of the substrate protein compete with the packing interactions within the aggregate. We also tested the adaptability of cpSRP43 for alternative substrates, specifically in attempts to improve membrane protein expression and inhibition of amyloid beta fibrillization. These preliminary results attest to cpSRP43’s potential as a molecular chaperone and provides the impetus for further engineering endeavors to address problems that stem from protein aggregation.

Sideband manipulation of population inversion in a three-level Λ atomic system

Sideband manipulation of population inversion in a three-level A atomic configuration is investigated theoretically. Compared with the case of a nearly monochromatic field, a population inversion between an excited state and a ground state has been found in a wide sideband intensity range by increasing the difference in frequency between three components. Furthermore, the population inversion can be controlled by the sum of the relative phases of the sideband components of the trichromatic pump field with respective to the phase of the central component. Changing the sum phase from 0 to pi, the population inversion between the excited state and the ground state can increase within nearly half of the sideband intensity range. At the same time, the sideband intensity range that corresponds to the system exhibiting inversion rho(00) > rho 11 also becomes wider evidently.

Designing conformational control of human tissue transglutaminase

Understanding the mechanisms of enzymes is crucial for our understanding of their role in biology and for designing methods to perturb or harness their activities for medical treatments, industrial processes, or biological engineering. One aspect of enzymes that makes them difficult to fully understand is that they are in constant motion, and these motions and the conformations adopted throughout these transitions often play a role in their function.

Traditionally, it has been difficult to isolate a protein in a particular conformation to determine what role each form plays in the reaction or biology of that enzyme. A new technology, computational protein design, makes the isolation of various conformations possible, and therefore is an extremely powerful tool in enabling a fuller understanding of the role a protein conformation plays in various biological processes.

One such protein that undergoes large structural shifts during different activities is human type II transglutaminase (TG2). TG2 is an enzyme that exists in two dramatically different conformational states: (1) an open, extended form, which is adopted upon the binding of calcium, and (2) a closed, compact form, which is adopted upon the binding of GTP or GDP. TG2 possess two separate active sites, each with a radically different activity. This open, calcium-bound form of TG2 is believed to act as a transglutaminse, where it catalyzes the formation of an isopeptide bond between the sidechain of a peptide-bound glutamine and a primary amine. The closed, GTP-bound conformation is believed to act as a GTPase. TG2 is also implicated in a variety of biological and pathological processes.

To better understand the effects of TG2’s conformations on its activities and pathological processes, we set out to design variants of TG2 isolated in either the closed or open conformations. We were able to design open-locked and closed-biased TG2 variants, and use these designs to unseat the current understanding of the activities and their concurrent conformations of TG2 and explore each conformation’s role in celiac disease models. This work also enabled us to help explain older confusing results in regards to this enzyme and its activities. The new model for TG2 activity has immense implications for our understanding of its functional capabilities in various environments, and for our ability to understand which conformations need to be inhibited in the design of new drugs for diseases in which TG2’s activities are believed to elicit pathological effects.

High energy photoproduction of neutral mesons

Cross sections for the photoproduction of neutral pi, eta, rho and phi mesons on hydrogen have been measured at the Stanford Linear Accelerator Center using a missing mass spectrometer technique. The data cover photon energies between 5.0 and 17.8 GeV and four momentum transfer squared t between -.12 and -1.38 (GeV/c)².

Pion differential cross sections at lower energies show a peak at low momentum transfers, a distinctive dip and secondary maximum for t in the region -.4 to -.9 (GeV /c)², and a smooth decrease at higher momentum transfers. As photon energy increases, the dip becomes less pronounced, in contradiction to the expectations of simple Regge theories based on the exchange of omega and B trajectories only.

Eta photoproduction was measured only below 10 GeV. The cross section has about the same magnitude as the pion production cross section, but decreases exponentially with t, showing no dip.

Rho mesons appear to be diffractively produced. The differential cross section varies approximately as exp(8.5t + 2t²). It falls slowly with energy, decreasing about 35 percent from 6 GeV to 17.8 GeV. A simple quark model relation appears to describe the data well.

Phi meson cross sections are also consistent with diffraction production. The differential cross section varies approximately as exp(4t). The cross section tends to decrease slightly with photon energy.

Two overrun phenomena and their effects on fusion yield in the Coulomb explosion of heteronuclear clusters

Two overrun effects in the Coulomb explosion dynamics of heteronuclear clusters have been investigated theoretically by the use of a simplified electrostatic model. When the charge-to-mass ratio of light ions is higher than that of heavy ions, the light ions can overtake the heavy ions inside the cluster and acquire a higher kinetic energy. Further, if the charge density of the heavy ions is twice as high as that of the light ions, i.e. a proposed competitive parameter xi = rho BqB/rho AqA > 2, the inner light ions can overtake those light ions on the surface of the cluster and form a shock shell during the explosion, which might drive the intracluster collision and fusion of the light ions. Different regimes of nuclear fusion are discussed and the corresponding neutron yields are estimated. Our analysis indicates that the probability of intracluster fusion is quite low even if deuterated heteronuclear clusters such as (DI)(n) with large size and high competitive parameter are employed. However, heteronuclear clusters are still a better candidate compared with homonuclear clusters for enhancing the total intercluster fusion yield because both a higher energy region and a higher proportion of deuterons distributing in the energy region can be created in the deuterated heteronuclear clusters.