Hydrolysis Process of the Anticancer Agents Novel Non-classical trans-Platinum(Ⅱ) with Aliphatic Amines

The hydrolysis process of the anticancer agents novel non-classical transplatinum（ Ⅱ ） with aliphatic amines and the influence of solvent models therein have been studied by using hybrid density functional theory （B3LYP）. In this study, the stepwise hydrolysis, trans[PtCl2（Am）（isopropylamine）] ＋ 2H2O → trans-[Pt（Am）（isopropylamine）（OH2）2]^2＋＋ 2Cl^-, was explored. Implicit solvent effects were incorporated through polarized continuum models. The stationary points on the potential energy surfaces for the first and second hydrolysis steps,proceeding via a general SN2 pathway, were fully optimized and characterized. It was found that the first hydrolysis reaction is easier than the second one and the hydrolysis of trans- [PtCl2-（isopropylamine）2] is the easiest in our studying systems. The result can assist in under- tanding the hydrolysis mechanism of trans-[PtCl2（Am）（isopropylamine）] and designing novel Pt-based anticancer drugs.

A method for stochastic seismic response analysis of non-classically damped structures

A method to calculate the stationary random response of a non-classically damped structure is proposed that features clearly-defined physical meaning and simple expression. The method is developed in the frequency domain. The expression of the proposed method consists of three terms, i.e., modal velocity response, modal displacement response, and coupled (between modal velocity and modal displacement response). Numerical results from the parametric study and three example structures reveal that the modal velocity response term and the coupled term are important to structural response estimates only for a dynamic system with a tuned mass damper. In typical cases, the modal displacement term can provide response estimates with satisfactory accuracy by itself, so that the modal velocity term and coupled term may be ignored without loss of accuracy. This is used to simplify the response computation of non-classically damped structures. For the white noise excitation, three modal correlation coefficients in closed form are derived. To consider the modal velocity response term and the coupled term, a simplified approximation based on white noise excitation is developed for the case when the modal velocity response is important to the structural responses. Numerical results show that the approximate expression based on white noise excitation can provide structural responses with satisfactory accuracy.

THE ANALYTICAL APPROACH FOR LARGE SCALE NON-CLASSICALLY DAMPED DYNAMIC SYSTEM

This paper gives a dynamic decoupling approach for the analysis of large scale non-classically damped system, in which the complex variable computations were completely avoided not only in solving for the eigenvalue problem but also in the calculation of the dynamic response. The analytical approaches for undamped gyroscopic system, non-classically damped system, including the damped gyroscopic system were unified. Very interesting and useful theoretical results, practical algorithms were obtained which are applicable to both non-defective and defective systems.

Concrete damage diagnosed using the non-classical nonlinear acoustic method

It is known that the strength of concrete is seriously affected by damage and cracking. In this paper, six concrete samples under different damage levels are studied. The experimental results show a linear dependence of the resonance frequency shift on strain amplitude at the fundamental frequency, and approximate quadratic dependence of the am- plitudes of the second and third harmonics on strain amplitude at the fundamental frequency as well. In addition, the amplitude of the third harmonics is shown to increase with the increase of damage level, which is even higher than that of the second harmonics in samples with higher damage levels. These are three properties of non-classical nonlinear acoustics. The nonlinear parameters increase from 106 to 108 with damage level, and are more sensitive to the damage level of the concrete than the linear parameters obtained by using traditional acoustics methods. So, this method based on non-classical nonlinear acoustics may provide a better means of non-destructive testing （NDT） of concrete and other porous materials.

Photon-added and photon-subtracted displaced Fock states and their non-classical properties

A new kind of quantum optical state, photon-added and -subtracted displaced Fock states, is introduced by applying the inverse of bosonic creation and annihilation operators to displaced Fock states. The quantum statistical properties of these states are investigated by numerical methods. Numerical results indicate that these states reveal some interesting non-classical properties, such as anti-bunching effects, sub-Poisson distributions and negativities of their Wigner functions.

Ordered Rate Constitutive Theories for Non-Classical Thermoviscoelastic Fluids with Internal Rotation Rates

The paper presents constitutive theories for non-classical thermoviscoelastic fluids with dissipation and memory using a thermodynamic framework based on entirety of velocity gradient tensor. Thus, the conservation and the balance laws used in this work incorporate symmetric as well as antisymmetric part of the velocity gradient tensor. The constitutive theories derived here hold in coand contra-variant bases as well as in Jaumann rates and are derived using convected time derivatives of Green’s and Almansi strain tensors as well as the Cauchy stress tensor and its convected time derivatives in appropriate bases. The constitutive theories are presented in the absence as well as in the presence of the balance of moment of moments as balance law. It is shown that the dissipation mechanism and the fading memory in such fluids are due to stress rates as well as moment rates and their conjugates. The material coefficients are derived for the general forms of the constitutive theories based on integrity. Simplified linear (or quasi-linear) forms of the constitutive theories are also presented. Maxwell, Oldroyd-B and Giesekus constitutive models for non-classical thermoviscoelastic fluids are derived and are compared with those derived based on classical continuum mechanics. Both, compressible and incompressible thermoviscoelastic fluids are considered.

Thermodynamic Consistency of Plate and Shell Mathematical Models in the Context of Classical and Non-Classical Continuum Mechanics and a Thermodynamically Consistent New Thermoelastic Formulation

Inclusion of dissipation and memory mechanisms, non-classical elasticity and thermal effects in the currently used plate/shell mathematical models require that we establish if these mathematical models can be derived using the conservation and balance laws of continuum mechanics in conjunction with the corresponding kinematic assumptions. This is referred to as thermodynamic consistency of the mathematical models. Thermodynamic consistency ensures thermodynamic equilibrium during the evolution of the deformation. When the mathematical models are thermodynamically consistent, the second law of thermodynamics facilitates consistent derivations of constitutive theories in the presence of dissipation and memory mechanisms. This is the main motivation for the work presented in this paper. In the currently used mathematical models for plates/shells based on the assumed kinematic relations, energy functional is constructed over the volume consisting of kinetic energy, strain energy and the potential energy of the loads. The Euler’s equations derived from the first variation of the energy functional for arbitrary length when set to zero yield the mathematical model(s) for the deforming plates/shells. Alternatively, principle of virtual work can also be used to derive the same mathematical model(s). For linear elastic reversible deformation physics with small deformation and small strain, these two approaches, based on energy functional and the principle of virtual work, yield the same mathematical models. These mathematical models hold for reversible mechanical deformation. In this paper, we examine whether the currently used plate/shell mathematical models with the corresponding kinematic assumptions can be derived using the conservation and balance laws of classical or non-classical continuum mechanics. The mathematical models based on Kirchhoff hypothesis (classical plate theory, CPT) and first order shear deformation theory (FSDT) that are representative of most mathematical models for plates/shells are investigated in this paper for their thermodynamic consistency. This is followed by the details of a general and higher order thermodynamically consistent plate/shell thermoelastic mathematical model that is free of a priori consideration of kinematic assumptions and remains valid for very thin as well as thick plates/shells with comprehensive nonlinear constitutive theories based on integrity. Model problem studies are presented for small deformation behavior of linear elastic plates in the absence of thermal effects and the results are compared with CPT and FSDT mathematical models.

Finite Element Processes Based on GM/WF in Non-Classical Solid Mechanics

In non-classical thermoelastic solids incorporating internal rotation and conjugate Cauchy moment tensor the mechanical deformation is reversible. This suggests that within the realm of linear mathematical models that only consider small strains and small deformation the mechanical deformation is reversible. Hence, it is possible to recast the conservation and balance laws along with constitutive theories in a form that adjoint A* of the differential operator A in mathematical model is same as the differential operator A. This holds regardless of whether we consider an initial value problem (IVP) (when the integrals over open boundary are neglected) or boundary value problem (BVP). Thus, in such cases Galerkin method with weak form (GM/WF) for BVPs and space-time Galerkin method with weak form (STGM/WF) for IVPs are highly meritorious due to the fact that: 1) the integral form for BVPs is variationally consistent (VC) and 2) the space-time integral forms for IVP are space time variationally consistent (STVC). The consequence of VC and STVC integral forms is that the resulting coefficient matrices are symmetric and positive definite ensuring unconditionally stable computational processes for both BVPs and IVPs. Other benefits of GM/WF and space-time GM/WF are simplicity of specifying boundary conditions and initial conditions, especially traction boundary conditions and initial conditions on curved boundaries due to self-equilibrating nature of the sum of secondary variables that only exist in GM/WF due to concomitant. In fact, zero traction conditions are automatically satisfied in GM/WF, hence need not be specified at all. While VC and STVC feature also exists in least squares process (LSP) and space-time least squares finite element processes (STLSP) for BVPs and IVPs, the ease of specifying traction boundary conditions feature in GM/WF and STGM/WF is highly meritorious compared to LSP and STLSP in which zero traction conditions need to be explicitly specified. A disadvantage of GM/WF and STGM/ WF is that the mathematical models (momentum equations) needed in the desired form contain higher order derivatives of displacements (upto fourth order), hence necessitate use of higher order spaces in their solution. As well known, this problem can be easily overcome in LSP and STLSP by introduction of auxiliary equations and auxiliary variables, thus keeping the highest orders of the derivatives of the dependent variables to one or any other desired order. A serious disadvantage of this approach in LSP is the significant increase in the number of dependent variables, hence poor computational efficiency. In this paper we consider non-classical continuum models for internally polar linear elastic solids in which internal rotations due to displacement gradient tensor (hence internal polar physics) are considered in the conservation and the balance laws and the constitutive theories. For simplicity, we only consider isothermal case;hence energy equation is not part of mathematical model. When using mathematical models derived in displacements in GM/WF and LSP in constructing integral forms, we note that in GM/WF the number of dependent variables is reduced drastically (only three in R3), whereas in case of first order systems used in LSP and STLSP we may have as many as 22 dependent variables for isothermal case. Thus, GM/WF results in dramatic improvement in computational efficiency as well as accuracy when minimally conforming spaces are used for approximations. In this paper we only consider mathematical model in R2 for BVPs (for simplicity). Mathematical models for IVP and BVP in R3 will be considered in subsequent paper. The integral form is derived in R2 using GM/WF. Numerical examples are presented using GM/WF and LSP to demonstrate advantages of finite element process derived using integral form based on GM/WF for non-classical linear theories for solids incorporating internal rotations due to displacement gradient tensor.

On precise time integration method for non-classically damped MDOF systems

In the complex mode superposition method, the equations of motion for non-classically damped multiple-degree-of-freedom （MDOF） discrete systems can be transferred into a combination of some generalized SDOF complex oscillators. Based on the state space theory, a precise recurrence relationship for these complex oscillators is set up; then a delicate general solution of non-classically damped MDOF systems, completely in real value form, is presented in this paper. In the proposed method, no calculation of the matrix exponential function is needed and the algorithm is unconditionally stable. A numerical example is given to demonstrate the validity and efficiency of the proposed method.

Some non-classical logics seen from a variety of perspectives

Logicians have worked with so many different logical systems that it is not possible even to esti-mate the number. Of these, many are best seen as extensions of classical logic, including both thoseof interest to mathematics and those of interest to philosophy and computer science. (Henceforth Iwill use the term "intelligent systems theory" for the common ground of philosophical logic and

A Nonlinear Dynamical Theory of Non-Classical Plates

In ths paper. a new nonlinear formulation of plates. including shear and rotatory inertia and transverse normal stress effects, is developed by means of general assumptions, of which the von Karman-type formulation and some thick plate theories are special cases. To keep the formulation fairly general, the problem addressed in this paper simultaneously includes: the effects of shear deformation according to the geometric deformation similarity of the crosssection, the rotatory inertia, and the transverse normal stress. The three-dimensional compatible equations are applied to derive the basic equations. Numerical results are given for linear and non-linear analysis of plates.

Range of applicability of real mode superposition approximation method for seismic response calculation of non-classically damped industrial buildings

An industrial building is a non-classically damped system due to the different damping properties of the primary structure and equipment.The objective of this paper is to quantify the range of applicability of the real model superposition approximation method to the seismic response calculation of industrial buildings.The analysis using lumped mass-and-shear spring models indicates that for the equipment-to-structure frequency ratiosγf>1.1 orγf<0.9,the non-classical damping effect is limited,and the real mode superposition approximation method provides accurate estimates.For 0.9<γf<1.1,the system may have a pair of closely spaced frequency modes,and the non-zero off-diagonal damping terms have a non-negligible effect on the damping ratios and mode shape vectors of these modes.For 0.9<γf<1.1 and the equipment-to-structure mass ratiosγm<0.07,the real mode superposition approximation method results in large errors,while the approximation method can provide an accurate estimation for 0.9<γf<1.1 andγm>0.07.Furthermore,extensive parametric analyses are conducted,where both steel structures and reinforced concrete structures with equipment with various damping ratios are considered.Finally,the finite element analysis of a five-story industrial building is adopted to validate the proposed range of applicability.

Non-classical diffusion model for heat and mass transfer in laser drying

A numerical analysis of the laser drying process by employing a generalized,Maxwell-Cattaneo equation to treat both heat and mass transfer was presented. Calculations wereperformed to illustrate the non-classical transport of heat and moisture. The effect of the heatflux density and the initial moisture content on water removal was also investigated. The resultsindicate that the non-equilibrium mass diffusion plays an important role during the very earlystages of moisture removal, especially at the surface of the medium. Away from the surface, thenon-Fickian model shows a delay in the reduction of the moisture content. The calculation resultsalso show that the initial moisture content of the medium has a considerable effect on waterremoval.

Restrictions on the Material Coefficients in the Constitutive Theories for Non-Classical Viscous Fluent Continua

This paper considers conservation and balance laws and the constitutive theories for non-classical viscous fluent continua without memory, in which internal rotation rates due to the velocity gradient tensor are incorporated in the thermodynamic framework. The constitutive theories for the deviatoric part of the symmetric Cauchy stress tensor and the Cauchy moment tensor are derived based on integrity. The constitutive theories for the Cauchy moment tensor are considered when the balance of moments of moments 1) is not a balance law and 2) is a balance law. The constitutive theory for heat vector based on integrity is also considered. Restrictions on the material coefficients in the constitutive theories for the stress tensor, moment tensor, and heat vector are established using the conditions resulting from the entropy inequality, keeping in mind that the constitutive theories derived here based on integrity are in fact nonlinear constitutive theories. It is shown that in the case of the simplest linear constitutive theory for stress tensor used predominantly for compressible viscous fluids, Stokes' hypothesis or Stokes'?assumption has no thermodynamic basis, hence may be viewed incorrect. Thermodynamically consistent derivations of the restrictions on various material coefficients are presented for non-classical as well as classical theories that are applicable to nonlinear constitutive theories, which are inevitable if the constitutive theories are derived based on integrity.

Accuracy estimation of site coordinates derived from GNSS-observations by non-classical error theory of measurements

The velocities of tectonic plates derived from GNSS time series are regularly used as input data for geophysical models. However, as shown by numerous researches, the coordinates time series contain residual errors of a systematic nature, which can significantly affect the reliability of the obtained velocity estimates. This research shows that using non-classical error theory of measurement(NETM)for processing GNSS time series allows detecting the presence of weak, not removed from GNSS processing, sources of systematic errors. Based on the coordinate time series of selected permanent GNSS stations in Europe, we checked the empirical distributions of errors by the NETM on G. Jeffries’ recommendations and on the principles of the theory of hypothesis tests according to Pearson’s criterion. It is established that the obtained coordinates time series of GNSS-stations only partially confirm the hypothesis of their conformity to the normal Gaussian distribution law, and this may be the main reason for their unrepresentative classification. In the future, it is necessary to identify and take into account the causes of residual errors that distort the real distribution of the results of the GNSS time series.

Rate Constitutive Theories of Orders n and 1n for Internal Polar Non-Classical Thermofluids without Memory

In recent papers, Surana et al. presented internal polar non-classical Continuum theory in which velocity gradient tensor in its entirety was incorporated in the conservation and balance laws. Thus, this theory incorporated symmetric part of the velocity gradient tensor (as done in classical theories) as well as skew symmetric part representing varying internal rotation rates between material points which when resisted by deforming continua result in dissipation (and/or storage) of mechanical work. This physics referred as internal polar physics is neglected in classical continuum theories but can be quite significant for some materials. In another recent paper Surana et al. presented ordered rate constitutive theories for internal polar non-classical fluent continua without memory derived using deviatoric Cauchy stress tensor and conjugate strain rate tensors of up to orders n and Cauchy moment tensor and its conjugate symmetric part of the first convected derivative of the rotation gradient tensor. In this constitutive theory higher order convected derivatives of the symmetric part of the rotation gradient tensor are assumed not to contribute to dissipation. Secondly, the skew symmetric part of the velocity gradient tensor is used as rotation rates to determine rate of rotation gradient tensor. This is an approximation to true convected time derivatives of the rotation gradient tensor. The resulting constitutive theory: (1) is incomplete as it neglects the second and higher order convected time derivatives of the symmetric part of the rotation gradient tensor;(2) first convected derivative of the symmetric part of the rotation gradient tensor as used by Surana et al. is only approximate;(3) has inconsistent treatment of dissipation due to Cauchy moment tensor when compared with the dissipation mechanism due to deviatoric part of symmetric Cauchy stress tensor in which convected time derivatives of up to order n are considered in the theory. The purpose of this paper is to present ordered rate constitutive theories for deviatoric Cauchy strain tensor, moment tensor and heat vector for thermofluids without memory in which convected time derivatives of strain tensors up to order n are conjugate with the Cauchy stress tensor and the convected time derivatives of the symmetric part of the rotation gradient tensor up to orders 1n are conjugate with the moment tensor. Conservation and balance laws are used to determine the choice of dependent variables in the constitutive theories: Helmholtz free energy density Φ, entropy density η, Cauchy stress tensor, moment tensor and heat vector. Stress tensor is decomposed into symmetric and skew symmetric parts and the symmetric part of the stress tensor and the moment tensor are further decomposed into equilibrium and deviatoric tensors. It is established through conjugate pairs in entropy inequality that the constitutive theories only need to be derived for symmetric stress tensor, moment tensor and heat vector. Density in the current configuration, convected time derivatives of the strain tensor up to order n, convected time derivatives of the symmetric part of the rotation gradient tensor up to orders 1n, temperature gradient tensor and temperature are considered as argument tensors of all dependent variables in the constitutive theories based on entropy inequality and principle of equipresence. The constitutive theories are derived in contravariant and covariant bases as well as using Jaumann rates. The nth and 1nth order rate constitutive theories for internal polar non-classical thermofluids without memory are specialized for n = 1 and 1n = 1 to demonstrate fundamental differences in the constitutive theories presented here and those used presently for classical thermofluids without memory and those published by Surana et al. for internal polar non-classical incompressible thermofluids.

Rotational Inertial Physics in Non-Classical Thermoviscous Fluent Continua Incorporating Internal Rotation Rates

In this paper, we derive non-classical continuum theory for physics of compressible and incompressible thermoviscous non-classical fluent continua using the conservation and balance laws (CBL) by incorporating additional physics of internal rotation rates arising from the velocity gradient tensor as well as their time varying rates and the rotational inertial effects. In this non-classical continuum theory time dependent deformation of fluent continua results in time varying rotation rates i.e., angular velocities and angular accelerations at material points. Resistance offered to these by deforming fluent continua results in additional moments, angular momenta and inertial effects due to rotation rates i.e., angular velocities and angular accelerations at the material points. Currently, this physics due to internal rotation rates and inertial effects is neither considered in classical continuum mechanics (CCM) nor in non-classical continuum mechanics (NCCM). In this paper, we present a derivation of conservation and balance laws in Eulerian description: conservation of mass (CM), balance of linear momenta (BLM), balance of angular momenta (BAM), balance of moment of moments (BMM), first and second laws of thermodynamics (FLT, SLT) that include: (i) Physics of internal rotation rates resulting from the velocity gradient tensor;(ii) New physics resulting due to angular velocities and angular accelerations due to spatially varying and time dependent rotation rates. The balance laws derived here are compared with those that only consider the rotational rates but neglect rotational inertial effects and angular accelerations to demonstrate the influence of the new physics. Constitutive variables and their argument tensors are established using conjugate pairs in the entropy inequality, additional desired physics and principle of equipresence when appropriate. Constitutive theories are derived using Helmholtz free energy density as well as representation theorem and integrity (complete basis). It is shown that the mathematical model consisting of the conservation and balance laws and constitutive theories presented in this paper has closure. Influence of new physics in the conservation and balance laws on compressible and incompressible thermoviscous fluent continua is demonstrated due to presence of angular velocities and angular accelerations arising from time varying rotation rates when the deforming fluent continua offer rotational inertial resistance. The fluent continua are considered homogeneous and isotropic. Model problem studies are considered in a follow-up paper.

Applications of Non-Classical Equations and Their Approaches to the Solution of Some of Classes Equations Arise in the Kelvin-Helmholtz Mechanism and Instability

In the presented work, we consider applications of non-classical equations and their approaches to the solution of some classes of equations that arise in the Kelvin-Helmholtz Mechanism (KHM) and instability. In all areas where the Kelvin-Helmholtz instability (KHI) problem is investigated with the corresponding data unchanged, the solution can be taken directly in a specific form (for example, to determine the horizontal structure of a perturbation in a barotropic rotational flow, which is a boundary condition taken, as well as other types of Kelvin-Helmholtz instability problems). In another example, the shear flow along the magnetic field in the Z direction, which is the width of the contact layer between fast and slow flows, has a velocity gradient along the X axis with wind shear. The most difficult problems arise when the above unmentioned equation has singularities simultaneously at points and in this case, our results also remain valid. In the case of linear wave analysis of Kelvin-Helmholtz instability (KHI) at a tangential discontinuity (TD) of ideal magneto-hydro-dynamic (MHD) plasma, it can be attributed to the presented class, and in this case, as far as we know, solutions for eigen modes of instability KH in MHD plasma that satisfy suitable homogeneous boundary conditions. Based on the above mentioned area of application for degenerating ordinary differential equations in this work, the method of functional analysis in order to prove the generalized solution is used. The investigated equation covers a class of a number of difficult-to-solve problems, namely, generalized solutions are found for classes of problems that have analytical and mathematical descriptions. With the aid of lemmas and theorems, the existence and uniqueness of generalized solutions in the weight space are proved, and then general and particular exact solutions are found for the considered problems that are expressed analytically explicitly. Obtained our results may be used for all the difficult-to-solve processes of KHM and instabilities and instabilities, which cover widely studied areas like galaxies, Kelvin-Helmholtz instability in the atmospheres of planets, oceans, clouds and moons, for example, during the formation of the Earth or the Red Spot on Jupiter, as well as in the atmospheres of the Sun and other stars. In this paper, also, a fairly common class of equations and examples are indicated that can be used directly to enter data for the use of the studied suitable tasks.

THE RIEMANN PROBLEM FOR A TWO-DIMENSIONAL HYPERBOLIC SYSTEM OF CONSERVATION LAWS WITH NON-CLASSICAL SHOCK WAVES

The Riemann problem for a two-dimensional 2 x 2 nonstrictly hyperbolic system of nonlinear conservation laws has been solved thoroughly for any given initial data which are constant in each quadrant. The non-classical shockwaves, which are labelled as delta-shock waves, appear in some solutions. The solutions have been obtained are not unique. Due to the specific property of the system considered, there are no rarefaction waves in solution. This paper is divided into three parts. The first part constructs Riemann solutions for initial data involving two contact discontinuities while the second considers the case for other initial data. The last part briefly discusses the non-uniqueness of the solutions.

Non-classical phenotypes of autoimmune hepatitis and advances in diagnosis and treatment

Non-classical manifestations of autoimmune hepatitis can delay diagnosis and treatment.Our aims were to describe the clinical phenotypes that can confound the diagnosis,detail scoring systems that can ensure their recognition,and outline advances in treatment that can improve their outcome.Prime source and review articles in English were selected through Medline from 1970-2008 and assimilated into personal libraries spanning 32 years.Acute severe or asymptomatic presentations and atypical histological findings,including centrilobular zone 3 necrosis and concurrent bile duct changes,are compatible with the diagnosis.Cholangiographic abnormalities may be present in children and adults with the disease,and autoimmune hepatitis must be considered in patients without autoantibodies or with antimitochondrial antibodies and no other cholestatic features.Asymptomatic patients frequently become symptomatic;mild disease can progress;and there are no conf ident indices that justify withholding treatment.Two diagnostic scoring systems with complementary virtues have been developed to evaluate patients with confusing features.Normal liver tests and tissue constitute the optimal end point of treatment,and the f irst relapse is an indication for long-term azathioprine therapy.Cyclosporine,tacrolimus and mycophenolate mofetil are promising salvage therapies,and budesonide with azathioprine may be a superior frontline treatment.We conclude that the non-classical phenotypes of autoimmune hepatitis can be recognized promptly,diagnosed accurately,and treated effectively.