bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carbonic Anhydrase Inhibitors: Synthesis and Inhibition of Cytosolic/Tumor‐Associated Carbonic Anhydrase Isozymes I, II, IX, and XII with N‐Hydroxysulfamides — A New Zinc‐Binding Function in the Design of Inhibitors.
Authors: Winum Jean‐Yves , Innocenti Alessio , Nasr Jihane , Montero Jean‐Louis , Scozzafava Andrea , Vullo Daniela , Supuran Claudiu T. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Homogeneous and Heterogenized Au(III) Schiff Base‐Complexes as Selective and General Catalysts for Self‐Coupling of Aryl Boronic Acids.
Authors: Gonzalez‐Arellano C. , Corma A. , Iglesias M. , Sanchez F. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Palladium‐Catalyzed Cyclization Reactions of Propargylic Carbonates with Nucleophiles: A Methodology for the Syntheses of Substitued 2,3‐Dihydrofurans and Benzofurans.
Authors: Yoshida Masahiro , Morishita Yukio , Fujita Mika , Ihara Masataka 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Reactions of Substituted 2,3,7‐Triazabicyclo[3.3.0]oct‐2‐enes and 1,2,7‐Triazaspiro[4.4]non‐1‐enes with Halogens.
Authors: Molchanov A. P. , Stepakov A. V. , Kostikov R. R. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis of Benzoylmethylpyrazolidine Regioisomers on the Surface of Basic Adsorbents: A Competitive Attack of Crotonaldehyde at the Two Nitrogen Atoms of 1,2‐Acetylphenylhydrazine.
Authors: Sviridova Lyudmila A. , Golubeva Galina A. , Tavtorkin Aleksandr N. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
4‐Functionally Substituted 3‐Heterylpyrazoles. Part 14. N‐Benzyl‐N‐[3‐aryl(heteryl)‐4‐pyrazolylmethylene]amines and Their Derivatives.
Authors: Bratenko M. K. , Panimarchuk O. I. , Chornous V. A. , Vovk M. V. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
A New Method for the Preparation of 1,2‐Benzisoxazole‐3‐carboxaldehyde.
Authors: Kalkote Uttam R. , Panchgalle Sharad P. , Mahakal Kumodini K. , Choudhary Suman M. , Chavan Subhash P. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Behavior of o‐Hydroxyacetophenones Towards Action of POCl3/DMF (Vilsmeier Reagent) in the Presence of BF3×Et2O: A Novel Observation in the Synthesis of Chromones.
Authors: Prakash Om , Kumar Ravi , Sharma Deepak , Bhardwaj Vikas 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Cyclopropanation of 3‐(2‐Oxo‐2H‐chromen‐3‐yl‐carbonyl)‐2H‐chromen‐2‐one with Zinc Enolates Derived from 1‐Aryl‐2,2‐dibromoalkanones.
Authors: Shchepin V. V. , Russkikh N. Yu. , Uzun D. V. , Silaichev P. S. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Ring Opening Reactions of 1,2‐Didehydroprolines. Part 2. Synthesis of 5‐Amino‐2,4‐dihydroxypentanoic Acids, Their 2‐Piperidones and Pentanolides.
Authors: Haeusler Johannes , Kaehlig Hanspeter 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Copper(I) Complexes of Fesulphos Ligands: Highly Efficient Chiral Lewis Acids for the Formal Aza Diels—Alder Reaction of N‐Sulfonyl Imines
Authors: Garcia Mancheno Olga , Gomez Arrayas Ramon , Carretero Juan C. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis of N‐(4‐Methyl‐1,2,3,4‐tetrahydro‐2 quinolinyl)‐N‐aryl Amines
Authors: Piri Farideh , Zalfard Hojat Allah , Gahramani Agdas , Yavari Issa 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Simple Synthesis of 4‐Aryl‐6‐styryl‐1,2,3,4‐tetrahydropyrimidin‐2‐ones by the Alkaline Hydrolysis of Biginelli Compounds.
Authors: Shutalev Anatoly D. , Aksionov Alexey N. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
4‐Functionally Substituted 3‐Heterylpyrazoles. Part 13. 3‐Aryl(heteryl)‐4‐(4‐pyrazolyl)‐1,2,3,4‐tetrahydropyrimidin‐2‐ones (thiones).
Authors: Bratenko M. K. , Chornous V. A. , Vovk M. V. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Rearrangement of Cycloalkyl[1,2‐e]oxazolo[3,2‐a]pyrimidin‐8/9‐ones: An Access to Cycloalkyl[1,2‐d]oxazolo[3,2‐a]pyrimidin‐5‐ones.
Authors: Adetchessi Ouru‐Sama , Leger Jean‐Michel , Guillon Jean , Forfar‐Bares Isabelle , Bosc Jean‐Jacques , Jarry Christian 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Novel 2‐Amino‐4‐oxo‐5‐arylthio‐substituted‐pyrrolo[2,3‐d]pyrimidines as Nonclassical Antifolate Inhibitors of Thymidylate Synthase.
Authors: Gangjee Aleem , Jain Hiteshkumar D. , Kisliuk Roy L. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
New Pyrazolo[1′,5′:1,6]pyrimido[4,5‐d]pyridazin‐4(3H)‐ones as Potent and Selective PDE5 Inhibitors.
Authors: Feixas Joan , Giovannoni Maria Paola , Vergelli Claudia , Gavalda Amadeu , Cesari Nicoletta , Graziano Alessia , Piaz Vittorio Dal 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis of Partially Hydrogenated 1,2,4‐Triazoloquinazolines by Condensation of 3,5‐Diamino‐1,2,4‐triazole with Aromatic Aldehydes and Dimedone.
Authors: Lipson V. V. , Desenko S. M. , Borodina V. V. , Shirobokova M. G. , Musatov V. I. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Efficient Synthesis of Novel Pentacyclic 6,7‐Dihydro‐5a,7a,13,14‐tetraaza‐pentaphene‐5,8‐diones.
Authors: Pereira Maria de Fatima , Picot Laurent , Guillon Jean , Leger Jean‐Michel , Jarry Christian , Thiery Valerie , Besson Thierry 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Transformations of 5‐Substituted 2‐Aryl‐7H‐[1,2,4]triazolo[3,2‐b][1,3]thiazin‐7‐ones and 2‐Aryl‐2,3‐dihydro‐4H‐[1,3]thiazino[3,2‐a]benzimidazol‐4‐ones.
Authors: Britsun V. N. , Esipenko A. N. , Chernega A. N. , Lozinskii M. O. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Antitumor Activity of N,N′‐Bis(substitutedphenyl) ‐3,6‐dialkyl‐1,4‐dihydro‐s‐tetrazine‐1,4‐dicarboxamide.
Authors: Hu Weixiao , Shi Haibo , Yuan Qing , Sun Yaquan 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Nucleophilic Aromatic Substitution Reactions of Fluorobenzenechromium Complexes with P‐Chiral Secondary Phosphine—Boranes: Synthesis of Optically Pure P‐Chiral (Dialkyl)arylphosphine—Boranes.
Authors: Katagiri Kosuke , Danjo Hiroshi , Yamaguchi Kentaro , Imamoto Tsuneo 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Stereoselective Synthesis of (7aS)‐1‐Methylenehexahydro‐1H‐pyrrolizine and (‐)‐Heliotridane from N‐Diphenylmethyl‐(S)‐proline Ethyl Ester.
Authors: Lysenko I. L. , Kulinkovich O. G. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Synthesis and Photophysics of a Porphyrin—Fullerene Dyad Assembled Through Watson—Crick Hydrogen Bonding.
Authors: Sessler Jonathan L. , Jayawickramarajah Janarthanan , Gouloumis Andreas , Torres Tomas , Guldi Dirk M. , Maldonado Stephen , Stevenson Keith J. 
Published: August 2005

AbstractFor Abstract see ChemInform Abstract in Full Text.
Dynamic plane stress computations for large plastic deformations
Authors: Johnson Gordon R. 
Published: August 2005

AbstractThere are many two‐dimensional computer codes available to compute wave propagation and plastic flow in solids. These codes are based on finite element or finite difference algorithms and are generally capable of analysing both axisymmetric and plane strain geometries. For the direct integration codes such as EPIC‐2,1,2 it is possible to perform plane stress computations by making only minor modifications to the plane strain algorithm. This note describes these modifications and presents an example.
A note on tangent stiffness for fully nonlinear contact problems
Authors: Wriggers P. , Simo J. C. 
Published: August 2005

AbstractIn the numerical solution of geometrically nonlinear contact problems by the finite element method, it is often assumed that the modification to the tangent stiffness takes the form of the single rank‐one‐update characteristic of the linear theory. It is shown that due to the kinematic nonlinearity such a simple structure no longer holds. Within the context of the discrete problem arising from a finite element formulation, explicit expressions for the residual and the tangent stiffness matrix are obtained for both penalty and Lagrangian parameter procedures.
A note on the numerical solution of the von karman small disturbance equation
Authors: Pilant M. S. 
Published: August 2005

AbstractIn this short note, we will derive the von Karman small disturbance equation from the full potential equation of gas dynamics through perturbation methods. Guderley1 and Germain2 have previously computed exact solutions, in similarity form, for the small disturbance equation. We show that these solutions can be computed efficiently by solving a single nonlinear second‐order differential equation. The shock and entropy conditions are automatically satisfied, and a one‐parameter family of solutions is recovered.
Penalty method constraints for mesh grading in two‐dimensional elasticity
Authors: Steven Grant P. 
Published: August 2005

AbstractThe application of the principle of virtual work in continuum mechanics is used to determine the equilibrium of a body in a compatible state of deformation. When there are constraints on the deformation then the minimization associated with the principle of virtual work has constraints imposed upon it. Constrained minimization is a much harder problem than unconstrained minimization. The penalty method effects a change from constrained to unconstrained minimization and has consequently become very useful to finite element modellers. This work examines the use of the penalty method to achieve finite element grid patterns where the same element type can be used and where significant changes in element size without associated element distortions are present. Several practical examples are presented and some theoretical aspects of the penalty method are discussed.
Finite element simulation of flows of fluids with integral constitutive equations
Authors: Malkus David S. 
Published: August 2005

AbstractFinite element procedures to compute solutions to steady flow problems with ‘memory fluids’ have been developed. While many aspects of these methods are still under development, they have reached the stage at which they can be implemented in general‐purpose nonlinear fluid mechanics codes which use the penalty form of the ‘v‐p’ formulation. The key to the success of such methods is the use of a very special element which allows virtually exact determination of the streamlines, and large‐strain elastic deformation tensors of the motion implied by the velocity field, which are required by the constitutive theories in question. This paper describes the constitutive equations and the numerical treatment of them which can be used to compute steady, two‐dimensional flow solutions. Some new results concerning hole pressures in plane flows over transverse slots are presented.
The expressions of elasto‐plastic matrices based on the deformation theory of plasticity
Authors: He Ji‐Fan 
Published: August 2005

AbstractWhen some elasto‐plastic problems are to be solved by finite element methods, e.g. when integral J in the elasto‐plastic fracture mechanics has to be calculated, the incremental method based on the deformation theory of plasticity is the most reasonable and effective. In this paper the expressions of elasto‐plastic matrices are derived from the Hencky equations. It is interesting that the expressions of matrices obtained in this paper are very similar in form to those derived from the Prandtl–Reuss equations in the flow theory of plasticity.
Defectiveness of weighting method in multicriterion optimization of structures
Authors: Koski Juhani 
Published: August 2005

AbstractIt is well known that the weighting method may fail in generating the Pareto optimal set of a multicriterion problem in non‐convex cases. In this paper, two simple truss examples, one static and one dynamic problem, are presented to show that this situation easily occurs in optimum structural design also.
Shock‐free transonic rotor design
Authors: Prince Timothy C. , Beauchamp Philip P. 
Published: August 2005

AbstractAn evaluation of Sobieczky's fictitious gas technique is presented as applied to the design of a transonic rotor. A representative transonic compressor rotor was redesigned using Sobieczky's technique in an ‘onion peel’ fashion. The design was followed by a full three‐dimensional inviscid analysis of the new rotor, to determine whether spanwise redistribution of the streamlines in the new flow would invalidate the technique by causing shocks to reappear. This analysis verified the suppression of shocks present in the initial flow field. This demonstrates that the technique can be used in practice to improve the design of transonic rotors and stators with subsonic flow at the inlet and exit.
Shock‐free redesign using finite elements
Authors: Carey G. F. , Pan T. T. 
Published: August 2005

AbstractA finite element formulation and algorithm for calculation of shock‐free compressible flows and design of shockless airfoils is developed. The formulation is conceptually similar to current finite difference methods in that it combines the use of a fictitious gas for a regularized compressible potential flow calculation, together with the method of characteristics in the supersonic pocket. The redesigned shock‐free airfoil surface is determined from a subsidiary streamline calculation. In the present analysis, a variational finite element method is used and optimal control techniques are employed to compute the solution to the discrete problem. Numerical results and comparison studies with finite difference results for a representative case are given.
Element‐by‐element linear and nonlinear solution schemes
Authors: Carey Graham F. , Jiang Bo‐Nan 
Published: August 2005

AbstractThe preconditionded conjugate gradient method for solving a linear algebraic system of equations is recast to a form that permits sequential element‐by‐element calculations suitable for computations with finite element methods. This strategy has been implemented for solving the linear systems arising in a finite element approximation for the standard test example of Laplace's equation. The element‐by‐element strategy has also been applied to the sequence of linear systems obtained using a successive approximation scheme for a representative class of nonlinear problems. Little storage is needed for these schemes, and test computations have been made on microprocessor, minicomputer, main‐frame computers and special processors. The approach also appears appealing for calculations on parallel processors since individual element computations can be done in parallel.
A note on the comparison between bie and fd techniques for solving elliptic BVPs with boundary singularities
Authors: Ingham D. B. , Kelmanson M. A. 
Published: August 2005

AbstractA quantative comparison between the boundary integral equation (BIE) method and the finite difference (FD) method is presented in which each technique is applied to an elliptic boundary‐value problem (BVP) containing a boundary singularity. Two types of singularity have previously been analysed theoretically, namely those due to a discontinuous boundary potential, which we shall refer to as S1, and those due to a sudden change from the specification of boundary potential flux, an S2 singularity. In this paper the analysis is presented for a third type of boundary singularity, namely an S3 singularity: that arising from a discontinuous boundary flux. Such a condition is frequently encountered in the field of heat transfer where, for example, a system or pipe has a change of lagging material.In general, it is found that the BIE method is superior, with regards to the computational time required to achieve a certain degree of accuracy, over standard FD methods even when there is a boundary singularity. Further, the BIE method determines the solution near the singularity much more accurately than the FD method. The FD method does, however, have advantages for a very restrictive class of problems; for example, when the boundary conditions are of the Dirichlet type and the boundary geometry is rectangular. In this case an optimum relaxation parameter can easily be obtained. A soon as Neumann conditions are prescribed, the BIE is far more efficient than the FD, whatever the boundary geometry.It is concluded that, for fast, accurate solutions of general Laplacian boundary‐value problems, the BIE is appreciably superior to the FD and this is even more pronounced when there is a boundary singularity.
Extension of the generalized benders' decomposition
Authors: Lazimy Rafael 
Published: August 2005

AbstractGeoffrion6generalized the Benders' decomposition approach1to a general class of ‘complicated’ nonlinear optimization programs. The theoretical significance of the work in Reference 6 is significant, but its computational usefulness is rather limited, due to some serious computational difficulties inherent in the master problem. In this paper, we report on a simple technique to overcome and eliminate these difficulties.
A marching method for solving Poisson's equations in the ETA10
Authors: Follin Steven E. , Kascic Michael J. 
Published: August 2005

AbstractA marching method for solving Poisson's equation in three dimensions is described and its suitability for a supercomputer is discussed. A more stable variant and its performance on a Cyber 205 supercomuter is then presented. Finally, a parallel vector processor under development, the ETA10, is described, implementation of the algorithm on this machine is discussed and estimated execution times are presented.
Hourglassing control through boundary smoothing
Authors: Schulz J. C. , Heimdahl O. E. R. 
Published: August 2005

AbstractA boundary smoothing technique for control of hourglassing deformation in quadrilateral and hexahedral finite elements is described. In this technique, supplemental forces are applied to lines of nodes along the boundary to eliminate length and angle changes associated with hourglassing. The main advantage of this technique is that it can be applied locally to a small number of nodes along the boundary rather than globally to all elements as is the case with other control techniques, thereby reducing the additional computational expense required for hourglassing control. This reduction can be especially significant in three‐dimensional problems. An example problem consisting of a square plate subjected to a step pressure is used to demonstrate the efficacy of the technique.
Pressure related instabilities of reduced Navier–Stokes equations for internal flows
Authors: Armfield S. W. , Fletcher C. A. J. 
Published: August 2005

AbstractOrder‐of‐magnitude deletion of the stream‐wise diffusion terms leads to a reduced form of the Navier–Stokes equations. Solving the reduced equations for internal flows with single‐sweep marching algorithms requires a severe minimum stream‐wise step‐size to avoid unstable solutions. This behaviour is shown to be predominantly due to a single term in the cross‐stream momentum equation, uvx, which introduces a strong elliptic character into the equations. An order‐of‐magnitude deletion of this term reduces the minimum stream‐wise step‐size sufficiently for accurate solutions to be obtained. Further reduction of the transverse momentum equation on an order‐of‐magnitude basis removes all cross‐stream velocity derivatives and completely eliminates the minimum stream‐wise step‐size condition for both swirling and non‐swirling flows.
A finite element model for tidal and residual circulation
Authors: Walters Roy A. 
Published: August 2005

AbstractHarmonic decomposition is applied to the shallow water equations, thereby creating a system of equations for the amplitude of the various tidal constituents and for the residual motions. The resulting equations are elliptic in nature, are well posed and in practice are shown to be numerically well‐behaved. There are a number of strategies for choosing elements: the two extremes are to use a few high‐order elements with continous derivatives, or to use a large number of simpler linear elements. In this paper simple linear elements are used and prove effective.
Numerical calculation of the elastic field in a half‐space
Authors: Kalker J. J. 
Published: August 2005

AbstractIn this paper the title problem is solved by discretizing the region of application of the load as a finite union of rectangles with non‐overlapping interiors. The surface traction is discretized by taking it constant over each rectangle. Then the displacement and the displacement gradients at an arbitrary point of the half‐space, due to the discretized load, can be found exactly as a finite concatenation of elementary operations and of arctangents and logarithms. Although this representation is numerically appropriate near the rectangle which generates the (partial) elastic field, it is less suitable far away from it. An asymptotic expression for the elastic field in this region is provided. An algorithm for the calculation of the elastic field is given. The method is applied to two examples, viz. the sub‐surface stresses of the Hertz frictionless problem and the steady state frictional rolling problem, both with a ciruclar contact area.
A multi‐level block iterative method for mixed finite strip/finite element analysis
Authors: Smith T. R. Graves , Gierlinski J. T. 
Published: August 2005

AbstractA block iterative procedure is described for use with a mixed finite strip/finite element method for solving prismatic structures containing non‐prisomatic elements. A multi‐level method incorporating the iteration is also discussed. The convergencies of the iterations and multi‐level solutions are considered with reference to a representative example.
Oscillatory integrals by Hermite interpolatory rules
Authors: Alaylioglu Ayse 
Published: August 2005

AbstractThis paper is concerned with the numerical construction of Hermite interpolatory product integration rules at arbitrarily prescribed nodes. The heart of the computational scheme is the efficient construction of Hermite functions of any order for any set of points. For the purpose of illustration, quadrature formulae based on the use of Basu. Clenshaw, Filippi, Filon and Polyá nodes are generated for oscillatory integrals. Of the nodes considered. Basu nodes yield the most accurate results in the interesting case of rapid oscillations, while Filippi nodes give rise to efficient common‐point quadrature rules when the integrand has slight oscillations. The results also demonstrate that Hermite rules compare well with the Lagrange quadrature for the same number of function evaluations.