TMSCl-promoted selective oxidation of sulfides to sulfoxides with hydrogen peroxide

Selective oxidation of sulfides to sulfoxides is achieved using H₂O₂ and TMSCl as the promotor. Aromatic and aliphatic sulfides are oxidized to sulfoxides in excellent yields and in short reaction times. Different functional groups including ketone, alkene, ester, and alcohol are tolerated.     

Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques

The essential oil components of geranium oil cultivated in center of Iran were identified and determined using gas chromatography-mass spectrometry data combined with the chemometric resolution techniques. A total of 61 components accounting for 91.51% were identified using similarity searches between the mass spectra and MS database. This number was extended to 85 components using chemometric techniques. Various chemometric methods such as morphological scores, simplified Borgen method (SBM) and fixed size moving window evolving factor analysis (FSMWEFA) were used for determining the number of components, pure variables, zero concentration and selective regions. Then the overlapping peak clusters were resolved into pure chromatograms and pure mass spectra using heuristic evolving latent projections (HELP) method. A characteristic feature of the Iranian geranium oil is the absence of 10-epi-gamma-eudesmol in its constituents compared with the oil from northern and southern parts of India. The results of this work show that combination of hyphenated chromatographic methods and resolution techniques provide a complementary method for accurate analysis of essential oils.     

Inverse median location problems with variable coordinates

Given n points in \mathbbR^d{\mathbb{R}^d} with nonnegative weights, the inverse 1-median problem with variable coordinates consists in changing the coordinates of the given points at minimum cost such that a prespecified point in \mathbbR^d{\mathbb{R}^d} becomes the 1-median. The cost is proportional to the increase or decrease of the corresponding point coordinate. If the distances between points are measured by the rectilinear norm, the inverse 1-median problem is NP{\mathcal{NP}}-hard, but it can be solved in pseudo-polynomial time. Moreover, a fully polynomial time approximation scheme exists in this case. If the point weights are assumed to be equal, the corresponding inverse problem can be reduced to d continuous knapsack problems and is therefore solvable in O(nd) time. In case that the squared Euclidean norm is used, we derive another efficient combinatorial algorithm which solves the problem in O(nd) time. It is also shown that the inverse 1-median problem endowed with the Chebyshev norm in the plane is NP{\mathcal{NP}}-hard. Another pseudo-polynomial algorithm is developed for this case, but it is shown that no fully polynomial time approximation scheme does exist.     

Synthesis of an ion-imprinted sorbent by surface imprinting of magnetized carbon nanotubes for determination of trace amounts of cadmium ions

Microchimica Acta - The authors report on the preparation of sol-gel coated magnetized carbon nanotubes whose surface were imprinted with Cd2+ ions and the application of these materials on...     

Quasirecognition by prime graph of the simple group <Superscript>2</Superscript><Emphasis Type="Italic">G</Emphasis><Subscript>2</Subscript>(<Emphasis Type="Italic">q</Emphasis>)

Let G be a finite group. The main result of this paper is as follows: If G is a finite group, such that Γ(G) = Γ(²G₂(q)), where q = 3²ⁿ⁺¹ for some n ≥ 1, then G has a (unique) nonabelian composition factor isomorphic to ² G ₂(q). We infer that if G is a finite group satisfying |G| = |² G ₂(q)| and Γ(G) = Γ (² G ₂(q)) then G ? = ² G ₂(q). This enables us to give new proofs for some theorems; e.g., a conjecture of W. Shi and J. Bi. Some applications of this result are also considered to the problem of recognition by element orders of finite groups.     

Use of gas chromatography-mass spectrometry combined with resolution methods to characterize the essential oil components of Iranian cumin and caraway

Gas chromatography-mass spectrometry combined with iterative and non-iterative resolution methods was used to characterize the essential oil components of Iranian cumin and caraway. Orthogonal projection resolution (OPR) as a non-iterative and distance-selection-multivariate curve resolution-alternative least squares (DS-MCR-ALS) as an iterative method were used as auxiliary means to the analysis in the case of overlapping peaks. A total of 19 and 39 components were identified by direct similarity searches for cumin and caraway oils, respectively. These numbers were extended to 49 and 98 components, respectively with the help of chemometric techniques. Major constituents in cumin are gamma-terpinene (15.82%), 2-methyl-3-phenyl-propanal (32.27%) and myrtenal (11.64%) and in caraway are gamma-terpinene (24.40%), 2-methyl-3-phenyl-propanal (13.20%) and 2, 4(10)-thujadien (14.02%). In spite of different cultivation conditions, there are 28 components which are common between the two seeds.     

<Emphasis Type="Italic">Ab initio</Emphasis> Study of Structural and Conformational Properties of Five- to Nine-Membered Cyclic 1,2,3-Trienes

Summary.  The structures and relative energies of fundamental conformations of cyclopenta-1,2,3-triene, cyclohexa-1,2,3-triene, cylohepta-1,2,3-triene, cycloocta-1,2,3-triene, and cyclonona-1,2,3-triene were calculated by the HF/6-31G^* and MP2/6-31G^*//HF/6-31G^* methods. Only a C _2v symmetric planar conformation is available to cyclopenta-1,2,3-triene and cyclohexa-1,2,3-triene. The calculated energy barrier for ring inversion of the C _S symmetric puckerd conformation of cyclohepta-1,2,3-triene via the planar geometry is 62.2 kJ·mol⁻¹. The C ₂ symmetric twist conformation of cycloocta-1,2,3-triene was calculated to be the most stable one. Conformational racemization of the twist form takes place via the C _S symmetric half-chair geometry, which is by 60.8 kJ·mol⁻¹ less stable than the twist conformer. The C _S symmetric chair and unsymmetrical twist-boat conformations of cyclonona-1,2,3-triene were calculated to have similar energies; their interconversion takes place via an unsymmetrical low-energy (18.4 kJ·mol⁻¹) transition state. The twist (C ₂) and boat (C _S) geometries of cyclonona-1,2,3-triene are higher in energy by 13.2 and 33.9 kJ·mol⁻¹, respectively. Ring inversion in chair and twist-boat conformations takes place via a twist form as intermediate and requires 33.6 kJ·mol⁻¹. Corresponding author. E-mail: isayavar@yahoo.com Received March 25, 2002; accepted April 4, 2002     

Automatic control of a modified tractor to work on steep side slopes

The main purpose of this paper is to investigate the control and stability of a tractor moving over obstacles on steep side slopes. To this end, a modified slope tractor is considered and the lateral stability of the vehicle is studied. The modified tractor is able to roll against the side slope and change the position of its mass centre. The tractor behaviour in a sloped field on a straight path is simulated in ADAMS software environment. A two-layer controller consisting of a Fuzzy upper layer and a PI lower layer is designed for the control of tractor stability. The dynamics of hydraulic actuators adjusting the body roll angle is also included. The stability of controlled and uncontrolled tractors is investigated by several simulations. It is shown that in comparison with the two types of ordinary and uncontrolled slope tractors, the controller is capable of maintaining the stability of modified tractor and preventing it from rollover and instability on various side slopes and obstacles.     

Classical and Inverse Median Location Problems under Uncertain Environment

In this paper,we first consider the classical p-median location problem on a network in which the vertex weights and the distances between vertices are uncertain variables.The uncertainty distribution of the optimal objective value of the p-median problem is given and the concepts of the α-p-median,the most p-median and the expected p-median are introduced.Then,it is shown that the uncertain p-median problem is NP-hard on general networks.However,if the underlying network is a tree,an efficient algorithm for the uncertain 1-median problem with linear time complexity is proposed.Finally,we investigate the inverse 1-median problem on a tree with uncertain vertex weights and present a programming model for the problem.Then,it is shown that the proposed model can be reformulated into a deterministic programming model.     

Immobilizing Pd nanoparticles on the ternary hybrid system of graphene oxide,Fe3O4 nanoparticles,and PAMAM dendrimer as an efficient support for catalyzing sonogashira coupling reaction

An alternative approach to develop a Pd catalyst based on dendrimer‐functionalized graphene oxide for C‐C cross‐coupling reactions is reported. Pd@MGO‐D‐NH₂ has been synthesized by incipient wet impregnation method. The structure of the catalyst was thoroughly characterized by a set of analytical techniques such as TEM, BET, SEM/EDS, FTIR, and elemental mapping analysis. Then, the catalytic activity of the catalyst was scrutinized for promoting sonogashira C‐C coupling reaction. The results manifested that Pd@MGO‐D‐NH₂ was able to catalyze the coupling reaction to obtain high coupling yields in short reaction time. The results of present work are hoped to aid the development of new class of heterogeneous catalysts as the high performance candidate for industrial applications.