A Simple Strategy to Prepare Colloidal Cu‐Doped ZnSe(S) Green Emitter Nanocrystals in Aqueous Media

A novel and simple method is described for preparing colloidal Cu‐doped ZnSe(S) quantum dots (QDs) in aqueous media by introducing copper ions using the same method as to prepare colloidal ZnSe(S). More specifically, the Cu‐doped ZnSe(S) are prepared through the nucleation‐doping method in the presence of 3‐mercaptopropionic acid as stabilizers using zinc perchlorate, copper sulphate, and NaHSe as precursors. Confirmation of the preparation of Cu‐doped ZnSe(S) nanocrystals (NCs) is done with absorption and emission spectroscopies (UV–vis and PL) as the QDs show intensive green emissions. The reduction of ions Cu²⁺ to Cu⁺ is confirmed by using electron paramagnetic resonance (EPR), in which Cu⁺ ions are silent. The size determination is performed by using transmission electron microscopy (TEM) and dynamic light scattering (DLS), resulting in Cu‐doped ZnSe(S) particles with a mean diameter of 4.6 ± 3.5 nm. The excellent stability observed for the nanoparticles overcomes the intrinsic instability of traditional aqueous Cu‐doped ZnSe(S) NCs.     

Turing patterns in the chlorine dioxide-iodine-malonic acid reaction with square spatial periodic forcing

We use the photosensitive chlorine dioxide-iodine-malonic acid reaction-diffusion system to study wavenumber locking of Turing patterns to two-dimensional "square" spatial forcing, implemented as orthogonal sets of bright bands projected onto the reaction medium. Various resonant structures emerge in a broad range of forcing wavelengths and amplitudes, including square lattices and superlattices, one-dimensional stripe patterns and oblique rectangular patterns. Numerical simulations using a model that incorporates additive two-dimensional spatially periodic forcing reproduce well the experimental observations.     

Photophysical properties of 4,4'-di-tert-butyl-2,2'-bipyridine supported 6-membered 2,2'-diphenyl-X platinacycles (X = CH2, NMe, O)

The six-membered platinacycle complex, Pt((t)Bu(2)bpy)(C(6)H(4)OC(6)H(4)) (6) ((t)Bu(2)bpy = 4,4'-di-tert-butyl-2,2'-bipyridine) has been prepared from Pt((t)Bu(2)bpy)Cl(2) and 2,2'-dilithio-diphenyl ether. Platinacycle 6 and its analogs with X = CH(2) (4) and NMe (5) exhibit intense solid-state photoluminescence and nearly identical crystal structures. The photophysical properties of 4-6 in the visible range are dominated by mixed metal-ligand-to-ligand charge transfer (MLL'CT) transitions involving high-lying filled mixed metal-ligand orbitals (ML), composed primarily of platinacyclic ring-based d- and π-orbitals, and a low lying vacant π* orbital (L') of the (t)Bu(2)bpy ligand. Lone pair donation from the bridging oxygen atom and especially the NMe group increases the energy of the mixed metal-ligand orbital (ML) without altering the energy of the (t)Bu(2)bpy π* orbital. As a result, the MLL'CT state energy decreases and the absorption and emission wavelengths are red-shifted. DFT and TD-DFT calculations support the experimental results. Additional calculations on the unknown platinacycles with X = CO (7) and SO(2) (8) predict a blue-shift for the MLL'CT absorption and emission. Two nearly equal energy triplet minima were located on the DFT triplet surface for 4-6. One of these (4T-6T) has a geometry very similar to the ground-state singlet (as represented by 4-6) and is associated with the emissive (3)MLL'CT excited state. The other triplet-state (4T'-6T') has a distorted structure where the platinacycle ring is twisted out of the Pt((t)Bu(2)bpy) plane. Thermal access to this distorted triplet may be responsible for the loss of photoluminescence in room temperature solutions of 4-6.     

Optimizing persistent random searches

We consider a minimal model of persistent random searcher with a short range memory. We calculate exactly for such a searcher the mean first-passage time to a target in a bounded domain and find that it admits a nontrivial minimum as function of the persistence length. This reveals an optimal search strategy which differs markedly from the simple ballistic motion obtained in the case of Poisson distributed targets. Our results show that the distribution of targets plays a crucial role in the random search problem. In particular, in the biologically relevant cases of either a single target or regular patterns of targets, we find that, in strong contrast to repeated statements in the literature, persistent random walks with exponential distribution of excursion lengths can minimize the search time, and in that sense perform better than any Levy walk.     

Synthesis,characterization, antifungal,antibacterial and DNA cleavage studies of some heterocyclic Schiff base metal complexes

Co(II), Ni(II), Cu(II) and Zn(II) complexes of the Schiff base derived from indole-3-carboxaldehyde and m-aminobenzoic acid were synthesized and characterized by elemental analysis, molar conductance, IR, UV–Vis, magnetic moment, powder XRD and SEM. The IR results demonstrate the bidentate binding mode of the ligand involving azomethine nitrogen and carboxylato oxygen atoms. The electronic spectral and magnetic moment results indicate that Co(II) and Ni(II) complexes have tetrahedral geometry, while Cu(II) complex is square planar. Powder XRD and SEM indicate the crystalline state and surface morphology studies of the complexes. The antimicrobial activity of the synthesized ligand and its complexes were screened by disc diffusion method. The results show that the metal complexes were found to be more active than the ligand. The nuclease activity of the ligand and its complexes were assayed on CT DNA using gel electrophoresis in the presence of H₂O₂. The Cu(II) complex showed increased nuclease activity in the presence of an oxidant when compared to the ligand and other complexes.     

Metal-assisted salphen organic frameworks (MaSOFs) with high surface areas and narrow pore-size distribution

The one-pot three component synthesis of metal containing microporous organic polymers with high BET surface areas is presented. The metal salphen units were built during the formation of the porous polymers. Selective gas adsorption depending on the metal ions is discussed.     

Towards the simulation of Internal Traverse Grinding – from mesoscale modelling to process simulations

The present work aims at the modelling and simulation of Internal Traverse Grinding of hardened 100Cr6/AISI 52100 using electro plated cBN grinding wheels. We focus on the thermomechanical behaviour resulting from the interaction of tool and workpiece in the process zone on a mesoscale. Based on topology analyses of the grinding wheel surface, two-dimensional single- and multigrain representative numerical experiments are performed to investigate the resulting load-displacement-behaviour as well as the specific heat generation due to friction and plastic dissipation. A thermoelastic-viscoplastic constitutive model is used to capture thermal softening of the material taken into account. Based on previous work, an adaptive remeshing scheme which uses a combination of error estimation and indicator methods, is applied to overcome mesh dependence. In consequence, the formulation allows to resolve the complex deformation patterns and to predict a realistic thermomechanical state of the resulting workpiece surface. (© 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Large Monotone Paths in Graphs with Bounded Degree

 We prove that for every ε>0 and positive integer r, there exists Δ₀=Δ₀(ε) such that if Δ>Δ₀ and n>n(Δ,ε,r) then there exists a packing of K _n with ⌊(n−1)/Δ⌋ graphs, each having maximum degree at most Δ and girth at least r, where at most εn ² edges are unpacked. This result is used to prove the following: Let f be an assignment of real numbers to the edges of a graph G. Let α(G,f) denote the maximum length of a monotone simple path of G with respect to f. Let α(G) be the minimum of α(G,f), ranging over all possible assignments. Now let α_Δ be the maximum of α(G) ranging over all graphs with maximum degree at most Δ. We prove that Δ+1≥α_Δ≥Δ(1−o(1)). This extends some results of Graham and Kleitman [6] and of Calderbank et al. [4] who considered α(K _n ). Received: March 15, 1999?Final version received: October 22, 1999     

A Comparison of Global Optimization Methods for the Design of a High-speed Civil Transport

The conceptual design of aircraft often entails a large number of nonlinear constraints that result in a nonconvex feasible design space and multiple local optima. The design of the high-speed civil transport (HSCT) is used as an example of a highly complex conceptual design with 26 design variables and 68 constraints. This paper compares three global optimization techniques on the HSCT problem and two test problems containing thousands of local optima and noise: multistart local optimizations using either sequential quadratic programming (SQP) as implemented in the design optimization tools (DOT) program or Snyman's dynamic search method, and a modified form of Jones' DIRECT global optimization algorithm. SQP is a local optimizer, while Snyman's algorithm is capable of moving through shallow local minima. The modified DIRECT algorithm is a global search method based on Lipschitzian optimization that locates small promising regions of design space and then uses a local optimizer to converge to the optimum. DOT and the dynamic search algorithms proved to be superior for finding a single optimum masked by noise of trigonometric form. The modified DIRECT algorithm was found to be better for locating the global optimum of functions with many widely separated true local optima.     

Boron triflouride etherate on alimina - a modified Lewis acid reagent. : An improved synthesis of cannabidiol

Boron trifluoride etherate on alumina catalyses the condensation of resorcinols an monomethyl resorcinols with several monoterpenoid allylic alcohols: in contrast to parallel reactions with boron trifluoride etherate in solution the products obtained do not undergo further cyclisations.