Spectral, analytical, thermal, and antimicrobial studies of novel sodium 2-[4(2-hydroxy-3-izopropylaminopropoxy)phenyl]acetamide (atenolol) dithiocarbamate and its divalent transition metal complexes

Atenolol dithiocarbamate (ADTC) and its complexes with Cu(II), Co(II), Ni(II), Zn(II), and Cd(II) have been synthesized. These newly synthesized products have been characterized by elemental analyses (C, H, N, and S), thermal (thermogravimetry (TG) and differential thermal analyses (DTA)) as well as by spectral (UV, IR, and NMR (¹H)) studies. The stability constants (β) of metal complexes of ADTC have been determined by UV-Vis data in solutions in DMSO. The antimicrobial activities of the metal complexes have been screened in vitro against ten bacteria. The text was submitted by the authors in English.     

Invariant subspaces for Banach space operators with an annular spectral set

Consider an annulus for some , and let be a bounded invertible linear operator on a Banach space whose spectrum contains . Assume there exists a constant such that and for all polynomials . Then there exists a nontrivial common invariant subspace for and .

     

Heavy atom free singlet oxygen generation: doubly substituted configurations dominate S1 states of bis-BODIPYs

S(0), S(1), and T(1) states of various orthogonal 8,8' and 8,2'-bis-boradiaza-s-indacene (BODIPY) dyes, recently (Angew. Chem., Int. Ed.2011, 50, 11937) proposed as heavy atom free photosensitizers for O(2)((1)Δ(g)) generation, were studied by multireference quantum chemical approaches. S(0)→S(1) excitation characteristics of certain bis-BODIPYs are shown to be drastically different than the parent BODIPY chromophore. Whereas a simple HOMO→LUMO-type single substitution perfectly accounts for the BODIPY core, S(1) states of certain orthogonal bis-BODIPYs are described as linear combinations of doubly substituted (DS) configurations which overall yield four electrons in four singly occupied orbitals. Computed DS character of S(1), strongly correlated with facile (1)O(2) production, was presumed to occur via S(1)→T(1) intersystem crossing (ISC) of the sensitizer. Further confirmation of this relation was provided by newly synthesized BODIPY derivatives and comparison of spectroscopic properties of their dimers and monomers. Near-IR absorption, desired for potential photodynamic therapy applications, was not pursuable for bis-chromophores by the standard strategy of π-extension, as DS singlet states are destabilized. Decreased exchange coupling in π-extended cases appears to be responsible for this destabilization. Comparisons with iodine incorporated bis-BODIPYs suggest that the dynamics of (1)O(2) generation via DS S(1) states are qualitatively different from that via ISC originating from heavy atom spin-orbit coupling. Although red-shifting the absorption wavelength to enter the therapeutic window does not seem attainable for orthogonal bis-BODIPYs with DS S(1) states, modifications in the chromophore cores are shown to be promising in fine-tuning the excitation characteristics.     

Application of transversely isotropic materials to multi-layer shell elements undergoing finite rotations and large strains

The contribution deals with an extension of a classical Neo–Hookean model for compressible isotropic materials to transverse isotropy. With this enhancement for one preferred material direction there is a possibility to simulate large strains in volume changes of the isotropic basic continuum and supplementary in fiber direction. The integrity basis of polynomial invariants in case of transversely isotropic hyperelasticity consists of three principal invariants of the isotropic basic continuum and additionally of two principal invariants for the preferred material direction. The proposed stored energy function for transverse isotropy contains the classical theory near to the natural state and fulfills the restriction on polyconvexity and coerciveness.By numerical enforcement of the material model into shell kinematics without rotational variables a four-node isoparametric finite element is developed using special concepts to avoid locking. The capability of the algorithms proposed is demonstrated by a numerical example involving large strains as well as finite rotations.     

A Generic Platform for Upcycling Polystyrene to Aryl Ketones and Organosulfur Compounds

Polystyrene (PS) is one of the least recycled large-volume commodity plastics due to bulkiness of foam products and associated contaminants. PS recycling is also severely hampered by the lack of financial incentive, limited versatility, and poor selectivity of existing methods. To this end, herein we report a thermochemical recycling strategy of “degradation-upcycling” to synthesize a library of high-value aromatic chemicals from PS wastes with high versatility and selectivity. Two cascade reactions are selected to first degrade PS to benzene under mild temperatures, followed by the derivatization thereof utilizing a variety of acyl/alkyl and sulfinyl chloride additives. To demonstrate the versatility, nine ketones and sulfides of cosmetic and pharmaceutical relevance were prepared, including propiophenone, benzophenone, and diphenyl sulfide. The approach is also amenable to sophisticated upcycling reaction designs and can produce desired products stepwise. The facile and versatile approach will provide a scalable and profitable methodology for upcycling PS waste into value-added chemicals.