FT-IR spectroscopic detection of pesticide after sorption onto modified pumice

Organoclays can be prepared by modification of the surface with a cationic surface active compound and used for the immobilisation or separation of non-polar contaminants from polluted waters. In this work pumice is used instead of clay material. Batch system experiments were performed for the modification of pumice surface with hexadecyltrimethylammonium bromide. Modification of pumice and then the sorption of pesticide, Fenvalerate, from water have been traced by FT-IR spectroscopy.     

New analytical expressions,symmetry relations and numerical solutions for the rotational overlap integrals

In this article, extremely simple analytical formulas are obtained for rotational overlap integrals which occur in integrals over two reduced rotation matrix elements. The analytical derivations are based on the properties of the Jacobi polynomials and beta functions. Numerical results and special values for rotational overlap integrals are obtained by using symmetry properties and recurrence relationships for reduced rotation matrix elements. The final results are of surprisingly simple structures and very useful for practical applications. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012     

Photopolymerized injectable RGD-modified fumarated poly(ethylene glycol) diglycidyl ether hydrogels for cell growth

In this study, photopolymerized hydrogels of fumarated poly(ethylene glycol) diglycidyl-co- poly(ethylene glycol) diacrylate have been synthesized and modified with cell adhesion peptide, Arg-Gly-Asp (RGD). The structural and mechanical properties of the hydrogels are found to be poly(ethylene glycol) diacrylate (PEGDA) dependent. The percentage of gelation is increased from 72 to 89 wt.-% when the amount of the crosslinker co-monomer (PEGDA) in the hydrogel formulation is increased from 20 to 40 wt.-%. In the present case, the equilibrium mass swelling is decreased from 216 to 93%. The viscosities of the uncured formulations have also been measured and likewise, the results were influenced by the increasing amount of PEGDA that reduced the value from 83 to 36 cP. The compressive modulus of the prepared hydrogels was improved with the addition of the PEGDA. Cell growth experiments have been performed by comparing the properties of the hydrogels with and without RGD units. The results show that RGD units enhance the adhesion of cells to the surface of the hydrogels. SEM-EDS studies reveal that nitrogen and calcium are produced on the osteoblast-seeded surface of the scaffold within the culture time period. [Figure: see text].     

Detection of Variation in Long-Term Micropropagated Mature Pistachio via DNA-Based Molecular Markers

Determination of genetic stability of in vitro-grown plantlets is needed for safe and large-scale production of mature trees. In this study, genetic variation of long-term micropropagated mature pistachio developed through direct shoot bud regeneration using apical buds (protocol A) and in vitro-derived leaves (protocol B) was assessed via DNA-based molecular markers. Randomly amplified polymorphic DNA (RAPD), inter-simple sequence repeat (ISSR), and amplified fragment length polymorphism (AFLP) were employed, and the obtained PIC values from RAPD (0.226), ISSR (0.220), and AFLP (0.241) showed that micropropagation of pistachio for different periods of time resulted in “reasonable polymorphism” among donor plant and its 18 clones. Mantel’s test showed a consistence polymorphism level between marker systems based on similarity matrices. In conclusion, this is the first study on occurrence of genetic variability in long-term micropropagated mature pistachio plantlets. The obtained results clearly indicated that different marker approaches used in this study are reliable for assessing tissue culture-induced variations in long-term cultured pistachio plantlets.     

On co-ordinated quasi-convex functions

A function f: I → ?, where I ? ? is an interval, is said to be a convex function on I if $$f(tx + (1 - t)y) \le tf(x) + (1 - t)f(y)$$ holds for all x, y ∈ I and t ∈ [0, 1]. There are several papers in the literature which discuss properties of convexity and contain integral inequalities. Furthermore, new classes of convex functions have been introduced in order to generalize the results and to obtain new estimations. We define some new classes of convex functions that we name quasi-convex, Jensenconvex, Wright-convex, Jensen-quasi-convex and Wright-quasi-convex functions on the coordinates. We also prove some inequalities of Hadamard-type as Dragomir’s results in Theorem 5, but now for Jensen-quasi-convex and Wright-quasi-convex functions. Finally, we give some inclusions which clarify the relationship between these new classes of functions.     

Thiosemicarbazide-Substituted Coumarins as Selective Inhibitors of the Tumor Associated Human Carbonic Anhydrases IX and XII

A novel series of thiosemicarbazide-substituted coumarins was synthesized and the inhibitory effects against four physiologically relevant carbonic anhydrase isoforms I, II, IX and XII showed selective activities on the tumor-associated IX and XII isozymes. Molecular modeling studies on selected compounds 14a and 22a were performed. The binding modes of such compounds were determined assuming their enzymatically active structures (i.e., cinnamic acid) in the thermodynamically favored, and not previously explored, E geometry. Molecular modelling suggests multiple interactions within the enzymatic cavity and may explain the high potency and selectivity reported for the hCAs IX and XII.     

A Divalent PAMAM‐Based Matrix Metalloproteinase/Carbonic Anhydrase Inhibitor for the Treatment of Dry Eye Syndrome

Synthetic sulfonamide derivatives are a class of potent matrix metalloproteinase inhibitors (MMPI) that have potential for the treatment of diseases related to uncontrolled expression of these enzymes. The lack of selectivity of the large majority of such inhibitors, leading to the inhibition of MMPs in tissues other than the targeted one, has dramatically reduced the therapeutic interest in MMPIs. The recent development of efficient drug delivery systems that allow the transportation of a selected drug to its site of action has opened the way to new perspectives in the use of MMPIs. Here, a PAMAM‐based divalent dendron with two sulfonamidic residues was synthesized. This nanomolar inhibitor binds to the catalytic domain of two MMPs as well as to the transmembrane human carbonic anhydrases (hCAs) XII, which is present in the eye and considered an antiglaucoma target. In the animal model of an experimental dry eye, no occurrence of dotted staining in eyes treated with our inhibitor was observed, indicating no symptoms of corneal desiccation.     

The examination of molecular structure properties of 4,4′-oxydiphthalonitrile compound: combined spectral and computational analysis approaches

The synthesis process, X-ray diffraction analysis of its single crystal form and the structural properties of the 4,4′-oxydiphthalonitrile compound by Fourier transform infrared, nuclear magnetic resonance and ultraviolet-visible spectral methods were reported in this study. Density functional theory studies of the compound were carried out by designed modeling with the Becke three-parameter hybrid functional combined with Lee-Yang-Parr correlation functional and 6-311G(d,p) basis set. Some molecular structure parameters obtained theoretically were compared with those obtained from the crystallographic analysis. Vibrational modes and wavenumbers with the aid of the potential energy distribution analysis, carbon and proton chemical shift values with diversified approaches and absorption wavelengths using Time-Dependent Density Functional and Conductor-Like Polarizable Continuum Model in different solvent media were examined theoretically. The compatibility of spectral and theoretical results was evaluated by examining the correlation coefficients. In addition, the frontier molecular orbitals energies, global reactivity parameters, molecular electrostatic potential map, the potential for non-linear optical material and some thermodynamic parameters at different temperature values of the 4,4'-oxydiphthalonitrile compound were investigated at the same theoretical level.     

The dependence on fractional orders of mild solutions to the fractional diffusion equation with memory

In this paper we investigate the Cauchy problem for a fractional diffusion equation and the time-fractional derivative is taken in the Caputo type sense. We give a representation of solutions under Fourier series and analyze initial value problems for the semi-linear fractional diffusion equation with a memory term. We also discuss the stability of the fractional derivative order for the time under some assumptions on the input data. Our key idea is to use Mittag-Leffler functions, the Banach fixed point theorem, and some Sobolev embeddings.     

Radiometric mapping and radiation dose assessments in sediments from Şavşat Black Lake,Turkey

Journal of Radioanalytical and Nuclear Chemistry - In this study, natural and artificial radioactivity concentrations in sediment samples taken from ?av?at Black Lake located on the...