Determination of beryllium in solid samples by flame atomic absorption spectrometry after preconcentration on activated carbon.

It is generally supposed that the preconcentration procedure is used for the determination of metal concentrations under the sensitivity of the measurement method. This study showed that preconcentration is also need for the beryllium (Be) concentration over the sensitivity of atomic absorption spectrometry. For this purpose, a simple and selective method for the determination of Be in solid samples is modified. The method is based on the preconcentration of the complexes of beryllium-acetylacetone plus morin, oxine, PAN and PAR on activated carbon at different pH values. The adsorbed beryllium was eluted with aqua regia and measured by flame atomic absorption spectrometry (FAAS). Recoveries of up to 85% were achieved. For removing chemical interferences and applying the method to Be determination in solid samples, the masking studies and reproducibility were examined. The detection limit was found to be 0.12 ng mL(-1). The relative sandard deviations (RSD) were found to be 8% for 60 mL of 10.0 ng mL(-1) using 10 replicate enrichment procedures. Beryllium concentrations in the studied solid samples were found in the range of 0.28 - 3.95 mg kg(-1).     

Intra- and intermolecular hydrogen bonding in 3-hydroxy- and 5-hydroxychromone

The crystal structures for 3-hydroxychromone and 5-hydroxychromone have been obtained. Both molecules exhibit intramolecular hydrogen bonding between the hydroxy group and the ketone oxygen atom. However, only the 3-hydroxy derivative contains hydrogen bonds between molecules. By comparing the current results with those obtained for the corresponding flavone derivatives, the effect of the B phenyl group on hydrogen bonding is inferred.     

MULTIPLIERS AND TENSOR PRODUCTS OF L（p, q） LORENTZ SPACES

Let G be a locally compact abelian group. The main purpose of this article is to find the space of multipliers from the Lorentz space L(p1, q1)(G) to L(p21,q21)(G). For this reason, the authors define the space Ap1,q1p2,q2(G), discuss its properties and prove that the space of multipliers from L(p1,q1)(G) to L(p21,q21)(G) is isometrically isomorphic to the dual of Ap1,q1p2q2(G).     

Preservation of bone collagen from the late Cretaceous period studied by immunological techniques and atomic force microscopy

Late Cretaceous avian bone tissues from Argentina demonstrate exceptional preservation. Skeletal elements are preserved in partial articulation and suspended in three dimensions in a medium-grained sandstone matrix, indicating unusual perimortem taphonomic conditions. Preservation extends to the microstructural and molecular levels. Bone tissues respond to collagenase digestion and histochemical stains. In situ immunohistochemistry localizes binding sites for avian collagen antibodies in fossil tissues. Immunohistochemical studies do not, however, guarantee the preservation of molecular integrity. A protein may retain sufficient antigenicity for antibody binding even though degradation may render it incapable of original function. Therefore, we have applied atomic force microscopy to address the integrity and functionality of retained organic structures. Collagen pull-off measurements not only support immunochemical evidence for collagen preservation for antibody recognition but also imply preservation of the whole molecular integrity. No appreciable differences in collagen pull-off properties were measured between fossil and extant bone samples under physiological conditions.     

Switchable polarisation-independent blue phase liquid crystal Fresnel lens based on phase-separated composite films

A simple method for fabricating a polarisation independent blue-phase liquid crystal Fresnel lens (BPLCFL) is demonstrated by utilising the photo-polymerisation-induced phase separation. The BPLC/polymer binary Fresnel zones is obtained well by periodic UV illumination with phase separation of the BPLC molecules and UV-curable pre-polymer mixture. The diffraction efficiency can be controlled when applying a uniform electric field which modulates the phase difference between even and odd Fresnel zones. Experimental results show that the maximum diffraction efficiency reaches 24.3%, which is close to the measured diffraction efficiency of the used Fresnel zone-plate mask of 25%. We also characterise the tunable lens performance at different applied voltages.     

Synthesis,photopolymerization, and adhesive properties of hydrolytically stable phosphonic acid‐containing (meth)acrylamides

Three novel dental monomers containing phosphonic acid groups ( 1a and 2a , based on diethyl amino(phenyl)methylphosphonate and 3a based on diethyl 1‐aminoheptylphosphonate) were synthesized in two steps: the reaction of α‐aminophosphonates with acryloyl chloride (for monomers 1a and 3a ) or methacryloyl chloride (for 2a ) to give monomers with phosphonate groups, and the hydrolysis of phosphonate groups by using trimethyl silylbromide. Their (and the intermediates') structures were confirmed by FTIR, ¹H, ¹³C, and ³¹P NMR spectroscopy. All the monomers dissolve well in water (1<pH<2) and are hydrolytically stable. Their homo‐ and copolymerizations with 2‐hydroxyethyl methacrylate (HEMA) and HEMA/glycerol dimethacrylate were investigated with photo‐DSC. Thermal polymerization of the new monomers in water or in ethanol/water solution was investigated, giving polymers in good yields. X‐ray diffraction results showed only dicalcium phosphate dehydrate formation upon interaction of 1a ‐ 3a with hydroxyapatite indicating its strong decalcification and that monomer‐Ca salts are highly soluble. Some results were also compared to those with a bisphosphonic acid‐containing methacrylamide ( 4a ) previously reported; and the influence of monomer structure on polymerization/adhesive properties is discussed. These properties, especially hydrolytic stability and good rates of polymerization, make these new monomers suitable candidates as components of dental adhesive mixtures. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 511–522     

Fluorescence,Thermal, Electrochemical,and Morphological Properties of New Poly(Urethane-İmide)s: Synthesis and Characterization

New thermally stable poly(urethane-imide)s (PUIs) were synthesized to investigate aliphatic and aromatic group effects on various properties such as thermal stability and electrochemical properties. Thermal characterizations were carried out by TG-DTA and DSC techniques. TGA results showed that the PUIs derived from aromatic diisocyanates had relatively higher thermal stabilities as compared to the aliphatic diisocyanate. They have between 223–245°C onset temperature and above 37% char at 1000°C. Also, thermal degradation values show that PUIs have higher stability than conventional PU. DSC results showed that the new PUIs have Tg values between 134 and 138°C. Fluorescence measurements were performed using dimethyl sulfoxide solutions and also, the optimization of the concentrations maximal emission intensity was investigated in dimethyl sulfoxide. As a result, the remarkable properties related to the fluorescence and thermal measurements of the polymers were obtained. Therefore, these polymers could be used in various application fields because of the fluorescent and thermal properties.     

Theoretical investigations on nonlinear optical and spectroscopic properties of 6-(3,3,4,4,4-pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An efficient NLO material

In this study, quantum chemical calculations of geometric parameters, conformational, natural bond orbital (NBO) and nonlinear optical (NLO) properties, vibrational frequencies, ¹H and ¹³C NMR chemical shifts of the title molecule [C₉H₇F₅N₂O₃] in the ground state have been calculated with the help of Density Functional Theory (DFT-B3LYP/6-311++G(d,p)) and Hartree-Fock (HF/6-311++G(d,p)) methods. The optimized geometric parameters, vibrational frequencies, ¹H and ¹³C NMR chemical shifts values are compared with experimental values of the investigated molecules. Comparison between experimental and theoretical results showed that B3LYP/6-311++G(d,p) method is able to provide more satisfactory results. In order to understand this phenomenon in the context of molecular orbital picture, we examined the molecular frontier orbital energies (HOMO, HOMO-1, LUMO, and LUMO + 1), the energy difference (ΔE) between E _HOMO and E _LUMO, electronegativity (χ), hardness (η), softness (S) calculated by HF/6-311++G(d,p) and B3LYP/6-311++G(d,p) levels. The molecular surfaces, Mulliken, NBO, and Atomic polar tensor (APT) charges of the investigated molecule have also been calculated by using the same methods.     

Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations

The molecular geometry, the normal mode frequencies and corresponding vibrational assignment of melaminium phthalate (C₃H₇N₆⁺·C₈H₅O₄⁻) in the ground state were performed by HF and B3LYP levels of theory using the 6-31G(d) basis set. The optimized bond length numbers with bond angles are in good agreement with the X-ray data. The vibrational spectra of melaminium phthalate which is calculated by HF and B3LYP methods, reproduces vibrational wave numbers with an accuracy which allows reliable vibrational assignments. The title compound has been studied in the 4000–100 cm⁻¹ region where the theoretical evaluation and assignment of all observed bands were made.