Understanding the formation and evolution of ceria nanoparticles under hydrothermal conditions

Supercritical growth: The formation and evolution of ceria nanoparticles during hydrothermal synthesis was investigated by in?situ total scattering and powder diffraction. The nucleation of pristine crystalline ceria nanoparticles originated from previously unknown cerium dimer complexes. The nanoparticle growth was highly accelerated under supercritical conditions.     

Stress induced half-metallicity in surface defected germanium nanowires

Germanium nanowires (GeNWs) with single, double, quadruple and octuple surface dangling bonds (SDBs) are investigated using density-functional-theory calculations. We show that single SDB defected GeNWs remain semiconducting as their non-defected form while double or multiple SDB defects result in either semiconducting or metallic GeNWs, depending on the defect's locations on the surface. More importantly, we show that the electronic properties of surface defected GeNWs can also be fine-tuned by applying tensile and compressive strains. Upon the right loading, the surface defected GeNWs become half-metallic. In addition, we determine that the surface defected GeNWs can be classified into three classes: (1) GeNWs with zero magnetic moment, which are either metallic or semiconducting; (2) GeNWs with net magnetic moments equal to the number of SDBs, which are semiconducting with distinct spin-up and spin-down configurations; and (3) GeNWs with net magnetic moments significantly lower than the number of SDBs. We also find that only the defected GeNWs that fall under (3) are potentially half-metallic. Our results predict that half-metallic GeNWs can be obtained via engineering of the surface defects and the structures without the presence of impurity dopants.     

Exceptionally strong multiphoton-excited blue photoluminescence and lasing from ladder-type oligo(p-phenylene)s

We report the synthesis and investigation of multiphoton absorption properties of a novel series of diphenylamino-end-capped ladder-type oligo(p-phenylene)s which exhibit greatly enhanced and efficient multiphoton (from two- to five-photon) upconverted blue photoluminescence with which the record-high intrinsic three-photon absorption cross-section of 4.56 × 10(-76) cm(6) s(2) in the femtosecond regime has been obtained. Exceptionally efficient two- to five-photon-excited lasing in the blue region has also been demonstrated in which the highest two-photon-excited lasing efficiency of 0.34% has been achieved.     

Identification and Separation of Lead (II), Nickel (II), and Cobalt (II) on Silica Gel 60 F254 High-Performance Thin-Layer Chromatographic Plates with Mixed Aqueous Sodium Dodecyl Sulfate—Oxalic Acid Solvent System

JPC – Journal of Planar Chromatography – Modern TLC - The chromatographic separation of three metal cations was performed on high-performance thin-layer plates (silica gel 60F254) with...     

Combining weak affinity chromatography, NMR spectroscopy and molecular simulations in carbohydrate-lysozyme interaction studies

By examining the interactions between the protein hen egg-white lysozyme (HEWL) and commercially available and chemically synthesized carbohydrate ligands using a combination of weak affinity chromatography (WAC), NMR spectroscopy and molecular simulations, we report on new affinity data as well as a detailed binding model for the HEWL protein. The equilibrium dissociation constants of the ligands were obtained by WAC but also by NMR spectroscopy, which agreed well. The structures of two HEWL-disaccharide complexes in solution were deduced by NMR spectroscopy using (1)H saturation transfer difference (STD) effects and transferred (1)H,(1)H-NOESY experiments, relaxation-matrix calculations, molecular docking and molecular dynamics simulations. In solution the two disaccharides β-d-Galp-(1→4)-β-D-GlcpNAc-OMe and β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-OMe bind to the B and C sites of HEWL in a syn-conformation at the glycosidic linkage between the two sugar residues. Intermolecular hydrogen bonding and CH/π-interactions form the basis of the protein-ligand complexes in a way characteristic of carbohydrate-protein interactions. Molecular dynamics simulations with explicit water molecules of both the apo-form of the protein and a ligand-protein complex showed structural change compared to a crystal structure of the protein. The flexibility of HEWL as indicated by a residue-based root-mean-square deviation analysis indicated similarities overall, with some residue specific differences, inter alia, for Arg61 that is situated prior to a flexible loop. The Arg61 flexibility was notably larger in the ligand-complexed form of HEWL. N,N'-Diacetylchitobiose has previously been observed to bind to HEWL at the B and C sites in water solution based on (1)H NMR chemical shift changes in the protein whereas the disaccharide binds at either the B and C sites or the C and D sites in different crystal complexes. The present study thus highlights that protein-ligand complexes may vary notably between the solution and solid states, underscoring the importance of targeting the pertinent binding site(s) for inhibition of protein activity and the advantages of combining different techniques in a screening process.     

The preparation of primary mathematics teachers in Singapore: programs and outcomes from the TEDS-M study

This paper describes five aspects of primary mathematics teacher education in Singapore: (a) the teaching profession in Singapore, (b) the structure of pre-service teacher education programs offered by the National Institute of Education, (c) self-reports of Singapore future primary mathematics teachers about the opportunities to learn mathematics-related contents offered by these programs, based on the Teacher Education and Development Study in Mathematics (TEDS-M) survey, (d) the performance of these future teachers in mathematics content knowledge and mathematics pedagogical content knowledge assessed by the TEDS-M study, and (e) the relationships of opportunities to learn with this performance. The paper concludes with some suggestions about how to improve the quality of initial teacher preparation in the areas of recruitment and training.     

The effects of substituting Sn for Ni on the thermal and some other characteristics of NiTiSn shape memory alloys

Journal of Thermal Analysis and Calorimetry - In this study, the thermal stability and phase transformation of Ni50-xTi50Snx (x?=?0.5, 1.0, 1.5, 2.0, 2.5, 3.0, and 3.5 at%) SMAs have...     

Higher-order generalized convexity and duality in nondifferentiable multiobjective mathematical programming

In this paper, a class of generalized convexity is introduced and a unified higher-order dual model for nondifferentiable multiobjective programs is described, where every component of the objective function contains a term involving the support function of a compact convex set. Weak duality theorems are established under generalized convexity conditions. The well-known case of the support function in the form of square root of a positive semidefinite quadratic form and other special cases can be readily derived from our results.     

The mixed and multi model line balancing problem: a comparison

The balancing problem deals with the assignment of tasks to work stations. We can distinguish two approaches in the literature on the mixed model line balancing problem, that both transform this problem into a single model line balancing problem. These approaches use combined precedence diagrams and adjusted task processing times, respectively.An experiment was carried out to compare several heuristics based on the combined precedence diagram. A new optimisation method has been developed. The results indicate that the position of common tasks in the precedence diagram of the different models has a significant effect on both the CPU time and the unequal distribution of the total work content of single models among work stations. Moreover, good solutions with respect to the number of required stations go together with long CPU times. For several instances, we decreased the CPU times considerably without deteriorating the performance of the methods, by using a reversed combined precedence diagram.