A Domain Decomposition Method for Frictional Contact Problem

The bilateral or unilateral contact problem with Coulomb friction between two elastic bodies is considered [1]. An algorithm is introduced to solve the resulting finite element system by a non‐overlapping domain decomposition method. The global problem is transformed to a smaller problem on the contact surface. The solution is obtained by using a successive approximation method, in each step of this algorithm we solve two intermediate problems the first with prescribed tangential pressure and the second with prescribed normal pressure.     

On the Blow-up Criterion of 3D-NSE in Sobolev–Gevrey Spaces

In Benameur (Methods Appl 103:87–97, 2014), Benameur proved a blow-up result of the non regular solution of (NSE) in the Sobolev–Gevrey spaces. In this paper we improve this result, precisely we give an exponential type explosion in Sobolev–Gevrey spaces with less regularity on the initial condition. Fourier analysis and standard techniques are used.     

(Benzyl isocyanide)gold(I) pyrimidine‐2‐thiolate complex: Synthesis and biological activity

The reaction of [(Me₂S)AuCl] with an equimolar amount of benzyl isocyanide (PhCH₂NC) ligand led to the formation of complex [(PhCH₂NC)AuCl] ( 1 ). The solid‐state structure of 1 was determined using the X‐ray diffraction method. Through a salt metathesis reaction, the chloride ligand in 1 was replaced by pyrimidine‐2‐thiolate (SpyN^?) to afford the complex [(PhCH₂NC)Au(η¹‐S‐Spy)] ( 2 ), which was characterized spectroscopically. The cytotoxic activities of 1 and 2 were evaluated against three human cancer cell lines: ovarian carcinoma (SKOV3), lung carcinoma (A549) and breast carcinoma (MCF‐7). Complex 2 showed higher cytotoxicity than cisplatin against SKOV3 and MCF‐7 cancer cell lines. It showed a strong anti‐proliferative activity with IC₅₀ of 7.80, 6.26 and 6.14 μM, compared with that measured for cisplatin which was 7.62, 12.36 and 11.47 μM, against A549, SKOV3 and MCF‐7 cell lines, respectively. The induction of cellular apoptosis by 2 was also studied on MCF‐7 cell line. Our results indicated that 2 could induce apoptosis in cancerous cells in a dose‐dependent manner.     

Discovering Intermetallics Through Synthesis,Computation, and Data-Driven Analysis

Intermetallics adopt an array of crystal structures, boast diverse chemical compositions, and possess exotic physical properties that have led to a wide range of applications from the biomedical to aerospace industries. Despite a long history of intermetallic synthesis and crystal structure analysis, identifying new intermetallic phases has remained challenging due to the prolonged nature of experimental phase space searching or the need for fortuitous discovery. In this Minireview, new approaches that build on the traditional methods for materials synthesis and characterization are discussed with a specific focus on realizing novel intermetallics. Indeed, advances in the computational modeling of solids using density functional theory in combination with structure prediction algorithms have led to new high-pressure phases, functional intermetallics, and aided experimental efforts. Furthermore, the advent of data-centered methodologies has provided new opportunities to rapidly predict crystal structures, physical properties, and the existence of unknown compounds. Describing the research results for each of these examples in depth while also highlighting the numerous opportunities to merge traditional intermetallic synthesis and characterization with computation and informatics provides insight that is essential to advance the discovery of metal-rich solids.     

From imidates to vinyl-1,2,4-triazoles: Synthesis,mechanistic aspects and first issues of their reactivity

The reaction of variously substituted acylimidates with hydrazine derivatives represents an efficient and easy to set synthetic entry towards 5-vinyl-1,2,4-triazole derivatives. The construction of the triazole ring allows the installation of variety of substituent combination at the N(1), C(3) and C(5) positions of the five-membered heterocycle in good to high yields. The method reveals selective towards 5-vinyl-1,2,4-triazoles avoiding the potential formation of seven- and five-membered side-products as supported by theoretical calculations and NMR experiments. First lines of Pd-catalyzed arylation of the vinyl fragment towards 5-styryl-1,2,4-triazoles and Cu-catalyzed arylation at the N(1) site are finally described.     

Fabrication and kinetic studies of a novel silver nanoparticles-glucose oxidase bioconjugate

In this study, a new effective, pH and thermally stable glucose oxidase (GOX)-silver nanoparticles (AgNPs) bioconjugate was designed. AgNPs were synthesized based on the reduction of silver nitrate (AgNO₃) by sodium borohydride (NaBH₄) using two simple procedures. Periodic acid was used for oxidation of the GOX and emission of Lucifer yellow (LyCH) was monitored by spectrofluorometer for evaluation of the oxidation properties of the GOX. The oxidized GOX (Ox-GOX) was immobilized on AgNPs by its sugar moieties via 6-aminohexanoic acid (6AHA) as linker. A sample of the synthesized bioconjugate was loaded on 7.5% non-denaturing polyacrylamide gel electrophoresis (PAGE) to confirm its structural and physical stability. The results from enzymatic activity assay showed that the bioconjugate, GOX and Ox-GOX were similar in stability and activity in acidic and basic pH (optimum pH = 7.0-8.0). Based on the results from thermal stability assay, it was found that the activity of the bioconjugate was found to be higher at lower temperatures. The V_max of the bioconjugate, GOX, and Ox-GOX was estimated as 28.6, 6.2, and 6 IU μg⁻¹ enzyme and the K_m was calculated as 2.7, 9, and 9.5 mM, respectively. It was found that the immobilization method improves the activity and stability of the GOX in different pH and temperatures. As a conclusion, the proposed method opens up the way to the development of a new bioconjugate with potential use in sensing, and many find potential applications in clinical diagnostics, medicine, and industries.     

Widening basins of attraction of optimal iterative methods

In this work, we analyze the dynamical behavior on quadratic polynomials of a class of derivative-free optimal parametric iterative methods, designed by Khattri and Steihaug. By using their parameter as an accelerator, we develop different methods with memory of orders three, six and twelve, without adding new functional evaluations. Then a dynamical approach is made, comparing each of the proposed methods with the original ones without memory, with the following empiric conclusion: Basins of attraction of iterative schemes with memory are wider and the behavior is more stable. This has been numerically checked by estimating the solution of a practical problem, as the friction factor of a pipe and also of other nonlinear academic problems.