Importance of the Correlation between Width and Length in the Shape Analysis of Nanorods: Use of a 2D Size Plot To Probe Such a Correlation

Analysis of nanoparticle size through a simple 2D plot is proposed in order to extract the correlation between length and width in a collection or a mixture of anisotropic particles. Compared to the usual statistics on the length associated with a second and independent statistical analysis of the width, this simple plot easily points out the various types of nanoparticles and their (an)isotropy. For each class of nano‐objects, the relationship between width and length (i.e., the strong or weak correlations between these two parameters) may suggest information concerning the nucleation/growth processes. It allows one to follow the effect on the shape and size distribution of physical or chemical processes such as simple ripening. Various electron microscopy pictures from the literature or from the authors′ own syntheses are used as examples to demonstrate the efficiency and simplicity of the proposed 2D plot combined with a multivariate analysis.     

A survey of dual-feasible and superadditive functions

Dual-feasible functions are valuable tools that can be used to compute both lower bounds for different combinatorial problems and valid inequalities for integer programs. Several families of functions have been used in the literature. Some of them were defined explicitly, and others not. One of the main objectives of this paper is to survey these functions, and to state results concerning their quality. We clearly identify dominant subsets of functions, i.e. those which may lead to better bounds or stronger cuts. We also describe different frameworks that can be used to create dual-feasible functions. With these frameworks, one can get a dominant function based on other ones. Two new families of dual-feasible functions obtained by applying these methods are proposed in this paper.     

The Synthesis,Characterization and DC Electrical Conductivity of Polypyrrole‐Zirconium Complex

Polypyrrole‐zirconium complex has been synthesized by reacting 2‐amino‐3,4‐dicyano‐5‐mercaptopyrrole with zirconium nitrate in absolute ethanol under reflux for 24 h. The product has been characterized by elemental analyses, FTIR spectroscopy, in addition to thermal analysis (TGA and DSC) and its solubility has been investigated. The DC electrical conductivity variation of polypyrrole‐zirconium complex has been studied in the temperature range 300–500 K after annealing for 24 h at 100°C and doping with I₂, FeCl₃ and CuCl₂ · H₂O for comparison. An attempt has been made to interpret the DC electrical conductivity behavior and thermal properties to chain length, dopant used, polymer structure and attached groups.     

Batch profiling calibration for robust NMR metabonomic data analysis

Metabonomic studies involve the analysis of large numbers of samples to identify significant changes in the metabolic fingerprints of biological systems, possibly with sufficient statistical power for analysis. While procedures related to sample preparation and spectral data acquisition generally include the use of independent sample batches, these might be sources of systematic variation whose effects should be removed to focus on phenotyping the relevant biological variability. In this work, we describe a grouped-batch profile (GBP) calibration strategy to adjust nuclear magnetic resonance (NMR) metabolomic data-sets for batch effects either introduced during NMR experiments or samples work-up. We show how this method can be applied to data calibration in the context of a large-scale NMR epidemiological study where quality control samples are available. We also illustrate the efficiency of a batch profile correction for NMR metabonomic investigation of cell extracts, where GBP can significantly improve the predictive power of multivariate statistical models for discriminant analysis of the cell infection status. The method is applicable to a broad range of NMR metabolomic/metabonomic cohort studies.     

Simple and Convenient Synthesis of 21‐Thioalkylether Derivatives of Methyl 16‐Prednisolone Carboxylates

The antedrug approach for corticosteroids has been described as a fundamentally sound approach for the development of safer anti‐inflammatory and anti‐asthmatic therapy. However, the derivatization of prednisolone and its congeners have been considered to be major pitfalls, because their syntheses are complicated by the presence of numerous carboxylate esters and hydroxyl functions in the steroid nucleus. A simple and direct synthesis of 21‐thioalkylether derivatives of methyl 16‐prednisolonecarboxylates is described. The 21‐mesylate of the methyl 16‐prednisolonecarboxylate and 9‐fluoro‐17‐dehydro methyl 16‐prednisolonecarboxylate were reacted with Na‐thioalkoxides to furnish the desired thioethers in good yields. A previously published method for the methanolysis of 16‐cyanoprednisolone to methylcarboxylate has been reexamined, and the conditions are explained clearly. The reaction conditions for all these reactions were critical.     

Inhibition effect of horehound (Marrubium vulgare L.) extract towards C38 steel corrosion in HCl solution

The corrosion inhibition properties of horehound (Marrubium vulgare L.) extract (HE) in 1 M hydrochloric acid medium was carried out using electrochemical methods (polarization curve and electrochemical impedance spectroscopy). Experiments were performed by concentration of the inhibitor and temperature effect. The results showed variation in inhibition performance of this plant extract. The Langmuir model was tested to describe the adsorption behavior of the inhibitor on the C38 steel surface. Some thermodynamic functions of dissolution processes were also determined.     

Synthesis of some new pyrimidine derivatives and evaluation of their anticancer and antibacterial activities

Starting from the reaction of ethyl cyanoacetate with thiourea and the appropriate aldehydes, a series of new pyrimidine derivatives were prepared. Ten selected pyrimidine derivatives were subjected to a screening system for the investigation of their antitumor potency against liver (HEPG2) cell line. The antitumor activity results indicated that most of the selected pyrimidine derivatives showed moderate growth inhibition activity against the tested cell line, but with varying intensities in comparison to the known anticancer drugs: 5-fluorouracil and doxorubicin. Some of the synthesized compounds were also tested for their antimicrobial activity against bacteria as well as fungal isolates.     

Three‐Dimensional Architectures Incorporating Stereoregular Donor–Acceptor Stacks

We report the synthesis of two [2]catenane‐containing struts that are composed of a tetracationic cyclophane (TC⁴⁺) encircling a 1,5‐dioxynaphthalene (DNP)‐based crown ether, which bears two terphenylene arms. The TC⁴⁺ rings comprise either 1) two bipyridinium (BIPY²⁺) units or 2) a BIPY²⁺ and a diazapyrenium (DAP²⁺) unit. These degenerate and nondegenerate catenanes were reacted in the presence of Cu(NO₃)₂?2.5 H₂O to yield Cu‐paddlewheel‐based MOF‐1050 and MOF‐1051. The solid‐state structures of these MOFs reveal that the metal clusters serve to join the heptaphenylene struts into grid‐like 2D networks. These 2D sheets are then held together by infinite donor–acceptor stacks involving the [2]catenanes to produce interpenetrated 3D architectures. As a consequence of the planar chirality associated with both the DNP and hydroquinone (HQ) units present in the crown ether, each catenane can exist as four stereoisomers. In the case of the nondegenerate (bistable) catenane, the situation is further complicated by the presence of translational isomers. Upon crystallization, however, only two of the four possible stereoisomers—namely, the enantiomeric RR and SS forms—are observed in the crystals. An additional element of co‐conformational selectivity is present in MOF‐1051 as a consequence of the substitution of one of the BIPY²⁺ units by a DAP²⁺ unit: only the translational isomer in which the DAP²⁺ unit is encircled by the crown ether is observed. The overall topologies of MOF‐1050 and MOF‐1051, and the selective formation of stereoisomers and translational isomers during the kinetically driven crystallization, provide evidence that weak noncovalent bonding interactions play a significant role in the assembly of these extended (super)structures.