The iron phosphate K3Fe5(PO4)6

The crystal structure of tripotassium pentairon hexaphosphate has been determined by single‐crystal X‐ray diffraction. The structure contains one Fe atom on a center of symmetry, one K, two Fe and two P atoms on twofold axes, and one Fe, two P and one K atom in general positions. The K₃Fe₅(PO₄)₆ structure consists of a complex three‐dimensional framework of corner‐sharing between iron polyhedra, and corner‐ and edge‐sharing between PO₄ tetrahedra and iron polyhedra (FeO₅ and FeO₆). This linkage between iron and phosphorus forms intersecting channels containing the K atoms.     

Rewiring cellular metabolism for heterologous biosynthesis of Taxol

Abstract

Taxol is one of the anticancer drugs synthesized naturally in the evergreen Taxus brevifolia forest tree belonging to the yew family (Taxaceae) growing on the Pacific. There are reportedly evidence for treating ovarian, breast and lung cancers through this drug given its unique structural and functional features. Extraction of this drug from yew trees bark is one of the most common ways of producing this drug, but 3000 trees are needed to obtain a kilogram of Taxol. Hence, further attention has recently been attracted to the metabolic engineering strategies, including, engineering cellular metabolism of microorganisms and their optimization. Accordingly, the present paper article was aimed to review recent advances in elevating the production and commercialization of Taxol through metabolic engineering techniques.     

Chiral Chromium Salen@rGO as Multipurpose and Recyclable Heterogeneous Catalyst

The first immobilization of a pyrene-tagged chromium salen complex through π-π noncovalent interactions on reduced graphene oxide (rGO) is described. A very robust supported catalytic system is obtained to promote asymmetric catalysis in repeated cycles, without loss of activity or enantioselectivity. This specific behavior was demonstrated in two different catalytic reactions (up to ten reuses) promoted by chromium salen complexes, the cyclohexene oxide ring-opening reaction and the hetero-Diels-Alder cycloaddition between various aldehydes and Danishefsky's diene. Furthermore, the chiral chromium salen@rGO has been found to be compatible with a multi-substrate type use, in which the structure of the substrate involved is modified each time the catalyst is reused.     

Complexation and Transport of Alkali and Alkaline Earth Metal Cations by p-tert-Butyldihomooxacalix[4]arene Tetraketone Derivatives

The binding properties of three p-tert-butyldihomooxacalix[4]arene tetraketone derivatives (tert-butyl 2b, adamantyl 2c and phenyl 2d) in the cone conformation and one derivative (methyl 2a) in a partial cone conformation, towards alkali and alkaline earth metal cations have been established by extraction studies of metal picrates from water into dichloromethane, stability constant measurements in methanol and acetonitrile, and by ¹H NMR spectrometry. Transport experiments of metal picrates through a dichloromethane membrane were also performed. The results are compared to those obtained with closely-related calix[n]arene derivatives (n = 4 and 5) and discussed in terms of the substituents, size and conformational effects. Methylketone 2a is a poor binder for all the cations studied, due to its partial cone conformation. Ketones 2b, 2c and 2d show high extraction and complexation levels for the alkali cations, with similar profiles and preference for K⁺ and Na⁺ (plateau selectivity). Towards alkaline earth cations, these ketones show a strong peak selectivity for Ba²⁺ in extraction, but a plateau selectivity for Ca²⁺, Sr²⁺ and Ba²⁺ in complexation. The nature of the substituent attached to the ketone function has some influence on their binding properties, with phenylketone 2d being a slightly weaker binder than ketones 2b and 2c. ¹H NMR titrations confirm the formation of 1:1 complexes between the ketones and the cations studied, also indicating that they should be located inside the cavity defined by the phenoxy and carbonyl oxygen atoms. Ketones 2b, 2c and 2d show transport rates that do not follow, in general, the same trends observed in extraction and complexation.     

Experimental and theoretical investigations of the molecular structure,the spectroscopic properties and TD-DFT analysis of a new semiconductor hybrid based iron(III)

In this work, a new hybrid material (C₅H₆N₂Cl)₂[FeCl₄].Cl abbreviated (CAP)₂[FeCl₄].Cl was prepared using room temperature slow evaporation technique. The X-ray diffraction analysis revealed that the compound is crystallized in the centrosymmetric space group P2₁/c of the monoclinic system. The crystallographic network consists of an Fe(III) ion located on an inversion center and coordinated by four chlorine, isolated Cl^– and two (CAP)⁺ protonated cations linked by N–H...Cl and C–H...Cl hydrogen bonds to form a zero-dimensional network. Hirshfeld surface analysis was used to analyze intermolecular interactions present in the crystal structure. The vibrational properties were inspected by means of Infra-Red absorption and Raman diffusion spectroscopy techniques. In addition, theoretical calculations based on the DFT/B3LYP/LanL2DZ method and the time-dependent density functional theory (TD–DFT) were performed in order to gain more information and help in the examination of over-all properties of the title compound. Good and interesting experimental findings were presented and good consistency was found with the calculated results.     

Synthesis,crystal structure,Hirshfeld surface analysis,and vibrational and DFT investigation of [C<Subscript>6</Subscript>H<Subscript>10</Subscript>(NH<Subscript>3</Subscript>)<Subscript>2</Subscript>]<Subscript>3</Subscript>CuBr<Subscript>4</Subscript>.3Br

Single crystal of a new organic–inorganic hybrid material [C₆H₁₀(NH₃)₂]₃CuBr₄.3Br was synthesized by the slow evaporation method at room temperature and characterized by X-ray diffraction, FTIR, Raman spectroscopy, UV–Vis, dielectric measurements, and Hirschfield surface analysis. The title compound crystallizes in trigonal system \( P\overline{3} \).The crystal packing is governed by the N-H…Br and non-classical C-H…Br hydrogen-bonding interactions between the 1, 2-diamoniumcyclohexane cations, the tetrahedral [CuBr₄]^3? anions, and the isolated ion Br^?. Theoretical calculations were performed using density functional theory (DFT) for studying the molecular structure, vibrational spectra, and optical properties of the investigated molecule in the ground state. The optimized geometrical parameters obtained by DFT calculations are in good agreement with single crystal XRD data. The optical properties were investigated by optical absorption and show two bands at 260 and 305 nm.     

The removal of uranium(VI) from aqueous solutions onto activated carbon: kinetic and thermodynamic investigations

The adsorption of uranium(VI) from aqueous solutions onto activated carbon has been studied using a batch adsorber. The parameters that affect the uranium(VI) adsorption, such as contact time, solution pH, initial uranium(VI) concentration, and temperature, have been investigated and optimized conditions determined (contact time 240 min; pH 3.0+/-0.1; initial uranium concentration 100 mg/L; temperature 293.15 K). The experimental data were analyzed using sorption kinetic models (pseudo-first- and pseudo-second-order equations) to determine the equation that fits best our experimental results. Equilibrium isotherm studies were used to evaluate the maximum sorption capacity of activated carbon and experimental results showed this to be 28.30 mg/g. The Freundlich, Langmuir, and Dubinin-Radushkevich (D-R) models have been applied and the data correlate well with Freundlich model and that the sorption is physical in nature (the activation energy Ea=7.91 kJ/mol). Thermodynamic parameters (DeltaHads0=-50.53 kJ/mol, DeltaSads0=-98.76 J/mol K, DeltaGads(293.15 K)0=-21.61 kJ/mol) showed the exothermic heat of adsorption and the feasibility of the process.     

A Samarium "Soluble" Anode: A New Source of SmI(2) Reagent for Electrosynthetic Application

An electrochemical method to prepare solutions of samarium diiodide in THF is reported. The simple electrolysis of a samarium rod provides a rapid and straightforward in situ synthesis of SmI(2) . The electrogenerated complex catalyzes various C?C bond formations. The reagent is produced continuously and leads to efficient organic electrosynthesis with significantly smaller amounts of solvent than usually required.     

Characterization of crude and calcined phosphates of Kef Essennoun (Djebel Onk,Algeria)

Journal of Thermal Analysis and Calorimetry - Rock phosphate is the fundamental component for the manufacture of phosphoric acid and phosphate fertilizers. The aim of this study is to predict how...     

Interaction between p-tetraphenyl tetrahomodioxacalix[4]arene amide derivatives and alkali and alkaline-earth metal cations

The binding properties of four amido derivatives of p-tetraphenyl tetrahomodioxacalix[4]arene towards alkali and alkaline-earth metal cations using UV-absorption spectrophotometry, ¹H NMR and ESI-mass spectrometry techniques are reported.