Microscale Thermophoresis and Molecular Modelling to Explore the Chelating Drug Transportation in the Milk to Infant

The microscale thermophoresis (MST) technique was utilized to investigate lactoferrin–drug interaction with the iron chelator, deferiprone, using label-free system. MST depends on the intrinsic fluorescence of one interacting partner. The results indicated a significant interaction between lactoferrin and deferiprone. The estimated binding constant for the lactoferrin–deferiprone interaction was 8.9 × 10⁻⁶ ± 1.6, SD, which is to be reported for the first time. Such significant binding between lactoferrin and deferiprone may indicate the potentiation of the drug secretion into a lactating mother’s milk. The technique showed a fast and simple approach to study protein–drug interaction while avoiding complicated labeling procedures. Moreover, the binding behavior of deferiprone within the binding sites of lactoferrin was investigated through molecular docking which reflected that deferiprone mediates strong hydrogen bonding with ARG121 and ASP297 in pocket 1 and forms H-bond and ionic interaction with ASN640 and ASP395, respectively, in pocket 2 of lactoferrin. Meanwhile, iron ions provide ionic interaction with deferiprone in both of the pockets. The molecular dynamic simulation further confirmed that the binding of deferiprone with lactoferrin brings conformational changes in lactoferrin that is more energetically stable. It also confirmed that deferiprone causes positive correlation motion in the interacting residues of both pockets, with strong negative correlation motion in the loop regions, and thus changes the dynamics of lactoferrin. The MM-GBSA based binding free energy calculation revealed that deferiprone exhibits ∆G TOTAL of −63,163 kcal/mol in pocket 1 and −63,073 kcal/mol in pocket 2 with complex receptor–ligand difference in pocket 1 and pocket 2 of −117.38 kcal/mol and −111.54 kcal/mol, respectively, which in turn suggests that deferiprone binds more strongly in the pocket 1. The free energy landscape of the lactoferrin–deferiprone complex also showed that this complex remains in a high energy state that confirms the strong binding of deferiprone with the lactoferrin. The current research concluded that iron-chelating drugs (deferiprone) can be transported from the mother to the infant in the milk because of the strong attachment with the lactoferrin active pockets.     

Dynamics of a multi-mode maximum entangled coherent state over an amplitude damping channel

The dynamics of the maximum entangled coherent state traveling through an amplitude damping channel is investigated. For small values of the transmissivity rate, the traveling state is very fragile to this noise channel, which suffers from the phase flip error with high probability. The entanglement decays smoothly for larger values of the transmissivity rate and speedily for smaller values of this rate. As the number of modes increases, the traveling state over this noise channel quickly loses its entanglement. The odd and even states vanish at the same value of field intensity.     

Phosphorus ozonides adducts

Abstract

Ozone reacts quantitatively on tricoordinated and dicoordinated Phosphorus Compounds. The oxidative addition of ozone on phosphites leads to pentacoordinated or hexacoordinated phosphorus adducts. These adducts are unstable in solution. The decomposition gives the corresponding phosphoric ester with singlet oxygen evolution. In the same conditions, ozone reacts on diphosphene and gives after double bond rupture an adduct: the metaphosphonate. The relative stabilities and oxidative properties are discussed.     

The Carbenic Insertion into the P-P Bond

Abstract

The cycloaddition reactions on Phosphorus Chemistry¹ has allowed a new development of the three membered ring organophosphorus compounds. Starting from functionulized diphosphiranes obtained by action of carbenes on diphosphenes, we have studied their ring opening reactions leading to carbon insertion into P-P bond.     

Electrochemical behavior of aluminum and some of its alloys in chloroaluminate ionic liquids: electrolytic extraction and electrorefining

The electrochemical behaviors of pure Al, Al–6%Si, Al–3%Cu, and Al–3.7%Cu–0.9%Mg–0.8%Pb–0.6%Fe alloys were investigated in the chloroaluminate ionic liquids 1-butyl-3-methylimidazolium chloride [BMIm]Cl/AlCl₃ (40/60 mol%) and 1-ethyl-3-methylimidazolium chloride [EMIm]Cl/AlCl₃ (40/60 mol%). Electrolytic extraction of copper from Al–Cu alloys in the employed ionic liquids was explored. The alloys were anodically dissolved in the ionic liquids and then pure copper was recovered under potentiostatic conditions. Due to the large difference between the deposition potentials of Cu and Al, pure Cu can be obtained without Al contamination. Electrorefining of Al–3%Cu and Al–6%Si alloys was also investigated in [BMIm]Cl/AlCl₃ (40/60 mol%) at room temperature. High purity aluminum deposits were obtained with significantly low energy consumption of about 2 kWh/kg of Al.     

New eco-friendly animal bone meal catalysts for preparation of chalcones and aza-michael adducts

ABSTRACT: Two efficient reactions were successfully carried out using Animal Bone Meal (ABM) and potassium fluoride or sodium nitrate doped ABMs as new heterogeneous catalysts under very mild conditions. After preparation and characterization of the catalysts, we first report their use in a simple and convenient synthesis of various chalcones by Claisen-Schmidt condensation and then in an aza-Michael addition involving several synthesized chalcones with aromatic amines. All the reactions were carried out at room temperature in methanol; the chalcone synthesis was also achieved in water environment under microwave irradiation. Doping ABM enhances the rate and yield at each reaction. Catalytic activities are discussed and the ability to re-use the ABM is demonstrated. RESULTS: For Claisen-Schmidt the use of ABM alone, yields never exceeded 17%. In each entry, KF/ABM and NaNO3/ABM (79-97%) gave higher yields than using ABM alone under thermic condition. Also the reaction proceeded under microwave irradiation in good yields (72-94% for KF/ABM and 81-97% for NaNO3/ABM) and high purity. For aza-Michael addition the use of ABM doped with KF or NaNO3 increased the catalytic activity remarkably. The very high yields could be noted (84-95% for KF/ABM and 81-94% for NaNO3/ABM). CONCLUSION: The present method is an efficient and selective procedure for the synthesis of chalcones anaaza-Michael adducts. The ABM and doped ABMs are a new, inexpensive and attractive solid supports which can contribute to the development of catalytic processes and reduced environmental problems.