Synthesis of biosourced polyether-amides from 1,4-3,6-dianhydrohexitols: Characterization by NMR and MALDI–ToF mass spectrometry

New series of polyether-amides were prepared by polycondensation in solution of three diamines based on 1,4-3,6-dianhydrohexitols with two types of diacyl chlorides (sebacoyl and isophtaloyl). Unprecedented diamines based on isomannide and isoidide were elaborated. The corresponding polyether-amides (PeA) were obtained with high yields. They were characterized by different analytical techniques (NMR, MALDI–ToF MS, DSC). The combination of MALDI–ToF MS with NMR spectroscopy allowed us to confirm structure types. DSC measurements revealed an amorphous character for the isophtaloyl family with a high T_g value. The sebacoyl series proved to be semi-crystalline with a high T_m value. Isosorbide-based PeAs demonstrated interesting properties (T_g above 210 °C and T_m above 240 °C) and high viscosity (0.32).     

Novel Photochemical Synthesis of Spiro-1,2,6,8,9 Pentaza-4-thia(4,4)nonane via Rearrangement of Aliphatic Arylazo Compounds

Irradiation of N-phenyl-2-phenylazo-3-oxo-3-[(4-phenyl-5-aryl)-1,2,4-triazol-3-yl)thio]butanamides 4 _a–c gave the corresponding title spiro compounds 5 _a–c as end products via tandem rearrangement and cyclization of 4 _a–c in their excited states.     

Existence Results for Certain Multi-Orders Impulsive Fractional Boundary Value Problem

We derive in this paper some new existence and uniqueness results for a nonlinear multi-orders impulsive differential equation subject to fractional multi-point fractional integral boundary conditions. The obtained results are based on the Banach’s contraction theorem as well as Schauder fixed point theorem. Finally, two illustrative examples are given.     

Spectroscopic and Molecular Modeling Based Approaches to Study on the Binding Behavior of DNA with a Copper (II) Complex

Blocking the division of tumor cells by small-molecules is currently of great interest for the design of new antitumor drugs. The interaction of a new metal complex with DNA was investigated through several techniques. Absorption spectroscopy and gel electrophoresis studies on the interaction of the Cu-complex of (2a-4mpyH)₂ [Cu(pyzdc)₂ (H₂O)₂].6 H₂O with DNA have shown that this complex can bind to CT-DNA with binding constant 3.99?×?10⁵ M^?1. The cyclic voltammetry (CV) responses of the metal complex in the presence of CT-DNA have shown that the metal complex can bind to CT-DNA through partial intercalation mode and this is consistent with molecular docking analysis, quenching process and thermal denaturation experiments. The cytotoxicity of this complex has been evaluated by MTT assay. The results of cell viability assay on DU145 cell line revealed that the metal complex had cytotoxic effects.     

Micelle directed synthesis of (C19H42N)4H3(PW11O39) nanoparticles and their catalytic efficiency for oxidative degradation of azo dye

The nanoparticles of monovacant lacunary keggin-type polyoxometalate (C₁₉H₄₂N)₄H₃(PW₁₁O₃₉) has been successfully synthesized by Micelle Directed Method using hexadecyltrimthyl ammonium bromide (CTAB) as a template. Non-ionic copolymer Pluronic F127 was used as a capping agent that helps in formation of nanoparticles by preventing the aggregation during the coating of H₃(PW₁₁O₃₉)^4- onto the counter ion (C₁₉H₄₂N)⁺. The synthesized material was characterized by Scanning electron microscope (SEM), TGA, DSC and FT-IR techniques. SEM images indicated that (C₁₉H₄₂N)₄H₃(PW₁₁O₃₉) nanoparticles possess spherical structure. FTIR results revealed that the structural integrity of monovacant lacunary keggin-type polyoxometalates (POM) was not affected when reducing the size. TGA–DSC results showed that the material was thermally stable (with 37 % weight loss) and POM encapsulates CTAB. The efficiency of synthesized material was checked by applying it as a catalyst for the oxidation of toxic mordant yellow dye i.e., potentially hazardous and non-biodegradable azo dye. The (C₁₉H₄₂N)₄H₃(PW₁₁O₃₉) nanoparticles gave 96 % dye degradation in 60 min at 60 °C temperature. Moreover, on recycling POM nanoparticles demonstrate 92 % oxidative degradation of mordant yellow dye.     

Binding Interaction of Captopril with Metal Ions: A Fluorescence Quenching Study

The binding interaction of captopril (CPL) with biologically active metal ions Mg²⁺, Ca²⁺, Mn²⁺, Co²⁺, Ni²⁺, Cu²⁺ and Zn²⁺ was investigated in an aqueous acidic medium by fluorescence spectroscopy. The experimental results showed that the metal ions quenched the intrinsic fluorescence of CPL by forming CPL‐metal complexes. It was found that static quenching was the main reason for the fluorescence quenching. The quenching constant in the case of Cu²⁺ was highest among all quenchers, perhaps due to its high nuclear charge and small size. Quenching of CPL by metal ions follows the order Cu²⁺>Ni²⁺>Co²⁺>Ca²⁺>Zn²⁺>Mn²⁺>Mg²⁺. The quenching constant K_sv, bimolecular quenching constant K_q, binding constant K and the binding sites "n" were determined together with their thermodynamic parameters at 27 and 37°C. The positive entropy change indicated the gain in configurational entropy as a result of chelation. The process of interaction was spontaneous and mainly ΔS‐driven.     

Improved two-way six-state protocol for quantum key distribution

A generalized version for a qubit based two-way quantum key distribution scheme was first proposed in the paper [Phys. Lett. A 358 (2006) 85] capitalizing on the six quantum states derived from three mutually unbiased bases. While boasting of a higher level of security, the protocol was not designed for ease of practical implementation. In this work, we propose modifications to the protocol, resulting not only in improved security but also in a more efficient and practical setup. We provide comparisons for calculated secure key rates for the protocols in noisy and lossy channels.     

Toxicity of Bioactive Molecule Andrographolide against Spodoptera litura Fab and Its Binding Potential with Detoxifying Enzyme Cytochrome P450

Spodoptera litura Fab. is a polyphagous pest causing damage to many agriculture crops leading to yield loss. Recurrent usage of synthetic pesticides to control this pest has resulted in resistance development. Plant-derived diterpenoid compound andrographolide was isolated from the leaves of Andrographis paniculata. It was analysed by gas chromatography-mass spectroscopy and quantified by HPLC. Nutritional indices and digestive enzymatic profile were evaluated. Third, fourth and fifth instar larvae were treated with different concentrations of andrographolide. At 3, 6 and 9 ppm-treated concentrations the larvae showed decreased RGR, RCR, ECI, ECD values with adverse increase in AD. The digestive enzymes were significantly inhibited when compared with control. Conspicuously, andrographolide showed pronounced mortality of S. litura by inhibition of enzyme secretion and intake of food. The binding ability of andrographolide with CYTP450 showed high affinity with low binding energy. Andrographolide has the potential to be exploited as a biocontrol agent against S. litura as an eco-friendly pesticide.     

Nitazoxanide and azithromycin for the early treatment of COVID-19: A multi-spectroscopic,biochemical and computational drug–drug interaction study

Herein, we present an experimental and theoretical drug–drug interaction study between nitazoxanide (NTZ) and azithromycin (AZT) in an aqueous solution. Interaction was studied by using UV/Vis, fluorescence, attenuated total reflectance-fourier transform infrared (ATR-FTIR), and circular dichroism (CD) spectroscopy, while molecular docking studies were performed to establish the interaction computationally. A bright yellow color was observed when the two drugs interacted, giving a hyperchromic band at 420 nm. The rate of absorbance was linearly increased by increasing drug concentrations and in a time-dependent manner. Stability of the interaction complex (i.e., NTZ: AZT) was measured at variable temperatures (25–80°C), pH (5.0–10.0) and ionic strength (0.05–2.0 M NaCl), and not only proved stable but also retained antimicrobial potential with reduced cellular toxicity. Mole ratio and Job's method of continuous variations were used to establish the binding stoichiometry and found to be 2:1. The calculated binding constant (k_b = 8,400 M⁻¹) and Gibb's free energy (ΔG° = −22.4 KJ/mol) also suggested an energetically favorable interaction. FTIR spectra of NTZ: AZT complex in comparison with two drugs alone revealed significant interaction which was nicely complemented by molecular docking studies. Interaction was also successfully demonstrated in presence of carrier protein HSA and by spiking the two drugs in real samples of human plasma and urine.