New Quantum Codes from Skew Constacyclic Codes Over a Class Of Non-Chain Rings Re,q

International Journal of Theoretical Physics - In this paper, for q = pm (p is prime) such that q ≡ 1 (mod e), we study skew constacyclic codes over a class of non-chain rings...     

Click chemistry-inspired design,synthesis, and molecular docking studies of biscoumarin derivatives using carbon-based acid catalyst

A green and eco-benign synthesis of biscoumarin derivatives using carbon sulfonic acid, a solid support catalyst has been described. The reaction involved a one-pot two-component reaction of 4-hydroxycoumarin and aldehyde using carbon sulfonic acid involving Knoevenegal-Michael condensation. A series of aromatic (bearing electron withdrawing and releasing group) and heteroaromatic aldehydes has been converted to biscoumarins with excellent isolated yields. The reaction is in compliance with green principles, that is, inexpensive catalyst, easy to prepare, nontoxic, easy handling, reusable up to five recycle runs, easy separation, short reaction time, no need of time consuming column purification, high yielding, and so on. The synthesized catalyst and biscoumarin derivatives were well characterized by spectral analysis. The molecular modeling studies showed that the designed molecular scaffolds (3a-j) showed outstanding interaction with methylenetetrahydrofolate reductase (MTHFR) and cytochrome P450 3A4 (CYP3A4) proteins. It was noticed that 3f (−17.55 kJ/mol) and 3d (−26.23 kJ/mol) showed the highest docking score against CYP3A4 and MTHFR proteins, respectively.     

Analysis of a ginger extract by high-performance liquid chromatography coupled to nuclear magnetic resonance spectroscopy using superheated deuterium oxide as the mobile phase

A methanolic extract of powdered ginger was separated on a Xterra RP 18 column using deuterium oxide as the eluent and a temperature gradient from 50 to 130 degrees C at 4 degrees C/min. On-line and off-line HPLC-NMR analysis yielded spectra for vanillin, dihydroferulic acid, zingerone and ferulic acid. The identification of dihydroferulic acid and zingerone were confirmed by mass spectroscopy.     

Design,synthesis, in silico and biological evaluation of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazine carboxamides

A series of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazinecarboxamide derivatives has been successfully designed and synthesized to evaluate their potential as carbonic anhydrase (CA) inhibitors. The inhibitory potential of synthesized compounds against human CAI and CAII was evaluated. Compounds 3a–n exhibited \(\hbox {IC}_{50}\) values between \(1.89{-}415.1\,\upmu \hbox {M}\) against CAI and \(0.62{-}66.9\,\upmu \hbox {M}\) against CAII. Compound 3g was the most active inhibitor, with an \(\hbox {IC}_{50}\) value of \(0.62\,\upmu \hbox {M}\) against CAII. Molecular docking studies of compound 3g with CAII showed this compound fits nicely in the active site of CAII and it interacts with the zinc ion (\(\hbox {Zn}^{2+}\)) along with three histidine residues in the active site. Molecular dynamics simulation studies of compound 3g complexed with CAII also showed essential interactions which were maintained up to 40 ns of simulation. In vivo sub-acute toxicity study using 3g (300 mg/kg) was found non-toxic in adult Wistar rats.     

The geometry and the analytic properties of isotropic multiresolution analysis

In this paper we investigate Isotropic Multiresolution Analysis (IMRA), isotropic refinable functions, and wavelets. The main results are the characterization of IMRAs in terms of the Lax–Wiener Theorem, and the characterization of isotropic refinable functions in terms of the support of their Fourier transform. As an immediate consequence of these results, there are no compactly supported (in the space domain) isotropic refinable functions in many dimensions. Next we study the approximation properties of IMRAs. Finally, we discuss the application of IMRA wavelets to 2D and 3D-texture segmentation in natural and biomedical images.     

Can a single-reference approach provide a balanced description of ground and excited states? A comparison of the completely renormalized equation-of-motion coupled-cluster method with multireference quasidegenerate perturbation theory near a conical intersection and along a photodissociation coordinate in ammonia

We calculated the two lowest electronically adiabatic potential energy surfaces of ammonia in the region of the conical intersection and at a sequence of geometries along which one of the N-H bonds is broken. We employed both a multireference (MR) method and a single-reference (SR) method. The MR calculations are based on multiconfiguration quasidegenerate perturbation theory (MC-QDPT) with a 6-311+G(3df,3pd) basis set. The SR calculations, carried out with the same basis, employ the completely renormalized equation-of-motion coupled-cluster method with singles and doubles, and a noniterative treatment of triples, denoted CR-EOMCCSD(T). At 91 geometries used for comparison, including geometries near a conical intersection, the surfaces agree to 7% on average.     

LC-MS–MS Determination of Pregabalin in Human Plasma

A rapid, sensitive and specific method to quantify pregabalin in human plasma using metaxalone as the internal standard is described. Sample preparation involved simple protein precipitation by using acetronitrile as solvent. The extract was analyzed by high-performance liquid chromatography coupled to electrospray tandem mass spectrometry (LC-MS–MS). Chromatography was performed isocratically on Thermo Hypurity C₁₈ 5 μm analytical column, (50 mm × 4.6 mm i.d.). The assay of pegabalin was linear calibration curve over the range 10.000–10000.000 ng mL⁻¹. The lower limit of quantification was 10.000 ng mL⁻¹ in plasma. The method was successfully applied to the bioequivalence study of pregabalin capsules (150.0 mg) administered as a single oral dose.

     

Wavelet based multiscale scheme for two-dimensional advection–dispersion equation

In this paper, wavelet based adaptive solver is developed for two dimensional advection dominating solute problem which generates sharp concentration front in the solution. In order to handle simultaneously smooth and shock-like behavior, the framework uses finite element discretization followed by wavelets for multiscale decomposition. Daubechies wavelet filter is incorporated to eliminate spurious oscillations at very high Peclet number. The developed solution is compared with the analytical solution to assess the accuracy and robustness. The advantages of the present method over the commonly used methods such as FDM and FEM for solving the problems which show non-physical oscillation in the numerical solution are demonstrated.     

Electroanalytical Sensor for Diabetic Foot Ulcer Monitoring with Integrated Electronics for Connected Health Application

L‐tyrosine is an amino acid, the concentration of which is found to be highly elevated in patients suffering from diabetic foot ulcer (DFU). The latter proves to be fatal when it turns out chronic and may lead to amputation. The conventional clinical diagnostic methods are costly and time consuming, in which case, the condition of patient(s) may deteriorate long before proper treatment commences. Herein, we report the development of smart band‐aid for real time monitoring of L‐tyrosine by employing enzymatic bio‐sensor using α‐MnO₂/tyrosinase. The smart band‐aid was further integrated with portable electronics capable of wireless data transmission to a personal digital assistant, and its tyrosine sensing performance was evaluated. Anodic current was found to vary linearly with the concentrations of L‐tyrosine in the range of 5 nM–500 μM. The developed sensor displayed a limit of detection and sensitivity of 0.71 nM and 0.67 μA/nM/mm² respectively, with a stability of 25 days. The developed sensor was validated using a commercial impedance analyzer. The impedance response was found to be consistent with the cyclic voltammogram obtained and demonstrated to be a linear function of tyrosine concentration. The developed sensing platform combines early diagnosis with connected health technologies, thus, fitting well into modern healthcare needs.