Synthesis,Enzyme Inhibition,and Molecular Docking Studies of Hydrazones from Dichlorophenylacetic Acids

A series of hydrazones 5a–i were synthesized by the condensation of hydrazides derived from dichlorophenylacetic acids with different aromatic aldehydes and ketones. Their structures were confirmed by spectroscopic data and elemental analysis. Hydrazones 5a–i were evaluated for α‐glucosidase and urease inhibition activities. Five compounds exhibited potent α‐glucosidase inhibitory potential with IC₅₀ values 8.5 ± 0.3, 22.2 ± 0.78, 32.9 ± 1.5, 34 ± 2.4, and 170.6 ± 7.5 μM, respectively, which are many times better than that of the standard inhibitor acarbose (IC₅₀ = 840 ± 1.73 μM). Furthermore, molecular docking study was performed to explore the binding mode in the active sites of α‐glucosidase and urease enzymes.     

Parallel synthesis of libraries of anodic and cathodic functionalized electrodeposition paints as immobilization matrix for amperometric biosensors

The integration of flexible anchoring groups bearing imidazolyl or pyridyl substituents into the structure of electrodeposition paints (EDP) is the basis for the parallel synthesis of a library containing 107 members of different cathodic and anodic EDPs with a high variation in polymer properties. The obtained EDPs were used as immobilization matrix for biosensor fabrication using glucose oxidase as a model enzyme. Amperometric glucose sensors based on the different EDPs showed a wide variation in their sensor characteristics with respect to the apparent Michaelis-Menten constant (KM(app)) representing the linear measuring range and the maximum current (Imax(app)). Based on these results first assumptions concerning the impact of different side chains in the EDP on the expected biosensor properties could be obtained allowing for an improved rational optimization of EDPs used as immobilization matrix in amperometric biosensors.     

Synthesis and antioxidant activity study of carbothioamide and their corresponding thiazole derivatives

A novel series of 5-(p-(prop-2-ynyloxy)phenyl)-3-aryl-4,5-dihydropyrazole-1-carbothioamides 2a-f and functionalized 2-(3-(aryl)-5-(4-(prop-2-ynyloxy)phenyl)-4,5-dihydropyrazol-1-yl)-4-(3-arylsydnone-4-yl)thiazoles 4a-l were synthesized. The newly synthesized compounds were elucidated by analytical and spectral analysis. From the single-crystal X-ray diffraction method, it was observed that 2d crystallizes in a monoclinic crystal system with P21/n space group. The compounds 2d crystallized with cell parameters a = 15.0614 (19) Å, b = 6.0805 (7) Å, c = 20.903 (7) Å, α = 114.136 (6)^o, β = 110.709 (14) ^o, γ = 96.553 (5) ^o, V = 1790.6 (4) ų, Z = 4. From the Hirshfeld surface computational method, the major intercontacts present in these molecules are H…H (31.6%), C…H (18.2%) and S…H (12.2%), respectively. The newly synthesized compounds were tested for their ability to bleach 2,2'-diphenyl-1-picrylhydrazyl (DPPH) radical using DPPH scavenging assay. Among the synthesized compounds carbothioamide compounds 2c (90.7%) and 2b (89.8%) exhibited good DPPH scavenging activity compared to the rest of the compounds. Most of the synthesized carbothioamide molecules ( 2a-f ) found to be potent compared to the thiazole derivatives ( 4a-l ).     

Semiautomated detection of cerebral microbleeds in magnetic resonance images

Cerebral microbleeds (CMBs) are increasingly being recognized as an important biomarker for neurovascular diseases. So far, all attempts to count and quantify them have relied on manual methods that are time-consuming and can be inconsistent. A technique is presented that semiautomatically identifies CMBs in susceptibility weighted images (SWI). This will both reduce the processing time and increase the consistency over manual methods. This technique relies on a statistical thresholding algorithm to identify hypointensities within the image. A support vector machine (SVM) supervised learning classifier is then used to separate true CMB from other marked hypointensities. The classifier relies on identifying features such as shape and signal intensity to identify true CMBs. The results from the automated section are then subject to manual review to remove false-positives. This technique is able to achieve a sensitivity of 81.7% compared with the gold standard of manual review and consensus by multiple reviewers. In subjects with many CMBs, this presents a faster alternative to current manual techniques at the cost of some lost sensitivity.     

Pharmaceutical physical form characterisation with fast (>200 °C min<Superscript>−1</Superscript>) DSC heating rates

Differential scanning calorimetry (DSC) has many applications during preformulation screening of new drug candidates, but definitive assignment of peaks to specific events in the sample is difficult without supplementary data from other techniques. To some extent these problems can be overcome by running multiple experiments at different heating rates. Typically 2 and 20 °C min⁻¹ are indicated. However, modern instruments are capable of achieving much faster heating rates (up to 750 °C commercially); with this extended range comes a new capacity for investigating the physical form of materials. Here, the use of fast DSC heating rates for materials characterisation is explored, focussing on determination of melting temperatures, glass formation and polymorph screening.     

Thermally stratified flow of hybrid nanofluids with radiative heat transport and slip mechanism: multiple solutions

Research on flow and heat transfer of hybrid nanofluids has gained great significance due to their efficient heat transfer capabilities.In fact,hybrid nanofluids are a novel type of fluid designed to enhance heat transfer rate and have a wide range of engineering and industrial applications.Motivated by this evolution,a theoretical analysis is performed to explore the flow and heat transport characteristics of Cu/Al₂O₃ hybrid nanofluids driven by a stretching/shrinking geometry.Further,this work focuses on the physical impacts of thermal stratification as well as thermal radiation during hybrid nanofluid flow in the presence of a velocity slip mechanism.The mathematical modelling incorporates the basic conservation laws and Boussinesq approximations.This formulation gives a system of governing partial differential equations which are later reduced into ordinary differential equations via dimensionless variables.An efficient numerical solver,known as bvp4c in MATLAB,is utilized to acquire multiple(upper and lower)numerical solutions in the case of shrinking flow.The computed results are presented in the form of flow and temperature fields.The most significant findings acquired from the current study suggest that multiple solutions exist only in the case of a shrinking surface until a critical/turning point.Moreover,solutions are unavailable beyond this turning point,indicating flow separation.It is found that the fluid temperature has been impressively enhanced by a higher nanoparticle volume fraction for both solutions.On the other hand,the outcomes disclose that the wall shear stress is reduced with higher magnetic field in the case of the second solution.The simulation outcomes are in excellent agreement with earlier research,with a relative error of less than 1%.     

Determination of free phenolic acids and antioxidant capacity of methanolic extracts obtained from leaves and flowers of camel thorn (Alhagi maurorum)

The present study comprises the determination of some phenolic acids from the leaves and flowers of Alhagi maurorum by HPLC-DAD, confirmed by LC-MS-APCI. The antioxidant properties and measurements of the total phenolic contents of the extracts were assessed by 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging and Folin-Ciocalteu methods, respectively. It was found that the leaf extract had higher antioxidant potential (83.5%) than the flower extract (72.3%). The antioxidant properties and total phenolic contents of the leaves were higher than those of the flowers.     

Computation of the Delta in Multidimensional Jump-Diffusion Setting with Applications to Stochastic Volatility Models

We study the robustness of options prices to model variation in a multidimensional jump-diffusion framework. In particular, we consider price dynamics in which small variations are modeled either by a Poisson random measure with infinite activity or by a Brownian motion. We consider both European and Exotic options and we study their deltas using two approaches: the Malliavin method and the Fourier method. We prove robustness of the deltas to model variation. We apply these results to the study of stochastic volatility models for the underlying and the corresponding options.     

Commuting Values of Generalized Derivations on Multilinear Polynomials

Let K be a commutative ring with unity, R a prime K-algebra of characteristic different from 2, U the right Utumi quotient ring of R, f(x ₁,…, x _n ) a noncentral multilinear polynomial over K, and G a nonzero generalized derivation of R. Denote f(R) the set of all evaluations of the polynomial f(x ₁,…, x _n ) in R. If [G(u)u, G(v)v] = 0, for any u, v ∈ f(R), we prove that there exists c ∈ U such that G(x) = cx, for all x ∈ R and one of the following holds: 1. f(x ₁,…, x _n )² is central valued on R;

2. R satisfies s ₄, the standard identity of degree 4.

     

Eigenvalues of the Laplacian and extrinsic geometry

We extend the results given by Colbois, Dryden and El Soufi on the relationships between the eigenvalues of the Laplacian and an extrinsic invariant called intersection index, in two directions. First, we replace this intersection index by invariants of the same nature which are stable under small perturbations. Second, we consider complex submanifolds of the complex projective space $\mathbb C P^N$ instead of submanifolds of $\mathbb R ^N$ and we obtain an eigenvalue upper bound depending only on the dimension of the submanifold which is sharp for the first non-zero eigenvalue.