Computational Design,Synthesis and Application of a New Selective Molecularly Imprinted Polymer for Electrochemical Detection

A computational approach was developed to find a suitable functional monomer to design a new molecularly imprinted polymer (MIP), based on which methacyrlic acid (MAA) was selected as a functional monomer to synthesize the molecular imprinted and non‐imprinted polymers. All calculations were carried out using Gaussian 03 software based on the application of Hartree?Fock (HF) method with 6‐31G (d) basis set. The performance of the MIPs prepared with different ratios of MAA was then evaluated using equilibrium rebinding assays. The MIP with the highest binding capacity was chosen as recognition material for the fabrication of new PVC sensors and their responses were compared with each other and with previously reported modifiers in literature. The addition of the ionic surfactant (TFPB) was found to have a synergistic effect on the response mechanism of the electrodes. The results of the MIP modified sensors show that they provide an improved electrode slope, wider pH range and a highly extended life time reaching 7 months compared to 2–4 weeks in case of traditional ion‐exchangers reported in literature, besides, being successfully applied for measurements in biological samples.     

Preparation of Pt/MWCNTs Catalyst by Taguchi Method for Electrooxidation of Nitrite

Abstract—The Pt nanoparticles-functionalized multiwall carbon nanotubes (f-MWCNTs) modified glassy carbon electrodes were used to study the electrooxidation of nitrite. Pt nanoparticles were electrodeposited on the f-MWCNTs modified glassy carbon (GC) electrode by applying a constant potential to the electrode for a specific time. By applying optimized conditions (using Minitab software), Pt/MWCNTs/GC electrode was prepared by immobilizing 40 μL of f-MWCNTs on the GC electrode and applying a potential of–0.20 V vs. Ag/AgCl for 120 s. The electrooxidation of nitrite was studied on the prepared electrode in 0.1 M KCl solution. The amperometric response of the prepared electrode linearly changes with the concentration of nitrite from 4.0 μM to 2.4 mM. The detection limit of the electrode was found to be 1.5 μM (S/N = 3) with a sensitivity of 28.7 μA/mM.     

Total Biosynthesis of Legionaminic Acid,a Bacterial Sialic Acid Analogue

Legionaminic acid, Leg5,7Ac₂, a nonulosonic acid like 5‐acetamido neuraminic acid (Neu5Ac, sialic acid), is found in cell surface glycoconjugates of bacteria including the pathogens Campylobacter jejuni, Acinetobacter baumanii and Legionella pneumophila. The presence of Leg5,7Ac₂ has been correlated with virulence in humans by mechanisms that likely involve subversion of the host's immune system or interactions with host cell surfaces due to its similarity to Neu5Ac. Investigation into its role in bacterial physiology and pathogenicity is limited as there are no effective sources of it. Herein, we construct a de novo Leg5,7Ac₂ biosynthetic pathway by combining multiple metabolic modules from three different microbial sources (Saccharomyces cerevisiae, C. jejuni, and L. pneumophila). Over‐expression of this de novo pathway in Escherichia coli that has been engineered to lack two native catabolic pathways, enables significant quantities of Leg5,7Ac₂ (≈120 mg L^?1 of culture broth) to be produced. Pure Leg5,7Ac₂ could be isolated and converted into CMP‐activated sugar for biochemical applications and a phenyl thioglycoside for chemical synthesis applications. This first total biosynthesis provides an essential source of Leg5,7Ac₂ enabling study of its role in prokaryotic and eukaryotic glycobiology.     

Low temperature pyrolysis of carboxymethylcellulose

Unlike the common high temperature pyrolysis of carboxymethylcellulose (CMC) targeting activated carbon, this study investigates the pyrolytic behaviour of plain CMC at low temperatures ranging between 260 and 300 °C. Preliminary experiments were conducted using differential scanning calorimetry to define the temperature range necessary for the process. Low-temperature pyrolysis was then simulated using thermogravimetric analysis under inert atmosphere. Investigations reveal that a minimum holding temperature of 260 °C is required for an isothermal process, at which pyrolysis is terminated after around 26 min. Increasing exposure temperature reduces pyrolysis time. Within the range of the investigated sample and CMC particle size, no significant effects could be measured regarding the decomposition behaviour. The resulting char was further analysed using X-ray diffraction and Fourier transform infrared spectroscopy. Visual inspection was conducted using scanning electron microscopy. Upon pyrolysis, originally longitudinally shaped CMC was found to be converted into spherical particles of functionalised amorphous carbon with an average particle size of 41 µm.     

Cytotoxic activity and molecular docking of a novel biflavonoid isolated from Jacaranda acutifolia (Bignoniaceae)

A novel biflavonoid [kaempferol (6→8″) apigenin] was isolated from the leaves of Jacaranda acutifolia. The structure was elucidated based on chemical evidence, 1D and 2D spectroscopic analyses as well as spectrometric techniques. The compound showed promising cytotoxic activity against breast cancer cell line MCF-7. The anticancer activity was explained via virtual docking of the isolated compound to the main sites in the human cyclin-dependent kinase2 (CDK2) crystal structure.     

Officinalioside,a new lignan glucoside from Borago officinalis L.

A new lignan glucoside, officinalioside (1), was isolated from n-BuOH fraction of the aerial parts of Borago officinalis L., together with four known compounds: actinidioionoside (2), roseoside (3), crotalionoside C (4) and kaempferol 3-O-β-D-galactopyranoside (5). The structure of the new compound was established by means of spectroscopic and chemical analyses. Compounds 1 and 2 showed a moderate DPPH radical scavenging activity (IC₅₀: 52.6 ± 1.70 and 41.3 ± 0.25 μM, respectively) comparable with that of the standard trolox (16.6 ± 2.2 μM) without any significant cytotoxicity towards human cell line A549 (IC₅₀ > 100 μM).     

Terrenolide S,a new antileishmanial butenolide from the endophytic fungus Aspergillus terreus

Terrenolide S, a new butenolide derivative (6), together with six known compounds: (22E,24R)-stigmasta-5,7,22-trien-3-β-ol (1), stigmast-4-ene-3-one (2), stigmasta-4,6,8(14),22-tetraen-3-one (3), terretonin A (4), terretonin (5) and butyrolactone VI (7) have been isolated from the endophytic fungus Aspergillus terreus isolated from the roots of Carthamus lanatus (Asteraceae). Their structures were established by extensive spectroscopic analyses (1D, 2D NMR and HRESIMS), as well as optical rotation measurement and comparison with literature data. Compound 1 displayed a potent activity towards methicillin-resistant Staphylococcus aureus (MRSA) and Cryptococcus neoformans with IC₅₀ values of 2.29 and 10.68 µM, respectively. Moreover, 1, 2 and 6 exhibited antileishmanial activity towards Leishmania donovani with IC₅₀ values of 11.24, 15.32 and 27.27 µM, respectively and IC₉₀ values of 14.68, 40.56 and 167.03 µM, respectively.     

On the best constant in a Wente‐type inequality for the fractional Laplace operator

In this paper, we consider the solution to Wente's problem with the fractional Laplace operator (?Δ)^α/2, where 0 < α < 2. We derive a Wente‐type inequality for this problem. Next, we compute the optimal constant in such inequality. Copyright © 2015 John Wiley & Sons, Ltd.     

An Optimal L∞–error Estimate for an Approximation of a Parabolic Variational Inequality

In this article, an optimal error estimate for parabolic variational inequalities is studied. Existence and uniqueness of the solution is provided by the introduction of a constructive algorithm. An optimally L^∞-asymptotic behavior in uniform norm is proved using the semi-implicit time scheme combined with the finite element spatial approximation. The approach is based on the concept of subsolutions.     

Quadratic differentials (A(z − a)(z − b)/(z − c)2) dz2 and algebraic Cauchy transform

We discuss the representability almost everywhere (a.e.) in C of an irreducible algebraic function as the Cauchy transform of a signed measure supported on a finite number of compact semi-analytic curves and a finite number of isolated points. This brings us to the study of trajectories of the particular family of quadratic differentials A(z ? a)(z ? b)×(z ? c)^?2 dz². More precisely, we give a necessary and sufficient condition on the complex numbers a and b for these quadratic differentials to have finite critical trajectories. We also discuss all possible configurations of critical graphs.