Retention of gallium ions from acidic solutions by pyridine strong‐base anion exchangers

Using the batch method, the retention of Ga(III) from HCl solutions by two gel‐type pyridine strong‐base anion exchangers containing 1‐methyl‐ or 1‐butyl‐4‐vinylpyridinium chloride structural units, called S₁ and S₂ resins, respectively, was studied. The influence of the HCl and Ga(III) concentrations as well as of the contact time between the resin and the liquid phase was investigated. The parameters, which characterize the retention process, were estimated using Langmuir and Freundlich isotherms. Both resins exhibited a higher affinity for gallium ions from a 6M HCl solution. According to Langmuir isotherms, maximum retention capacities of 44.44 and 60 mg Ga(III)/g dry resin for the S₁ and S₂ resins, respectively, were obtained. Freundlich isotherms provide additional proof for a higher affinity of the S₂ resin for Ga(III) from HCl solutions. It is clear that the substituent length increase on N⁺ atoms led to an increasing affinity of the pyridine strong base anion exchangers toward Ga(III). © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 86: 3440–3444, 2002     

Graphical simulation environments for modelling and simulation of integrative physiology

Guyton’s original integrative physiology model was a milestone in integrative physiology, combining significant physiological knowledge with an engineering perspective to develop a computational diagrammatic model. It is still used in research and teaching, with a small number of variants on the model also in circulation. However, though new research has added significantly to the knowledge represented by Guyton’s model, and significant advances have been made in computing and simulation software, an accepted common platform to integrate this new knowledge has not emerged. This paper discusses the issues in the selection of a suitable platform, together with a number of current possibilities, and suggests a graphical computing environment for modelling and simulation. By way of example, a validated version of Guyton’s 1992 model, implemented in the ubiquitous Simulink environment, is presented which provides a hierarchical representation amenable to extension and suitable for teaching and research uses. It is designed to appeal to the biomedical engineer and physiologist alike.     

Validation of a Method for Analysis of Aroma Compounds in Red Wine using Liquid–Liquid Extraction and GC–MS

An analytical method for determination of volatile composition of wines using sample preparation by liquid–liquid extraction and gas chromatography coupled to mass spectrometry for separation and detection has been developed and validated. Extraction of volatile compounds was performed in dichloromethane, and 1-octanol was added as an internal standard. Kékfrankos red wine produced in Villány wine region in Hungary was used as a model wine for testing and validation of the method. The developed method allowed satisfactory determination of 33 volatile compounds in the wines. Compounds analyzed include alcohols, esters, lactones, fatty acids, furans, and nitrogen compounds. The calibration curves of the four reference compounds used (2-phenyl ethanol, ethyl nonanoate, butyrolactone, and tyrosol) were linear in all cases with correlation coefficients (R ²) ranging from 0.9951 to 0.9992. The accuracy of the method was checked with a standard addition method (recovery 92.2–103 %), showing good repeatability and reproducibility (RSD?<?10 %).     

Identification of polyphenolic compounds in red and white grape varieties grown in R. Macedonia and changes of their content during ripening

The composition of polyphenols in the skin, seed and pulp extracts of the grapes of Vranec and Smederevka varieties, and Merlot and Chardonnay as well, was analyzed by liquid chromatography-diode array detection-mass spectrometry (HPLC-DAD-MS) and MS/MS techniques. Thirty-one phenolic compounds, including anthocyanins, flavonols and flavan-3-ols, as well as phenolic acids derivatives, have been identified in the extracts prepared from the grapes at physiological maturity, by mass spectrometry applying electrospray ionization operated in alternating ion mode and by performing tandem MS experiments in the ion trap mass analyzer. Grapes were analyzed at three different phases: (i) veraison, (ii) physiological ripeness and (iii) late harvest, in order to follow the evolution of polyphenolic content during berry development, applying spectrophotometric methods. Vranec had a higher polyphenolic content compared to Merlot due to the higher levels of total phenolics and flavonoids in the skins and seeds as well as a higher content of flavan-3-ols and anthocyanins in the skins, allowing discriminating the varieties. HPLC-DAD-MS analysis presented significantly higher relative amounts of anthocyanin monoglucosides and p-coumaroylglucosides in Vranec grapes. Smederevka seeds had a higher amount of flavan-3-ols than Chardonnay, while a higher content of total phenolics and flavonoids was found in the skins of the Chardonnay variety. Anthocyanin content in both red varieties increased during the berry ripening, while flavan-3-ols in seeds were mainly accumulated in the veraison phase followed by decrease of the content with ripening.     

A decade of sulphite control in Serbian meat industry and the effect of HACCP

In total 7351 meat preparations and fresh processed meat products were analysed from 555 different Serbian meat producers over a 10-year period, 4.5 years before and 5.5 years after mandatory Hazard Analysis and Critical Control Points (HACCP) implementation. From the obtained results, it could be concluded that HACCP has contributed to a better alignment of practices with the legal provisions. The share of non-compliant samples dropped from 18.6% before HACCP to 8.3% after its mandatory implementation. Average sulphite concentrations for all categories of meat preparations and fresh processed meat products decreased by 43%, declining from 33.6 to 19.3 mg kg^?1. Typical misuse and frequent abuse of sulphites was independent of a season. Application of HACCP principles in the Serbian meat industry raised awareness about the misuse of sulphites and contributed to a better control, minimising exposure to sulphites.     

Novel Monocyclam Derivatives as HIV Entry Inhibitors: Design,Synthesis, Anti‐HIV Evaluation,and Their Interaction with the CXCR4 Co‐receptor

The CXCR4 receptor has been shown to interact with the human immunodeficiency virus (HIV) envelope glycoprotein gp120, leading to fusion of viral and cell membranes. Therefore, ligands that can attach to this receptor represent an important class of therapeutic agents against HIV, thus inhibiting the first step in the cycle of viral infection: the virus–cell entry/fusion. Herein we describe the in silico design, synthesis, and biological evaluation of novel monocyclam derivatives as HIV entry inhibitors. In vitro activity testing of these compounds in cell cultures against HIV strains revealed EC₅₀ values in the low micromolar range without cytotoxicity at the concentrations tested. Docking and molecular dynamics simulations were performed to predict the binding interactions between CXCR4 and the novel monocyclam derivatives. A binding mode of these compounds is proposed which is consistent with the main existing site‐directed mutagenesis data on the CXCR4 co‐receptor. Moreover, molecular modeling comparisons were performed between these novel monocyclams, previously reported non‐cyclam compounds from which the monocyclams are derived, and the well‐known AMD3100 bicyclam CXCR4 inhibitors. Our results suggest that these three structurally diverse CXCR4 inhibitors bind to overlapping but not identical amino acid residues in the transmembrane regions of the receptor.     

miRNome Profiling and Functional Analysis Reveal Involvement of hsa-miR-1246 in Colon Adenoma-Carcinoma Transition by Targeting AXIN2 and CFTR

Regulatory changes occurring early in colorectal cancer development remain poorly investigated. Since the majority of cases develop from polyps in the adenoma-carcinoma transition, a search of early molecular features, such as aberrations in miRNA expression occurring prior to cancer development, would enable identification of potentially causal, rather than consequential, candidates in the progression of polyp to cancer. In the current study, by employing small RNA-seq profiling of colon biopsy samples, we described differentially expressed miRNAs and their isoforms in the adenoma-carcinoma transition. Analysis of healthy-adenoma-carcinoma sequence in an independent validation group enabled us to identify early deregulated miRNAs including hsa-miR-1246 and hsa-miR-215-5p, the expressions of which are, respectively, gradually increasing and decreasing. Loss-of-function experiments revealed that inhibition of hsa-miR-1246 lead to reduced cell viability, colony formation, and migration rate, thereby indicating an oncogenic effect of this miRNA in vitro. Subsequent western blot and luciferase reporter assay provided evidence of hsa-miR-1246 being involved in the regulation of target AXIN2 and CFTR genes’ expression. To conclude, the present study revealed possible involvement of hsa-miR-1246 in early colorectal cancer development and regulation of tumor suppressors AXIN2 and CFTR.     

Novel Design of Neuropeptide-Based Drugs with β-Sheet Breaking Potential in Amyloid-Beta Cascade: Molecular and Structural Deciphers

Our work discusses the investigation of 75 peptide-based drugs with the potential ability to break the β-sheet structures of amyloid-beta peptides from senile plaques. Hence, this study offers a unique insight into the design of neuropeptide-based drugs with β-sheet breaker potential in the amyloid-beta cascade for Alzheimer’s disease (AD). We started with five peptides (¹⁵QKLVFF²⁰, ¹⁶KLVFF²⁰, ¹⁷LVFF²⁰, ¹⁶KLVF¹⁹ and ¹⁵QKLV¹⁸), to which 14 different organic acids were attached at the N-terminal. It was necessary to evaluate the physiochemical features of these sequences due to the biological correlation with our proposal. Hence, the preliminary analysis of different pharmacological features provided the necessary data to select the peptides with the best biocompatibility for administration purposes. Our approaches demonstrated that the peptides ¹⁷LVFF²⁰, NA-¹⁷LVFF²⁰, ¹⁶KLVF¹⁹ and NA-¹⁶KLVF¹⁹ (NA-nicotinic acid) have the ability to interfere with fibril formation and hence improve the neuro and cognitive functions. Moreover, the peptide conjugate NA-¹⁶KLVF¹⁹ possesses attractive pharmacological properties, demonstrated by in silico and in vitro studies. Tandem mass spectrometry showed no fragmentation for the spectra of ¹⁶KLVF¹⁹. Such important results suggest that under the action of protease, the peptide cleavage does not occur at all. Additionally, circular dichroism confirmed docking simulations and showed that NA-¹⁶KLVF¹⁹ may improve the β-sheet breaker mechanism, and thus the entanglement process of amyloid-beta peptides can be more effective.     

Synthesis of hybrid nanocomposites based on new triazeno copolymers and montmorillonite used for detecting metal ions

The modern synthesis of novel functional materials with improved properties includes that of hybrid nanocomposites composed of inorganic nanoparticles and organic derivatives, where controlling the molecular structure at atomic and macroscopic dimensions is a key factor, with a major effect on performance. An extension of this approach to the field of nanocomposites containing photopolymers with triazene groups attached on a methacrylic backbone could be of great interest in the future development of chemosensors and photoresists, among others. Photopolymer/clay nanocomposites were prepared by in situ free radical copolymerization of 1‐(phenyl)‐3‐(2‐methacryloyloxyethylcarbamoyloxyethyl)‐3‐methyltriazene‐1 or 1‐(p‐methoxyphenyl)‐3‐(2‐methacryloyloxyethylcarbamoyloxyethyl)‐3‐methyltriazene‐1 and vinyl acetate or styrene in solution and in the presence of 3 and 5 wt% of organically modified montmorillonite. The characterization of the nanocomposites and pure copolymers was achieved through ¹H NMR and Fourier transform infrared spectroscopy, gel permeation chromatography, thermogravimetric analysis, X‐ray diffraction, atomic force microscopy and fluorescence analysis. The morphologies and properties of the nanocomposites are dependent on the nature of the triazene, on the co‐monomer structure and on the organoclay content. Also, the fluorescence response of these nanocomposites towards certain metal ions (Fe³⁺, Cu²⁺, Hg²⁺, Ni²⁺) in dimethylformamide solution was investigated. The effect of uranyl ions on the fluorescence intensity of the nanocomposites in solution or as films could be exploited in the development of ‘turn‐off’ or ‘turn‐on’ chemosensors for this type of analyte. Triazeno copolymer/organophilic montmorillonite nanocomposites with exfoliated (not completely exfoliated) or exfoliated and intercalated structures exhibit distinct characteristics concerning their fluorescence behaviour, a higher sensing ability towards certain target compounds (Fe³⁺, UO₂²⁺) being evidenced for those incorporating 3 wt% organoclay in solution and as films. Copyright © 2010 Society of Chemical Industry