Properties and processing of cork powder filled cellulose derivatives composites

This paper deals with the use of cork powder, a by‐product from cork industry, as a filler to reinforce hydroxypropyl cellulose (HPC) matrix. Several films were prepared using HPC, as a matrix, filled with different amounts of cork powder (average diameter < 50 μm) (0.0; 0.5; 1.0 and 10.0% w/w) and in the presence or not of 1,4‐diisocyanatobutane (BDI) (7.0% w/w). Before the elaboration of these films, the surface properties of cork powder as well as that of suberin (main component of cork) were determined by Inverse Gas Chromatography (IGC). The tensile properties of the solid films obtained were studied and, as expected, for the films with BDI but without cork powder, the Young's modulus and the tensile strength increased, while the elongation decreased. However with the filled films it seemed that the Young's modulus decreased and the elongation increased. The Scanning Electron Microscopy showed that the fractured plane of samples with cross‐linking agent and cork powder displayed some nucleation points (0.3 μm) which indicates a strongly bonded interface and which could be considered as a responsible for the high mechanical properties observed.     

Molecular Modeling Approaches Can Reveal the Molecular Interactions Established between a Biofilm and the Bioactive Compounds of the Essential Oil of Piper divaricatum

Molecular modeling approaches are used in a versatile way to investigate the properties of diverse organic and inorganic structures such as proteins, biomolecules, nanomaterials, functionalized nanoparticles, and membranes. However, more detailed studies are needed to understand the molecular nature of interactions established in gelatin biofilms impregnated with bioactive compounds. Because of this, we used computational methods to evaluate how the major compounds of Piper divaricatum essential oil can interact with the gelatin biofilm structure. For this, we used as inspiration the paper published, where various properties of the essential oil impregnated gelatin biofilm P. divaricatum are reported. After our computer simulations, we related our molecular observations to biofilm’s structural and mechanical properties. Our results suggest that the major compounds of the essential oil were able to interrupt intermolecular interactions between the chains of the biofilm matrix. However, the compounds also established interactions with the amino acid residues of these chains. Our molecular analyses also explain changes in the structural and mechanical properties of the essential oil-impregnated biofilm. These results can support the planning of functional packaging impregnated with bioactive compounds that can protect food against microorganisms harmful to human health.     

catena‐Poly­[fac‐tri­chloro­methyl­tin(IV)‐μ‐[meso‐1,2‐bis­(phenyl­sulfinyl)­ethane‐O:O′]]

In the title compound, [SnCl₃(CH₃)(C₆H₅SOCH₂)₂]_n, the octahedral Sn^IV centres are bridged by meso‐1,2‐bis­(phenyl­sulfinyl)­ethane ligands forming infinite chains along the [100] direction.     

Sequencing of tri- and tetraantennary N-glycans containing sialic acid by negative mode ESI QTOF tandem MS

Application of the negative mode electrospray ionization-quadrupole time-of-flight mass spectrometry (ESI QTOF) tandem MS for determination of substitution patterns by sialic acid and/or fucose and extention by additional LacNAc disaccharide units in single branches of multianternary N-glycans from biological samples is described. Fragmentation patterns which can be obtained by low energy collision-induced dissociation (CID) using the QTOF instrument include cleavage ions, diagnostic for determination of antennarity and for specific structural features of single antennae. Systematic fragmentation studies in the negative ion mode were focussed toward formation of the D diagnostic ion relevant for assignment of 3- and 6-antennae in complex N-glycans carrying three and four antennae in combination with epitope-relevant B- and C-type ions. For validation of this approach ESI QTOF fragmentation of the permethylated analogues was carried out in the positive ion mode. Using this strategy, products of in vitro glycosylation reactions were investigated in order to clarify some general aspects of N-glycan acceptor specificity during biosynthesis. Alpha1-3fucosylation using GDP-fucose along with a soluble form of the recombinant human alpha1-3fucosyltransferase VI was carried out on tri- and tetraantennary precursors to test structural requirements for formation of Le(x) versus sLe(x) motifs.     

Thermal conductivity of lightweight aggregate based on coal fly ash

The article presents the results of physical and chemical properties of lightweight aggregates (LWA) obtained by the thermal treatments of raw composition based on fly ash, supplied by electric plants from Serbia. The production process of LWA consists of raw material preparation, plastic shaping?Cextrusion, granulation, and thermal treatment at three temperatures: 1100, 1150, and 1200?°C. The final firing temperature (T?=?1150?°C) is chosen based on the mechanical and physical properties of the designed aggregates. The particle-size distribution of the LWAs is unimodal (d????16?mm) while the density value varies from 0.98 to 1.99?g/cm³. The water absorption values are determined by use of two methods: 24?h of soaking in cold water and 5?h of boiling. The thermal conductivity of unbound, fired LWA particles is determined by measuring the amount of axially transferred heat in the stationary state. The obtained value of the LWA thermal conductivity (???=?0.0872?W/mK, T?=?1150?°C) is suitable for the production of structural concrete blocks with improved thermal insulating properties. Because of their high-porosity and -compressive strength values, the designed LWA could be used instead of the conventional aggregates in the production of concrete blocks. Consequently, a real valorization of the waste material such as fly ash in Serbia was established.     

Determination of arsenic and antimony in seawater by voltammetric and chronopotentiometric stripping using a vibrated gold microwire electrode

The oxidation potentials of As⁰/As^III and Sb⁰/Sb^III on the gold electrode are very close to each other due to their similar chemistry. Arsenic concentration in seawater is low (10–20 nM), Sb occurring at ∼0.1 time that of As. Methods are shown here for the electroanalytical speciation of inorganic arsenic and inorganic antimony in seawater using a solid gold microwire electrode. Anodic stripping voltammetry (ASV) and chronopotentiometry (ASC) are used at pH ≤ 2 and pH 8, using a vibrating gold microwire electrode. Under vibrations, the diffusion layer size at a 5 μm diameter wire is 0.7 μm. The detection limits for the As^III and Sb^III are below 0.1 nM using 2 min and 10 min deposition times respectively. As^III and Sb^III can be determined in acidic conditions (after addition of hydrazine) or at neutral pH. In the latter case, oxidation of As⁰ to As^III was found to proceed through a transient As^III species. Adsorption of this species on the gold electrode at potentials where Sb^III diffused away is used for selective deposition of As^III. Addition of EDTA removes the interfering effect of manganese when analysing As^III. Imposition of a desorption step for Sb^III analysis is required. Total inorganic arsenic (iAs = As^V + As^III) can be determined without interference from Sb nor mono-methyl arsenious acid (MMA) at 1.6 < pH < 2 using E_dep = −1 V. Total inorganic antimony (iSb = Sb^V + Sb^III) is determined at pH 1 using E_dep = −1.8 V without interference by As.     

Determination of gamma-hydroxybutyric acid in human urine by capillary electrophoresis with indirect UV detection and confirmation with electrospray ionization ion-trap mass spectrometry

γ-Hydroxybutyric acid (GHB), a minor metabolite or precursor of γ-aminobutyric acid (GABA), acts as a neurotransmitter/neuromodulator via binding to GABA receptors and to specific presynaptic GHB receptors. Based upon the stimulatory effects, GHB is widely abused. Thus, there is great interest in monitoring GHB in body fluids and tissues. We have developed an assay for urinary GHB that is based upon liquid–liquid extraction and capillary zone electrophoresis (CZE) with indirect UV absorption detection. The background electrolyte is composed of 4 mM nicotinic acid (compound for indirect detection), 3 mM spermine (reversal of electroosmosis) and histidine (added to reach a pH of 6.2). Having a 50 μm I.D. capillary of 40 cm effective length, 1-octanesulfonic acid as internal standard, solute detection at 214 nm and a diluted urine with a conductivity of 2.4 mS/cm, GHB concentrations ≥2 μg/ml can be detected. Limit of detection (LOD) and limit of quantitation (LOQ) were determined to be dependent on urine concentration and varied between 2–24 and 5–60 μg/ml, respectively. Data obtained suggest that LOD and LOQ (both in μg/ml) can be estimated with the relationships 0.83 κ and 2.1 κ, respectively, where κ is the conductivity of the urine in mS/cm. The assay was successfully applied to urines collected after administration of 25 mg sodium GHB/kg body mass. Negative electrospray ionization ion-trap tandem mass spectrometry was used to confirm the presence of GHB in the urinary extract via selected reaction monitoring of the m/z 103.1→m/z 85.1 precursor–product ion transition. Independent of urine concentration, this approach meets the urinary cut-off level of 10 μg/ml that is required for recognition of the presence of exogenous GHB. Furthermore, data obtained with injection of plain or diluted urine indicate that CZE could be used to rapidly recognize GHB amounts (in μg/ml) that are ≥ 4 κ.     

Photomagnetism of a sym‐cis‐Dithiocyanato Iron(II) Complex with a Tetradentate N,N′‐Bis(2‐pyridylmethyl)1,2‐ethanediamine Ligand

A comprehensive study of the magnetic and photomagnetic behaviors of cis‐[Fe(picen)(NCS)₂] (picen=N,N′‐bis(2‐pyridylmethyl)1,2‐ethanediamine) was carried out. The spin‐equilibration was extremely slow in the vicinity of the thermal spin‐transition. When the cooling speed was slower than 0.1 K min^?1, this complex was characterized by an abrupt thermal spin‐transition at about 70 K. Measurement of the kinetics in the range 60–70 K was performed to approach the quasi‐static hysteresis loop. At low temperatures, the metastable HS state was quenched by a rapid freezing process and the critical T(TIESST) temperature, which was associated with the thermally induced excited spin‐state‐trapping (TIESST) effect, was measured. At 10 K, this complex also exhibited the well‐known light‐induced excited spin‐state‐trapping (LIESST) effect and the T(LIESST) temperature was determined. The kinetics of the metastable HS states, which were generated from the freezing effect and from the light‐induced excitation, was studied. Single‐crystal X‐ray diffraction as a function of speed‐cooling and light conditions at 30 K revealed the mechanism of the spin‐crossover in this complex as well as some direct relationships between its structural properties and its spin state. This spin‐crossover (SCO) material represents a fascinating example in which the metastability of the HS state is in close vicinity to the thermal spin‐transition region. Moreover, it is a beautiful example of a complex in which the metastable HS states can be generated, and then compared, either by the freezing effect or by the LIESST effect.