Flow injection analysis simulations and diffusion coefficient determination by stochastic and deterministic optimization methods

Stochastic and deterministic simulations of dispersion in cylindrical channels on the Poiseuille flow have been presented. The random walk (stochastic) and the uniform dispersion (deterministic) models have been used for computations of flow injection analysis responses. These methods coupled with the genetic algorithm and the Levenberg–Marquardt optimization methods, respectively, have been applied for determination of diffusion coefficients. The diffusion coefficients of fluorescein sodium, potassium hexacyanoferrate and potassium dichromate have been determined by means of the presented methods and FIA responses that are available in literature. The best-fit results agree with each other and with experimental data thus validating both presented approaches.     

Radionuclides and heavy metal concentrations as complementary tools for studying the impact of industrialization on the environment

The aim of the study was to determine whether using chemical and radiochemical analysis of lake sediments can highlight changes in the climate. Also it was studied whether human impact on the environment can be observed and to what extent such changes are in agreement with historical data. Samples of 16 cm thick sediment cores from the Smreczynski Staw Lake were collected and divided into 1 cm thick sub-samples. The samples were air dried and homogenized. The quantitative analysis of Fe, Mn, Zn, Cr, Cu, Ni, Cd, and Pb in the digested sediment samples was made by using atomic absorption spectrometry. Simultaneously, the radioactivity of ¹³⁷Cs using gamma spectrometry and ²¹⁰Pb_uns using alpha spectrometry, were measured for sediment layer dating. Results showed that iron concentration was in the range 0.3–over 1 % (w/w), and zinc 0.01–0.05 % (w/w). Lesser concentrations were found for copper 18.37–43.6 ppm, manganese 37.5–50.7 ppm, lead 146.1–432 ppm, chromium 12.3–37.4 ppm, nickel 3.1–10.8 ppm and cadmium 0.9–34.6 ppm. Changes in ¹³⁷Cs radioactivity was in the range of 89 ± 11 to 865 ± 62 (Bq kg^?1). Sediments composition can accurately reflect (in terms of time and to what extent) air pollution and natural geo-chemical processes in the environment. However, the choice of the analysed object is crucial in this respect. The Smreczynski Staw Lake, due to its location in the mountains and hydrological situation, proved to be very useful for providing undisturbed analytical samples.     

How to Obtain the Maximum Properties Flexibility of 3D Printed Ketoprofen Tablets Using Only One Drug-Loaded Filament?

The flexibility of dose and dosage forms makes 3D printing a very interesting tool for personalized medicine, with fused deposition modeling being the most promising and intensively developed method. In our research, we analyzed how various types of disintegrants and drug loading in poly(vinyl alcohol)-based filaments affect their mechanical properties and printability. We also assessed the effect of drug dosage and tablet spatial structure on the dissolution profiles. Given that the development of a method that allows the production of dosage forms with different properties from a single drug-loaded filament is desirable, we developed a method of printing ketoprofen tablets with different dose and dissolution profiles from a single feedstock filament. We optimized the filament preparation by hot-melt extrusion and characterized them. Then, we printed single, bi-, and tri-layer tablets varying with dose, infill density, internal structure, and composition. We analyzed the reproducibility of a spatial structure, phase, and degree of molecular order of ketoprofen in the tablets, and the dissolution profiles. We have printed tablets with immediate- and sustained-release characteristics using one drug-loaded filament, which demonstrates that a single filament can serve as a versatile source for the manufacturing of tablets exhibiting various release characteristics.     

Application of the TLC image analysis technique for the simultaneous quantitative determination of L-proline and L-lysine in dietary supplement

A simple and sensitive thin-layer chromatography (TLC) method coupled with an image analysis technique was developed for the simultaneous quantitative determination of L-proline and L-lysine in dietary supplement with good precision and accuracy. Separation was performed on silica gel plates using ethanol‒toluene (2:3, V/V) as the mobile phase. The visualization of chromatograms was based on iodine–azide reaction; therefore, pre-chromatographic derivatization reaction of amino acids with phenyl isothiocyanate was performed. Digital images of TLC plate chromatograms were converted into peak chromatograms, and quantitative analysis was conducted using TLSee software.

     

Assessment of the various ionization methods in the analysis of metal salen complexes by mass spectrometry

Metal salen complexes are one of the most frequently used catalysts in enantioselective organic synthesis. In the present work, we compare a series of ionization methods that can be used for the mass spectral analysis of two types of metalosalens: ionic complexes (abbreviated as Com⁺X^?) and neutral complexes (NCom). These methods include electron ionization and field desorption (FD) which can be applied to pure samples and atmospheric pressure ionization techniques: electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) which are suitable for solutions. We found that FD is a method of choice for recording molecular ions of the complexes containing even loosely bonded ligands. The results obtained using atmospheric pressure ionization methods show that the results depend mainly on the structure of metal salen complex and the ionization method. In ESI spectra, Com⁺ ions were observed, while in APCI and APPI spectra both Com⁺ and [Com + H]⁺ ions are observed in the ratio depending on the structure of the metal salen complex and the solvent used in the analysis. For complexes with tetrafluoroborate counterion, an elimination of BF₃ took place, and ions corresponding to complexes with fluoride counterion were observed. Experiments comparing the relative sensitivity of ESI, APCI and APPI (with and without a dopant) methods showed that for the majority of the studied complexes ESI is the most sensitive one; however, the sensitivity of APCI is usually less than two times lower and for some compounds is even higher than the sensitivity of ESI. Both methods show very high linearity of the calibration curve in a range of about 3 orders of magnitude of the sample concentration. Copyright © 2014 John Wiley & Sons, Ltd.     

Synthesis and Characterization of the (5′ → 5″)-Ester of Adenosine 5′-diphosphate with α-D-ribofuranose cyclic 1″,2″-phosphate: A NAD derivative produced during tRNA splicing

The synthesis and spectroscopic properties of the (5′ → 5″)-ester of adenosine 5′-diphosphate with ribofuranose cyclic 1″, 2″-phosphate 3 , a recently discovered metabolite produced during tRNA splicing, are reported.     

Finding the contour of a union of iso-oriented rectangies

Let R₁,…,R_m be rectangles on the plane with sides parallel to the coordinate axes. An algorithm is described for finding the contour of F = R₁ ∪ … ∪ R_m in $\text{O(m}\text{log}\text{m + p}\text{log}\text{(}\text{2m}{}^2\text{p}\text{))}$ time, where p is the number of edges in the contour. This is O(m²) in the general case, and O(m log m) when F is without holes (then p ≤ 8m ? 4); both of these performances are optimal.     

Ergodic Properties of the Quantum Geodesic Flow on Tori

We study ergodic averages for a class of pseudodifferential operators on the flatN-dimensional torus with respect to the Schrödinger evolution. The later can be consider a quantization of the geodesic flow on . We prove that, up to semi-classically negligible corrections, such ergodic averages are translationally invariant operators.Mathematics Subject Classifications (2000) 58J50, 58J40, 81S10.