General model for precalculation of the retention indices of isoalkanes separated by gas or liquid chromatography

A general model consisting of two terms is proposed for precalculation of retention indices of isoalkanes separated by gas chromatography (GC) on a squalane column and by high-performance liquid chromatography (HPLC) on a column containing a bonded octadecyl phase. The first term (referred to as extensive) includes parameters which have the greatest correlation with the experimental value of the index; the second term (referred to as intenzive) includes parameters which can modify the value of the roughly calculated index in the direction of the experimental value. The equations derived have correlation coefficients better than 0.99. The maximum discrepancy between the experimental and calculated retention index for twenty C₆C₈ isoalcanes was less than ± 1 index unit in gas chromatography and less than 4 index units in HPLC. The retention indices of 23 other C₇C₉ isoalkanes, calculated in the extrapolation region of the equations, were sufficiently accurate.     

Random walk on distant mesh points Monte Carlo methods

A new technique for obtaining Monte Carlo algorithms based on the Markov chains with a finite number of states is suggested. Instead of the classical random walk on neighboring mesh points, a general way of constructing Monte Carlo algorithms that could be called random walk on distant mesh points is considered. It is applied to solve boundary value problems. The numerical examples indicate that the new methods are less laborious and therefore more efficient.In conclusion, we mention that all Monte Carlo algorithms are parallel and could be easily realized on parallel computers.     

Gas chromatographic retention indices for alkenes on OV-101 and squalane capillary columns

Summary Gas chromatographic retention indices for 47 C₅ to C₈ alkenes on OV-101 dimethylsilicone at 50 and 70 °C were determined within a standard deviation of 0.3i.u. Data obtained on OV-101 are compared with those measured on squalane. The comparison of the retention index and dl/dT values from both columns is presented as linear regression equations with correlation coefficients greater than 0.98.     

Gas chromatographic analysis of C1–C4 nitroparaffins. Separation and identification

Summary The separation of C₁–C₄ nitroparaffins on SE-30, PEGA and Porapak R stationary phases was investigated. The nitroparaffin mixture was obtained from a real technological process. The best separation was achieved on Porapak R at 190°C. The fact that each peak obtained from this column corresponded to a single compound was checked by utilizing the linear relationship between the peak widths and the adjusted retention times (t _R ). Peak identification was carried out using the chromatographic data only, with help of plots of log t _R vs. carbon number and log t _R vs. boiling point; some of the results were also confirmed with comparing the retention times with those of pure substances and IR investigation of the collected chromatographic fraction.     

Artificial intelligence–based models for the qualitative and quantitative prediction of a phytochemical compound using HPLC method

Isoquercitrin is a flavonoid chemical compound that can be extracted from different plant species such as Mangifera indica (mango), Rheum nobile , Annona squamosal , Camellia sinensis (tea), and coriander ( Coriandrum sativum L.). It possesses various biological activities such as the prevention of thromboembolism and has anticancer, antiinflammatory, and antifatigue activities. Therefore, there is a critical need to elucidate and predict the qualitative and quantitative properties of this phytochemical compound using the high performance liquid chromatography (HPLC) technique. In this paper, three different nonlinear models including artificial neural network (ANN), adaptive neuro-fuzzy inference system (ANFIS), and support vector machine (SVM),in addition to a classical linear model [multilinear regression analysis (MLR)], were used for the prediction of the retention time (tR) and peak area (PA) for isoquercitrin using HPLC. The simulation uses concentration of the standard, composition of the mobile phases (MP-A and MP-B), and pH as the corresponding input variables. The performance efficiency of the models was evaluated using relative mean square error (RMSE), mean square error (MSE), determination coefficient (DC), and correlation coefficient (CC). The obtained results demonstrated that all four models are capable of predicting the qualitative and quantitative properties of the bioactive compound. A predictive comparison of the models showed that M3 had the highest prediction accuracy among the three models. Further evaluation of the results showed that ANFIS–M3 outperformed the other models and serves as the best model for the prediction of PA. On the other hand, ANN–M3proved its merit and emerged as the best model for tR simulation. The overall predictive accuracy of the best models showed them to be reliable tools for both qualitative and quantitative determination.     

Heat transfer in boiling of refrigerant R-21 in a downward flow in an assembly of minichannels

The paper presents the results of an experimental study of heat transfer in boiling of refrigerant R-21 in a downward flow in a vertical assembly of minichannels of a plate-fin heat exchanger. Characteristic regimes of vapor-liquid flow and heat transfer coefficients have been obtained for the case of plain fins in the ranges of low mass velocities and heat fluxes that are typical of the industry but poorly studied. The obtained data show no significant dependence of the heat transfer coefficient on the heat flux density and mass velocity, which may be explained by the decisive effect of the evaporation of thin liquid film on the heat transfer at low heat flux density.     

Grafting with acrylonitrile with the redox system cellulose xanthogenate–hydrogen peroxide

The possibility of obtaining modified cellulose products by reacting cellulose xanthogenate in solutions containing oxidizers and acrylonitrile was studied. The ability of the cellulose xanthogenate–hydrogen peroxide redox system to initiate graft copolymerization of acrylonitrile on the cellulose was demonstrated. The influence of various factors on the processes was investigated. An attempt was made to clarify the nature of the reactions involved.     

Catalytic action of calcium acetate and the manganese acetate–sodium acetate mixture in the pre-esterification of dimethyl terephthalate with ethylene glycol

Products of pre-esterification of dimethyl terephthalate with ethylene glycol at various times carried out with two catalysts, i.e., calcium acetate and a mixture of manganese and sodium acetates, were studied. Thin-layer chromatography was used to follow the fundamental reaction and determine the type and degree of oligomerization. It was established that the manganese–sodium acetate mixed catalyst is more efficient both with regard to pre-esterification and oligomerization.     

A study of fused silica micro/nano patterning by focused-ion-beam

A dual-beam scanning electron microscopy (SEM)/focused-ion-beam (FIB) system was used to pattern fused silica substrates coated with a 15 nm thin Cr layer. The dimensions of fabricated features together with their surface morphology and profiles were investigated by SEM and atomic force microscopy (AFM). The study demonstrated that with the increase of the ion beam fluence the sputtering rate of the fused silica decreased non-linearly. Also, it was found that initially the sputtering rate increased with the increase of the beam current, after reaching a maximum value, it started decreasing when further beam current increment was performed. Compared with unprocessed areas, the surface finish of the features fabricated by FIB exhibited a significant improvement, and the ion fluence influence on the surface roughness of trenches with low aspect ratios could be considered as negligible. Using a fine beam probe, nano-gratings in the form of grooves with a width down to 54 nm and an aspect ratio higher than three were fabricated. The study showed that FIB machining could be an alternative technology to e-beam lithography for producing fused silica templates for UV nanoimprinting.