Artificial neural network modeling of diuron and irgarol-based HPLC data and their levels from the seawaters in Izmir,Turkey

The LC determination of two well-known antifouling booster biocides, diuron and irgarol, was investigated from the seawaters in ?zmir, Turkey. The biocide levels were pre-concentrated through C18 solid-phase extraction cartridges and they were analyzed by the LC-UV method. An artificial neural network (ANN) was used to model the data obtained from LC optimization. Column temperature, percentage of acetonitrile, flow rate, wavelength, pH, and concentration of biocides were used as input parameters. The retention time was selected as output parameter. The best back-propagation algorithm in ANN modeling for diuron and irgarol was found to be the Levenberg–Marquardt algorithm. The limits of detection for diuron and irgarol were calculated as 25.38 and 39.49 ng L^?1, respectively. The inter-day and intra-day precisions were obtained less than 13.5% for each biocide. The recovery rate for diuron was 96.9% and for irgarol it was 84.6%. The maximum diuron and irgarol levels were measured as 1779 ng L^?1 and 908 ng L^?1, respectively. In conclusion, ANN is a robust modeling method to predict the retention time in LC studies. Since diuron and irgarol have been detected in Turkish waters, it is therefore suggested that booster biocides with less impact on the environment should be used in antifouling paint formulas.     

Adsorption and Corrosion Inhibition Effect of 1,1′-Thiocarbonyldiimidazole on Mild Steel in H2SO4 Solution and Synergistic Effect of Iodide Ion

The inhibition effect of 1,1′-thiocarbonyldiimidazole (TCDI) on the corrosion behaviors of mild steel (MS) in 0.5 mol·L⁻¹ H₂SO₄ solution was studied with the help of potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and linear polarization resistance (LPR) techniques. The effect of immersion time on the inhibition effect of TCDI was also investigated over 72 h. For the long-term tests, hydrogen evolution with immersion time (V_H2-t) was measured in addition to the three techniques already mentioned. The thermodynamic parameters, such as adsorption equilibrium constant (K_ads) and adsorption free energy (ΔG_ads) values, were calculated and discussed. To clarify inhibition mechanism, the synergistic effect of iodide ion was also investigated. The potential of zero charge (PZC) of the MS was studied by electrochemical impedance spectroscopy method, and a mechanism of adsorption process was proposed. It was demonstrated that inhibition efficiency increased with the increase in TCDI concentration and synergistically increased in the presence of KI. The inhibition efficiency was discussed in terms of adsorption of inhibitor molecules on the metal surface and protective film formation.     

NMR relaxometry study of gelatin based low-calorie soft candies

ABSTRACT

Soft candies are popular confectionery products. The most significant concern on the consumption of these products is the high amount of sugar and thus the high calories. The use of low-calorie sweeteners is a desirable trend in confectionery research. In this study, gelatin-based soft candies were formulated by using different sweeteners and their characterisation was performed using high and low field nuclear magnetic resonance (NMR) relaxation experiments. To complement the information obtained by NMR experiments, moisture content, water activity, texture analysis and differential scanning calorimeter experiments were also conducted. T₁ and T₂ relaxation times were measured at both low and high fields and also temperature-dependent measurements were conducted at the high field system. Candies were formulated by substitution of sucrose with maltitol, isomalt and stevia at 30%, 50% and 70% ratios. Significant difference was observed on relaxation times. T₁ values were best described by a mono-exponential model, whereas for T₂ relaxation times a bi-exponential model gave better results at both fields.     

Water‐Mediated Surface Diffusion Mechanism Enables the Cold Sintering Process: A Combined Computational and Experimental Study

The cold sintering process (CSP) densifies ceramics at much lower temperatures than conventional sintering processes. Several ceramics and composite systems have been successfully densified under cold sintering. For the grain growth kinetics of zinc oxide, reduced activation energies are shown, and yet the mechanism behind this growth is unknown. Herein, we investigate these mechanisms in more detail with experiments and ReaxFF molecular dynamics simulations. We investigated the recrystallization of zinc cations under various acidic conditions and found that their adsorption to the surface can be a rate‐limiting factor for cold sintering. Our studies show that surface hydroxylation in CSP does not inhibit crystallization; in contrast, by creating a surface complex, it creates an orders of magnitude acceleration in surface diffusion, and in turn, accelerates recrystallization.     

Inhibition of paraoxonase 1 by coumarin‐substituted N‐heterocyclic carbene silver(I), ruthenium(II) and palladium(II) complexes

We synthesized three coumarin‐substituted benzimidazolium chlorides and their silver(I), ruthenium(II) and palladium(II) N‐heterocyclic carbene (NHC) complexes. All compounds were characterized using appropriate spectroscopic techniques and elemental analyses. Single‐crystal X‐ray structure of a Pd(II)–NHC complex ( 6b ) was also determined. The inhibitory properties of all compounds were tested on the activity of human paraoxonase 1 (PON1). All complexes exhibited weaker inhibitory properties than their corresponding benzimidazolium salts except for complex 6b which is the most active inhibitor with an IC₅₀ value of 3.01 μM among the compounds reported in this study. A kinetic evaluation showed that this complex inhibits PON1 activity in a non‐competitive manner. Molecular docking studies were also performed for 6b in order to obtain more insight into the binding mode.