Modelling of pharmaceutical tablet swelling and dissolution using discrete element method

This work presents a novel use of the Discrete Element Method (DEM) combined with inter-particle mass transfer in order to simulate polymer swelling and dissolution. Each particle can absorb water and swell, pushing on its neighbours and causing an overall expansion. Once the disentanglement threshold is reached, the polymer dissolves and the particle reduces in size. This paper applies DEM to simulate the radial swelling and dissolution of cylindrical tablets. The method was validated against exact numerical solution of the same system to assess the accuracy of the DEM simulations for different DEM particle sizes. Parametric studies were done to assess the impact of physical parameters – namely the concentration-dependent diffusion coefficient of water through the polymer, the dissolution rate constant of the polymer and the disentanglement threshold of the polymer – on the radial expansion of the tablet. It was found that different settings of the concentration-dependent water diffusion coefficient function could produce similar radial expansion curves but with different internal concentration profiles. Increasing the dissolution rate constant or decreasing the disentanglement threshold of the polymer caused a reduction in the maximum radius of tablet. Lastly, ATR-FTIR spectroscopic imaging was used to obtain chemical images of a pure hydroxy-propyl methylcellulose (HPMC) tablet swelling and dissolving. The model was optimised to match both the HPMC tablet radius and the concentration profiles over time.     

Fast removal of Pb(II) and Cu(II) from contaminated water by groundwater treatment waste: impact of sorbent composition

ABSTRACT

A non-hazardous groundwater treatment waste (GWTW) was examined as a low-cost sorbent for Pb(II) and Cu(II) ions. The content of the dominant elements in GWTW was as follows: 78% Fe₂O₃, 7.4% P₂O₅, 7.4% CaO and 5.2% SiO₂. The removal of Pb(II) and Cu(II) was fast, and more than 67–95% of ions were accumulated by GWTW during the first 3 min. The sorption capacity of GWTW depends on solution pH, concentration and temperature. Equilibrium data fitted well with Langmuir–Freundlich and Langmuir-partition models. The inherently formed nano-adsorbent could be utilized for the treatment of water contaminated with Pb(II) and Cu(II) ions.     

Multiscale approach to the morphology,structure, and segmental dynamics of complex degradable aliphatic polyurethanes

A multiscale approach spanning from the segmental (subnanometer) up to micrometer level was applied for detailed study of the self‐assembly of aliphatic block polyurethane (PU) elastomers. To understand the principles of the self‐organization of hard and soft segments in the complex multi‐component systems, several two‐component model PU samples, that is, the products of 1,6‐diisocyanatohexane (HDI) with three diols differing in the length and constitution were also prepared, characterized, and investigated: (i) polycarbonate‐based macrodiol (MD), (ii) biodegradable oligomeric diol (DL‐L; product of butane‐1,4‐diol and D,L‐lactide), and (iii) butane‐1,4‐diol (BD). The study (particularly ¹³C‐¹H PILGRIM NMR spectra) reveals complex internal organization and interesting (application appealing) behavior of multi‐component PUs. Hard segments (HDI+BD products) feature self‐assembled and significantly folded chain conformations with interdomain spacing 15–22 nm (small‐angle X‐ray scattering analysis). The small domains are hierarchically assembled in various structural formations of µm size (spherulites) depending on PU composition, as detected by transmission electron microscopy and atomic force microscopy. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41590.     

Ultra-trace Analysis of Enantiomeric Impurities in Proteinogenic N-Fmoc-Amino-acid Samples on Cinchona Alkaloid-based Chiral Stationary Phases

The enantiomeric purity of N_α-Fmoc-protected amino acids is crucial from the viewpoint of peptide synthesis; therefore, a sensitive high-performance liquid chromatographic protocol was developed for the identification and quantification of enantiomeric impurities of commercially available N_α-Fmoc-protected amino acids on Cinchona alkaloid quinine- and quinidine-based weak anion exchanger-type chiral stationary phases. In the course of the evaluation of the chiral chromatographic method, the effect of the mobile phase composition, nature, and concentration of different additives were optimized. The specific phenomenon that quinine- and quinidine-based chiral stationary phases behave as pseudo-enantiomers permits that the sequence of elution of the enantiomers might be reversed by simple column switching. This is quite advantageous as regards the separation of the minor component in the presence of the major one. The method developed permits detection of less than 0.01 % enantiomeric impurity in the presence of the major enantiomer.     

Kynurenic Acid and Its Analog SZR104 Exhibit Strong Antiinflammatory Effects and Alter the Intracellular Distribution and Methylation Patterns of H3 Histones in Immunochallenged Microglia-Enriched Cultures of Newborn Rat Brains

Kynurenic acid (KYNA) is implicated in antiinflammatory processes in the brain through several cellular and molecular targets, among which microglia-related mechanisms are of paramount importance. In this study, we describe the effects of KYNA and one of its analogs, the brain-penetrable SZR104 (N-(2-(dimethylamino)ethyl)-3-(morpholinomethyl)-4-hydroxyquinoline-2-carboxamide), on the intracellular distribution and methylation patterns of histone H3 in immunochallenged microglia cultures. Microglia-enriched secondary cultures made from newborn rat forebrains were immunochallenged with lipopolysaccharide (LPS). The protein levels of selected inflammatory markers C–X–C motif chemokine ligand 10 (CXCL10) and C–C motif chemokine receptor 1 (CCR1), histone H3, and posttranslational modifications of histone H3 lys methylation sites (H3K9me3 and H3K36me2, marks typically associated with opposite effects on gene expression) were analyzed using quantitative fluorescent immunocytochemistry and western blots in control or LPS-treated cultures with or without KYNA or SZR104. KYNA and SZR104 reduced levels of the inflammatory marker proteins CXCL10 and CCR1 after LPS-treatment. Moreover, KYNA and SZR104 favorably affected histone methylation patterns as H3K9me3 and H3K36me2 immunoreactivities, and histone H3 protein levels returned toward control values after LPS treatment. The cytoplasmic translocation of H3K9me3 from the nucleus indicated inflammatory distress, a process that could be inhibited by KYNA and SZR104. Thus, KYNA signaling and metabolism, and especially brain-penetrable KYNA analogs such as SZR104, could be key targets in the pathway that connects chromatin structure and epigenetic mechanisms with functional consequences that affect neuroinflammation and perhaps neurodegeneration.     

Fast internal dynamics in polyelectrolyte gels measured by dynamic light scattering

Summary Dynamic light scattering was used to investigate the dynamics of sodium poly(styrene sulfonate) and fully neutralized poly(acrylic acid) gels as a function of the degree of swelling and weight ratio of cross-linking agent. It was shown that the collective diffusion coefficient increases with increasing degree of swelling and that the diffusion coefficient shows stronger concentration dependence than predicted by scaling arguments. For gel samples measured at the swelling equilibrium, the diffusion coefficient increases with increasing gel concentration for both gel systems.     

Composite polypyrrole-containing particles and electrical properties of thin films prepared therefrom

Preparation of core-shell particles consisting of polystyrene-poly(ethylene glycol) monomethacrylate (PS-PEGMA) core covered with polypyrrole (PPy) shell is described. The thickness of PPy shell, which strongly influences electrical properties of the films prepared from the particles, can be varied by changing pyrrole load, controlling the overall template surface area in the system and by influencing the pyrrole polymerization kinetics in the presence of different oxidants. The type of anions and PPy loading strongly influence the electrical conductivity. Typical value of the resistivity of thin film consisting of core-shell particles was 34 Ωm (PPy oxidized by FeCl₃, shell thickness 3 nm). Current-voltage dependences of low conductivity samples (thin PPy shell layer) are characteristic of contact-limited currents. The conductivity of the particles changes with humidity, which can be utilized in humidity sensors.     

Trend Assessment by the Innovative-Şen Method

Hydro-meteorological time series may include trend components mostly due to climate change since about three to four decades. Trend detection and identification in a better and refined manner are among the major current research topics in water resources domain. Even though different methodologies can be found for trend detection in literature, two well-known procedures are the Mann-Kendall (MK) trend test and recently innovative-?en trend method, which provides different aspects of the trend. The theoretical basis and application of these two methods are completely different. The MK test gives a holistic monotonic trend without any categorization of the time series into a set of clusters, but the innovative-?en method is based on cluster and provides categorical trend behavior in a given time series. The main purpose of this paper is to provide important differences between these two approaches and their possible similarities. The applications of the two approaches are given for hydro-meteorological records including relative humidity, temperature, precipitation and runoff from Ergene drainage basin in the north-western part of Turkey. It is observed that although MK trend test does not show significant trend almost in all the cases, the innovative-?en approach yields trend categorizations as “very low”, “low”, “medium” “high” and “very high”, which should be taken into consideration in future flood (“very high”) and drought (“very low”) studies.     

Burg 算法在地震数据反褶积中的应用

Burg 算法的一个重要概念是在求自相关函数时,对数据时窗外仅作最大随机性假设,而不认为等于零。用这一概念,可以外推自相关函数。当用 Burg算法求反滤波器预测误差因子 a_i~((m))时,既不计算自相关函数,也不计算反滤波因子的全部系数值,而只需要计算因子最末一点的系数 a_m~((m)),并且这一计算仅限定在数据时窗范围内进行。本文将 Burg 算法具体应用于地震数据反褶积中,在求 a_m~((m))时作了部分的修改,提高了稳定程度,改善了反褶积的地震剖面质量。从已进行的实际地震数据试算结果来看,只要处理参数使用恰当,地震剖面上信号的分辨率均有十分明显的提高,并且信噪比也有所改善。     

Evaluating of traumatic brain injuries using artificial neural networks

The purpose of this study is to develop a diagnostic system to detect the severity of traumatic brain injuries using artificial neural networks. Three layered back propagation neural network with an input layer of 10 nodes whose output providing the inputs to a hidden layer was used. Thirty-two patients with traumatic brain injuries in different age and gender were taken in the study. Electroencephalography, Trauma and Glasgow coma scores were used for evaluating the data. The results obtained from the system were compared with the findings of neurologists. We found a significant relationship between the findings of neurologists and systems output for normal, mild, moderate and severe electroencephalography tracing data. Getting this system in routine use will lead to make a rapid decision for the degree of trauma with electroencephalography and revised trauma score.