Biologically active amphiphilic derivatives of chitosan

Amphiphilic N-derivatives of chitosan containing C₁₂ alkyl and carboxyl groups were obtained. It was shown that the compounds obtained have fungicidal activity and form intermolecular associates in solutions. __________ Translated from Khimicheskie Volokna, No. 6, pp. 57–58, November–December, 2005.     

Efficiently Detecting Metallodrug–Protein Adducts: Ion Trap versus Time‐of‐Flight Mass Analyzers

Modern mass spectrometry techniques have increasingly found use in studies on the binding of anticancer metallodrugs to potential cellular targets. In this context, investigations on the detection efficiency of adduct formation between antiproliferative Ru(arene) complexes and proteins in dependence of the mass analyzer used in the electrospray ionization (ESI) mass spectrometer are presented. The potential in detecting adducts between the metal center and the protein was found to be dependent on the mass analyzer and the denticity of the metal–protein interaction. This might be related to the design of the mass analyzers with different conditions in the ion travelling pathways, which affects adducts when the protein acts as a monodentate ligand more highly than in cases when the protein is a multidentate ligand. This could also impact the biological activity and indicate different pathways of metabolism of biomolecule adducts.     

Spatial analyses of wildlife contact networks

Datasets from which wildlife contact networks of epidemiological importance can be inferred are becoming increasingly common. A largely unexplored facet of these data is finding evidence of spatial constraints on who has contact with whom, despite theoretical epidemiologists having long realized spatial constraints can play a critical role in infectious disease dynamics. A graph dissimilarity measure is proposed to quantify how close an observed contact network is to being purely spatial whereby its edges are completely determined by the spatial arrangement of its nodes. Statistical techniques are also used to fit a series of mechanistic models for contact rates between individuals to the binary edge data representing presence or absence of observed contact. These are the basis for a second measure that quantifies the extent to which contacts are being mediated by distance. We apply these methods to a set of 128 contact networks of field voles (Microtus agrestis) inferred from mark–recapture data collected over 7 years and from four sites. Large fluctuations in vole abundance allow us to demonstrate that the networks become increasingly similar to spatial proximity graphs as vole density increases. The average number of contacts, , was (i) positively correlated with vole density across the range of observed densities and (ii) for two of the four sites a saturating function of density. The implications for pathogen persistence in wildlife may be that persistence is relatively unaffected by fluctuations in host density because at low density is low but hosts move more freely, and at high density is high but transmission is hampered by local build-up of infected or recovered animals.     

A mathematical model and ant colony algorithm for multi-manned assembly line balancing problem

In real-world assembly lines, that the size of the product is large (e.g., automotive industry), usually there are multi-manned workstations where a group of workers simultaneously perform different operations on the same individual product. This paper presents a mixed integer programming model to solve the balancing problem of the multi-manned assembly lines optimally. This model minimizes the total number of workers on the line as the first objective and the number of opened multi-manned workstations as the second one. Since this problem is well known as NP (nondeterministic polynomial-time)-hard, a heuristic approach based on the ant colony optimization approach is developed to solve the medium- and large-size scales of this problem. In the proposed algorithm, each ant tries to allocate given tasks to multi-manned workstations in order to build a balancing solution for the assembly line balancing problems by considering the precedence relations, multi-manned assembly line configuration, task times, and cycle time constraints. Through computational experiments, the performance of the proposed ACO is compared with some existing heuristic on various problem instances. The experimental results validate the effectiveness and efficiency of the proposed algorithm.     

A variable neighborhood binary particle swarm algorithm for cell layout problem

In this paper, a new mathematical model is proposed for inter- and intra-cell layout problem in cellular manufacturing system. A binary particle swarm optimization algorithm with a new heuristic approach for satisfying the constraints of model is implemented to solve the proposed model. Also, a variable neighborhood search is applied for finding better local optimal solutions. Some sensitivity analyses are carried out to find the best values of PSO parameters. To prove the efficiency of the proposed algorithm, various numerical examples in small, medium, and large sizes in both perfect geometric shapes and random placements are generated and solved.     

Determination of IgG1 and IgG3 SARS-CoV-2 Spike Protein and Nucleocapsid Binding—Who Is Binding Who and Why?

The involvement of immunoglobulin (Ig) G3 in the humoral immune response to SARS-CoV-2 infection has been implicated in the pathogenesis of acute respiratory distress syndrome (ARDS) in COVID-19. The exact molecular mechanism is unknown, but it is thought to involve this IgG subtype’s differential ability to fix, complement and stimulate cytokine release. We examined the binding of convalescent patient antibodies to immobilized nucleocapsids and spike proteins by matrix-assisted laser desorption/ionization–time of flight (MALDI-ToF) mass spectrometry. IgG3 was a major immunoglobulin found in all samples. Differential analysis of the spectral signatures found for the nucleocapsid versus the spike protein demonstrated that the predominant humoral immune response to the nucleocapsid was IgG3, whilst for the spike protein it was IgG1. However, the spike protein displayed a strong affinity for IgG3 itself, as it would bind from control plasma samples, as well as from those previously infected with SARS-CoV-2, similar to the way protein G binds IgG1. Furthermore, detailed spectral analysis indicated that a mass shift consistent with hyper-glycosylation or glycation was a characteristic of the IgG3 captured by the spike protein.     

Switching from Ethylene Trimerization to Ethylene Polymerization by Chromium Catalysts Bearing SNS Tridentate Ligands: Process Optimization Using Response Surface Methodology

Two types of chromium catalysts bearing pyridine and amine based SNS ligands under the title of (pyridine-SNS-alkyl/CrCl₃) and (amine-SNS-alkyl/CrCl₃) were synthesized. Different thiolates such as octyl, pentyl, butyl, cyclohexyl and cyclopentyl thiolates were reacted with 2,6-pyridine-dimethylene-ditosylate (PMT)/THF solution at room temperature. Then, the purified pyridine-based SNS ligands (1–5) were reacted with CrCl₃ (THF)₃ to obtain the pyridine-SNS-alkyl/CrCl₃ catalysts (6–10) in 50–70% yields. MMAO-activated pyridine-SNS-alkyl/CrCl₃ catalysts were capable of oligomerizing ethylene. Statistical experimental design was conducted using the central composite design method and surface methodology to study of the effect of important parameters such as ethylene pressure, Al/Cr ratio, catalyst concentration and the reaction temperature on 1-C₆ productivity of catalyst (7). A quadratic polynomial equation was developed to predict the 1-C₆ productivity. Ethylene oligomerization using the catalyst (7) was lead to a optimized reaction conditions, including the ethylene pressure of 19.5 bar, the temperature of 58.2 °C, the MMAO co-catalyst, Al/Cr?=?841 and the catalyst concentration of 8.7 µmol. The catalytic properties for ethylene oligomerization are strongly affected by reaction temperature. The experimental results indicated the reasonable agreement with the predicted values. The transformation from ethylene trimerization to ethylenev polymerization of catalyst system (7) was occurred by exchanging the reaction pressure. Influence of ligand structure with different substitutions on sulphur atom on productivity and selectivity was investigated. 1-C₆ with the high selectivity and productivity 4318 (g 1-C₆/g Cr h) was obtained for catalyst (7). In the second part, 1-C₆ was obtained with high selectivity and productivity around 141?×?10³ (g 1-C₆/g Cr h) for amine-based catalyst. All amine-based catalysts (14–16) showed considerably higher catalytic activities compared to pyridine-based catalysts. According to the TGA analysis the thermal stability of pyridine-based catalysts was found to be higher than the amine-based catalysts.

Graphical Abstract

Chromium complexes bearing pyridine and amine based SNS ligands have been synthesized and their catalytic performance in ethylene oligomerization has been investigated. A switching from ethylene trimerization to ethylene polymerization of the catalyst (7) was obtained utilizing exchanging of the ethylene pressure.

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Influence of top‐section design and draft‐tube height on the performance of airlift bioreactors containing water‐in‐oil microemulsion

The mixing and mass transfer characteristics of draft‐tube airlift bioreactors (DTAB) for a water‐in‐kerosene microemulsion, as a cold model of petroleum biodesulfurization, were studied. Incomplete gas disengagement at the top‐section of the DTAB and hence high gas recirculation were obtained with the microemulsion system for all the top‐section configurations employed in the present study especially at the high airflow rates. The ratio (S) of the volumes of the riser and the downcomer to the top‐section together with the gas disengagement abilities of the gas separator were both found to affect the mixing performance of the DTAB employed for the microemulsion system. Increase in the draft‐tube height resulted in significant increase in the mixing time (t_m) and a slight increase in the overall volumetric oxygen transfer coefficient (k_La). Increase in the diameter of the top‐section and the height of the liquid above the draft‐tube led to a decrease in k_La, the latter effect being less prominent. New correlations were developed that predicted the mixing time and oxygen transfer coefficients obtained in the present work with reasonable accuracy. Copyright © 2004 Society of Chemical Industry     

Fault Diagnosis in Multivariate Control Charts Using Artificial Neural Networks

Most multivariate quality control procedures evaluate the in‐control or out‐of‐control condition based upon an overall statistic, like Hotelling's T². Although T² is optimal for finding a general shift in mean vectors, it is not optimal for shifts that occur for some subset of variables. This introduces a persistent problem in multivariate control charts, namely the interpretation of a signal that often discourages practitioners in applying them. In this paper, we propose an artificial neural network based model to diagnose faults in out‐of‐control conditions and to help identify aberrant variables when Shewhart‐type multivariate control charts based on Hotelling's T² are used. The results of the model implementation on two numerical examples and one case of real world data are encouraging. Copyright © 2005 John Wiley & Sons, Ltd.     

Unsteady-State Mass Transfer of Gases between Two Quiescent Phases

It is shown that many gases interact with water by reactions similar to that characteristic of sulfur dioxide. The unsteady-state transfer of such gases from one quiescent phase into another is studied in the cases where these gases are absorbed by a liquid or released from a liquid solution.