The impact of the modified Poisson–Boltzmann model on protein bound to a lipid coated silicon nanowire field effect transistor biosensor in an electrolyte environment

The aim of this work was to analyse the electrostatic potential profile, various effects of electrolyte concentrations, and the influences of surface charge on a protein bound to a lipid coated Silicon nanowire field effect transistor (Si-NW FET) biosensor by implementing the modified Poisson–Boltzmann (MPB) model. In this work, we modelled a lipid monolayer-coated Si-NW FET for the sensing of proteins, which consisted of variable amounts of aspartic acid. The electrostatic potential profile, protein charge distributions, the response to various electrolyte concentration, and the impacts of various surface charge were studied by implementing the MPB model with the Si-NW FET biosensor. Additionally, a comparison between the use of the MPB and the Poisson–Boltzmann model in studying the effects of various surface charges was carried out. Taken together, it was found that the MPB model showed a higher resolution in studying the Si-NW FET biosensor model when higher concentrations and surface charges were administered.     

A New Oxynitride Compound of Molybdenum,Na3MoO3N — Synthesis via the Azide Route and Structure

The new oxynitride compound of molybdenum, Na₃MoO₃N was prepared via the azide route. Its crystal structure was solved and refined from X‐ray powder data (orthorhombic, Pmn2₁, a = 724.63(1), b = 624.98(1), c = 563.86(1) pm, R_p: 9.04 %; R_wp: 9.83 %). The structure consists of isolated [MoO₃N]^3— tetra‐hedra which are separated by Na⁺ cations, also in a tetrahedral coordination. It is isostructural to Na₃WO₃N which is a lower symmetry derivative of the Cu₃AsS₄ structure. Due to the small difference in the scattering lengths of nitrogen and oxygen, we were unable to distinguish between fully ordered, fully disordered, or partially ordered anions. However, from the positive SHG responses, we can deduce the acentric space group being the correct one and based on the lattice energy calculations, we have been able to identify the position most probably being occupied by nitrogen.     

A new bismuth iron oxyphosphate,Bi6(Bi0.32Fe0.68)(PO4)4O4

Iron was inserted into the known crystal structure of the bismuth phosphate oxide Bi_6.67(PO₄)₄O₄ to ascertain its location in the vacancies associated with the bismuth ion located at the origin of the unit cell. Single‐crystal X‐ray diffraction refinements converged to a model of composition Bi₆(Bi_0.32Fe_0.68)(PO₄)₄O₄ (hexabismuth iron tetraphosphate tetraoxide), in which Bi and Fe are displaced from the origin giving rise to a random distribution over the 2i sites instead of 1a, the origin of space group P. The isotropic displacement parameter for Bi/Fe has a reasonable value in this model. This structure establishes for the first time that Fe substitutes in the Bi‐deficient site in this series of materials and that Fe and Bi are disordered around the center of symmetry. These results enhance understanding of the crystal chemistry of these main group phosphates that are of interest in ion transport.     

Combined location and routing problems for designing the quality-dependent and multi-product reverse logistics network

With a growing awareness of carbon footprints and their impact on environmental degradation, many firms hope to streamline their reverse logistics (RL) operations involving end-of-use products. However, managing end-of-use products can be extremely challenging due to inherent complexity involved in the collection, sorting, transhipment, and processing of these products. Despite numerous challenges, the efficient handling of these products can be a source of competitive advantages. In this regard, a plastic recycling industry in Southern India is no exception. This industry often copes with the problem of picking up recyclable plastic bottles using private collecting agents, transferring those bottles to the initial collection points (ICPs), and then transhipping and consolidating them at the centralized return centres (CRCs) for final shipments to the processing centres where these bottles were treated for recycling. This problem can be further complicated with the dilemma of finding the most ideal locations of ICPs and CRCs and the optimal routing of vehicles serving ICPs and CRCs such that the total RL cost is minimized. To aid the industry in dealing with such RL problems, we developed a mathematical model and then evaluated the performances of that model with the actual data obtained from a case study of the Indian company. Given a lack of efforts in combining the location-routing problem with the balanced allocation problem in the closed-loop supply chain network, the main contribution of this paper includes the simultaneous consideration of location, allocation, and routing decisions. In addition, this paper is one of the first to consider incentive payments, the quality level of products, and multiple types of products.     

A genetic algorithm for optimal operating parameters of VMI system in a two-echelon supply chain

This paper deals with the operational issues of a two-echelon single vendor–multiple buyers supply chain (TSVMBSC) model under vendor managed inventory (VMI) mode of operation. The operational parameters to the above model are: sales quantity and sales price that determine the channel profit of the supply chain, and contract price between the vendor and the buyer, which depends upon the understanding between the partners on their revenue sharing. In order to find out the optimal sales quantity for each buyer in TSVMBSC problem, a mathematical model is formulated. Optimal sales price and acceptable contract price at different revenue share are subsequently derived with the optimal sales quantity. A genetic algorithm (GA) based heuristic is proposed to solve this TSVMBSC problem, which belongs to nonlinear integer programming problem (NIP). The proposed methodology is evaluated for its solution quality. Furthermore, the robustness of the model with its parameters, which fluctuate frequently and are sensitive to operational features, is analysed.     

Effect of nitrogen and carbon dioxide as fuel impurities on PEM fuel cell performances

Polymer electrolyte membrane (PEM) fuel cells are considered to have the highest power density of all the fuel cells. They operate on hydrogen fuel, which is generally produced by reforming of hydrocarbons, and may contain large amounts of impurities such as carbon dioxide, nitrogen, and trace amounts of carbon monoxide. We studied the effect of dilution of hydrogen gas with carbon dioxide on PEM fuel cells by polarization studies. The polarization curves were different when hydrogen gas was diluted with same quantities of carbon dioxide and with nitrogen. It may be due to carbon monoxide formation by reverse shift reaction and poisoning of anode platinum catalyst. Use of Pt–Ru alloy catalyst was found to suppress the poisoning. The effects of hydrogen gas composition, temperature, current density, and anode catalyst on fuel cell performances were examined in this study.     

Investigation of the effect of finite-sized ions on the nanowire field-effect transistor in electrolyte concentration using a modified Poisson–Boltzmann model

One-dimensional (1D) nanowire field-effect transistors (FETs) have recently played a major role in sensing applications. Due to charging of the surface functional chemical groups with protonation and deprotonation, the transport properties of these nanowire transistors affect the aqueous environment, altering the electrical double layer (EDL) potential drops and charge distributions in the electrolyte concentration. In this work, we have implemented the simple modified Poisson–Boltzmann (MPB) theory in a 1D silicon nanowire FET, and the effect of the various finite sizes of ions in z:z symmetric electrolyte concentration was investigated. For a given ionic concentration and surface charge, the EDL potential drop, accumulation of charges and the charge distributions of NaCl and CsCl ions were studied. From the MPB model results with the nanowire FET, it was observed that the potential drop of the EDL depends on the size of the ions in the electrolyte. The study of various electrostatic investigations of finite-sized ions was successfully done by implementing the MPB model on a silicon nanowire FET. It can be used in both chemical and biological sensors.     

Crystal structures and polymorphism in compounds Bi6+xT1−xP2O15+y, T=first row transition metals and Pb

The compounds Bi_6+xT_1−xP₂O_15+y, T=Ti, Cr, Mn, Fe, Co, Ni, Cu, Zn and Pb display five polymorphic forms. Polymorph A is formed by the Ti, Mn, Fe and Ni phases. Polymorph B is exhibited by Co and Cu compounds. The Cr phase crystallizes as polymorphic form C and the Zn phase crystallizes as polymorph D. The Pb compound crystallizes in a new structure type designated as polymorph E. The transition metal crystal structures demonstrate a similar motive. OBi₄ tetrahedra share edges to form two-dimensional Bi₂O₂ layers that are spanned by PO₄ tetrahedra and TO_6−y octahedra, pyramids and a trigonal bipyramid to form a three-dimensional network. Polymorph A crystallizes in space group C2; polymorph B is centrosymmetric with space group C2/c, the unit cell parameters differ and the unit cell volume is about double. Polymorph C crystallizes in space group and polymorph D exhibits space group C2. Bi_6.4Pb_0.6P₂O_15.2 can be considered as polymorph E, space group C2, with a new crystal structure but related stoichiometry.     

Isomorphic substitution of boron in ZSM-5 type zeolites using TBP as template

A series of B-ZSM-5 samples has been synthesized using ethyl silicate (ES) ester-40, orthoboric acid and tetrabutylphosphonium (TBP) cation template and characterized by XRD, FT-IR, SEM and chemical analysis. It is observed that boron content in the initial reaction mixture influences the crystallization time and the morphology of the crystals. The migration of boron from framework upon calcination is enhanced as the boron content in the framework is increased. The test reaction of 1-hexene is under the profound influence of temperature on conversion and on the formation of primary products trans-2-hexene (t-2H), cis-2-hexene (c-2H) and 3-hexene. The ratios of the selectivity of c-2H to t-2H and 2-hexene to 3-hexene increased with decreasing temperature and decreasing boron content in the framework. Skeletal isomerization products started forming from 250°C as secondary products and increased with further increase of temperature.     

Influence of methanol impurity in hydrogen on PEMFC performance

Proton exchange membrane fuel cells [PEMFC] have become highly attractive for stationary as well as mobile energy applications due to their good efficiency compact cell design and zero emissions. PEM fuel cells mainly consist of anode and cathode containing platinum/platinum alloy electrocatalysts and Nafion membrane as the electrolyte. They operate on hydrogen fuel, which is generally produced by reforming of hydrocarbons, alcohols such as methanol and may contain large amounts of impurities such as methanol, carbon dioxide, trace amounts of carbon monoxide, etc. The studies on the effect of methanol impurity in hydrogen on fuel cell performance and methods of mitigation of poisoning are very important for the commercialization of fuel cells and are described in a limited number of papers only. In this paper, we present the studies on the influence of methanol impurity in hydrogen for the PEM fuel cells. The effect of various parameters such as methanol concentration, cell voltage, current density, exposure time, reversibility, operating temperature, etc. on the cell performances was investigated using pure hydrogen. Various methods of methanol poisoning mitigation were also investigated.