{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions.     

Flexible Distribution-Based Regression Models for Count Data: Application to Medical Diagnosis

Abstract

Data mining techniques have been successfully utilized in different applications of significant fields, including medical research. With the wealth of data available within the health-care systems, there is a lack of practical analysis tools to discover hidden relationships and trends in data. The complexity of medical data that is unfavorable for most models is a considerable challenge in prediction. The ability of a model to perform accurately and efficiently in disease diagnosis is extremely significant. Thus, the model must be selected to fit the data better, such that the learning from previous data is most efficient, and the diagnosis of the disease is highly accurate. This work is motivated by the limited number of regression analysis tools for multivariate counts in the literature. We propose two regression models for count data based on flexible distributions, namely, the multinomial Beta-Liouville and multinomial scaled Dirichlet, and evaluated the proposed models in the problem of disease diagnosis. The performance is evaluated based on the accuracy of the prediction which depends on the nature and complexity of the dataset. Our results show the efficiency of the two proposed regression models where the prediction performance of both models is competitive to other previously used regression models for count data and to the best results in the literature.     

Optimal design of nonlinear model predictive controller based on new modified multitracker optimization algorithm

The controller design for the robotic manipulator faces different challenges such as the system's nonlinearities and the uncertainties of the parameters. Furthermore, the tracking of different linear and nonlinear trajectories represents a vital role by the manipulator. This paper suggests an optimal design for the nonlinear model predictive control (NLMPC) based on a new improved intelligent technique and it is named modified multitracker optimization algorithm (MMTOA). The proposed modification of the MTOA is carried out based on opposition-based learning (OBL) and quasi OBL approaches. This modification improves the exploration behavior of the MTOA to prevent it from becoming trapped in a local optimum. The proposed method is applied on the robotic manipulator to track different linear and nonlinear trajectories. The NLMPC parameters are tuned by the MMTOA rather than the trial and error method of the designer. The proposed NLMPC based on MMTOA is compared with the original MTOA, genetic algorithm, and cuckoo search algorithm in literature. The superiority and effectiveness of the proposed controller are confirmed to track different linear and nonlinear trajectories. Furthermore, the robustness of the proposed method is emphasized against the uncertainties of the parameters.     

Comparison of co-current and counter-current flow in a bifunctional reactor containing ammonia synthesis and 2-butanol dehydrogenation to MEK

In this study, a multi-tubular thermally coupled packed bed reactor in which simultaneous production of ammonia and methyl ethyl ketone (MEK) takes place is simulated. The simulation results are presented in two co-current and counter-current flow modes. Based on this new configuration, the released heat from the ammonia synthesis reaction as an extremely exothermic reaction in the inner tube is employed to supply the required heat for the endothermic 2-butanol dehydrogenation reaction in the outer tube. On the other hand, MEK and hydrogen are produced by the dehydrogenation reaction of 2-butanol in the endothermic side, and the produced hydrogen is used to supply a part of the ammonia synthesis feed in the exothermic side. Thus, 30.72% and 31.88% of the required hydrogen for the ammonia synthesis are provided by the dehydrogenation reaction in the co-current and counter-current configurations, respectively. Also, according to the thermal coupling, the required cooler and furnace for the ammonia synthesis and 2-butanol dehydrogenation conventional plants are eliminated, respectively. As a result, operational costs, energy consumption and furnace emissions are considerably decreased. Finally, a sensitivity analysis and optimization are applied to study the effect of the main process parameters variation on the system performance and obtain the minimum hydrogen make-up flow rate, respectively.     

Mathematical modeling of growth of Salmonella spp. and spoilage microorganisms in raw oysters

The main objective of this study was to develop the primary and secondary models to describe the growth kinetics of Salmonella as well as background microorganisms in raw, shucked oysters. Samples, inoculated with a cocktail of two Salmonella serotypes, S. Typhimurium (CICC22956) and S. Enteritidis (CICC21482), were incubated at 4, 8, 12, 16, 20, 25, 30, 33, 37, 40, and 43 °C. Growth of Salmonella was observed at all temperatures, except at 4 °C. The background microorganisms grew at all temperatures. All growth curves clearly exhibited lag, exponential and stationary phases, and were analyzed using the Huang growth model. Three secondary models (Ratkowsky square-root, Huang square-root, and Cardinal parameter models) were compared for evaluating the effect of temperature on bacterial growth rates. Data analysis was performed using IPMP 2013, a free predictive microbiology software tool developed by the USDA ARS.The Cardinal parameters model underestimated the specific rates of the microorganisms at low temperatures. The Huang square-root model was more suitable than the Ratkowsky square-root model for describing the effect of temperature on growth of Salmonella, while the Ratkowsky square-root model, on the other hand, was more suitable for background microorganisms. For both Salmonella and background microorganisms, the logarithms of the lag phase were expressed as linear functions of the logarithms of specific growth rates. The results of this study can be used by the food retailers and regulatory agencies to estimate the microbial shelf-life of raw, shucked oysters.     

Evaluation of hydrodynamic behavior of the perforated gas distributor of industrial gas phase polymerization reactor using CFD-PBM coupled model

A 2D computational fluid dynamics (Eulerian–Eulerian) multiphase flow model coupled with a population balance model (CFD-PBM) was implemented to investigate the fluidization structure in terms of entrance region in an industrial-scale gas phase fluidized bed reactor. The simulation results were compared with the industrial data, and good agreement was observed. Two cases including perforated distributor and complete sparger were applied to examine the flow structure through the bed. The parametric sensitivity analysis of time step, number of node, drag coefficient, and specularity coefficient was carried out. It was found that the results were more sensitive to the drag model. The results showed that the entrance configuration has significant effect on the flow structure. While the dead zones are created in both corners of the distributors, the perforated distributor generates more startup bubbles, heterogeneous flow field, and better gas–solid interaction above the entrance region due to jet formation.     

Expression of RCAS1 Correlates with Urothelial Bladder Cancer Malignancy

RCAS1 is a protein that participates in regulation of the tumor microenvironment and its immune responses, all in order to evade the immune system. The aim of this study was to analyze RCAS1 expression in urothelial bladder cancer cells (and in fibroblasts and macrophages of the tumor stroma) and its relationship with the histological pattern of malignancy. Eighty-three postcystectomy patients were enrolled. We analyzed the histological maturity (grade), progress (pT stage), tissue invasion type (TIT), nonclassic differentiation number (NDN), and the ability to metastasize (pN). The expression of RCAS1 protein was analyzed by immunohistochemistry. Indicators of histological malignancy were observed solely in association with the RCAS1 expression in cells in the border parts (BPs) of the tumor. Histological malignancy of the tumor, indicated by the pT and pN, and metastasis-free survival time, correlated significantly with RCAS1 expression in tumor neoplastic cells, whereas malignancy determined by grade, TIT, and NDN correlated with RCAS1 expression in fibroblasts and macrophages in the tumor microenvironment. These findings suggest that the increased RCAS1 expression depends on its cellular source and that RCAS1 expression itself is a component of various signaling pathways. The immune escape occurs within the tumor BPs, where the increase in the RCAS1 expression occurs within tumor cells and stromal cells in its microenvironment. We conclude that the histological pattern of tumor malignancy, indicated by grade, TIT, NDN, pT, and pN is a morphological indicator of immune escape.     

云杉八齿小蠹Ips typographus L.虚拟模型构建方法研究

本文以云杉八齿小蠹Ips typographus Linnaeus为例,经标本选取,观察虫体整体形态,绘制整体结构草图,电子显微镜观察局部、得到局部数字图像,分别建立虫体每一部分的高精度细节。把模型每部分拼装在一起组成整体模型,构建出了云杉八齿小蠹三维虚拟昆虫数字化模型。     

SDN中基于KMOBPSO的高可靠性控制器部署算法

针对SDN中控制器系统的单节点故障问题,兼顾系统成本和系统时延,应用N+1冗余备份模型来提高SDN控制器部署的可靠性,并将其抽象为多目标优化问题.同时,提出了一种融合K-means聚类算法和遗传算子的多目标二进制粒子群算法——KMOBPSO算法,以求解SDN控制器高可靠性部署问题的解.仿真结果表明,所提算法具有求解精度高、分布均匀、沿Pareto前沿面覆盖广的特点,能够显著提高SDN中控制器部署的可靠性.     

Novel Bi-Doped Amorphous SnOx Nanoshells for Efficient Electrochemical CO2 Reduction into Formate at Low Overpotentials

Engineering novel Sn-based bimetallic materials could provide intriguing catalytic properties to boost the electrochemical CO₂ reduction. Herein, the first synthesis of homogeneous Sn_1−xBi_x alloy nanoparticles (x up to 0.20) with native Bi-doped amorphous SnO_x shells for efficient CO₂ reduction is reported. The Bi-SnO_x nanoshells boost the production of formate with high Faradaic efficiencies (>90%) over a wide potential window (−0.67 to −0.92 V vs RHE) with low overpotentials, outperforming current tin oxide catalysts. The state-of-the-art Bi-SnO_x nanoshells derived from Sn_0.80Bi_0.20 alloy nanoparticles exhibit a great partial current density of 74.6 mA cm⁻² and high Faradaic efficiency of 95.8%. The detailed electrocatalytic analyses and corresponding density functional theory calculations simultaneously reveal that the incorporation of Bi atoms into Sn species facilitates formate production by suppressing the formation of H₂ and CO.