AutoBar: Automatic Barrier Coverage Formation for Danger Keep Out Applications in Smart City.

Barrier coverage is a fundamental application in wireless sensor networks, which are widely used for smart cities. In applications, the sensors form a barrier for the intruders and protect an area through intrusion detection. In this paper, we study a new branch of barrier coverage, namely warning barrier coverage (WBC). Different from the classic barrier coverage, WBC has the inverse protect direction, which moves the sensors surrounding a dangerous region and protects any unexpected visitors by warning them away from the dangers. WBC holds a promising prospect in many danger keep out applications for smart cities. For example, a WBC can enclose the debris area in the sea and alarm any approaching ships in order to avoid their damaging propellers. One special feature of WBC is that the target region is usually dangerous and its boundary is previously unknown. Hence, the scattered mobile nodes need to detect the boundary and form the barrier coverage themselves. It is challenging to form these distributed sensor nodes into a barrier because a node can sense only the local information and there is no global information of the unknown region or other nodes. To this end, in response to the newly proposed issue of the formation of barrier cover, we propose a novel solution AutoBar for mobile sensor nodes to automatically form a WBC for smart cities. Notably, this is the first work to trigger the coverage problem of the alarm barrier, wherein the regional information is not pre-known. To pursue the high coverage quality, we theoretically derive the optimal distribution pattern of sensor nodes using convex theory. Based on the analysis, we design a fully distributed algorithm that enables nodes to collaboratively move toward the optimal distribution pattern. In addition, AutoBar is able to reorganize the barrier even if any node is broken. To validate the feasibility of AutoBar, we develop the prototype of the specialized mobile node, which consists of two kinds of sensors: one for boundary detection and another for visitor detection. Based on the prototype, we conduct extensive real trace-driven simulations in various smart city scenarios. Performance results demonstrate that AutoBar outperforms the existing barrier coverage strategies in terms of coverage quality, formation duration, and communication overhead.

eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity.

With the development of computer technology, computer-aided drug design (CADD) has become an important means for drug research and development, and its representative method is virtual screening. Various virtual screening platforms have emerged in an endless stream and play great roles in the field of drug discovery. With the increasing number of compound molecules, virtual screening platforms face two challenges: low fluency and low visibility of software operations. In this article, we present an integrated and graphical drug design software eSHAFTS based on three-dimensional (3D) molecular similarity to overcome these shortcomings. Compared with other software, eSHAFTS has four main advantages, which are integrated molecular editing and drawing, interactive loading and analysis of proteins, multithread and multimode 3D molecular similarity calculation, and multidimensional information visualization. Experiments have verified its convenience, usability, and reliability. By using eSHAFTS, various tasks can be submitted and visualized in one desktop software without locally installing any dependent plug-ins or software. The software installation package can be downloaded for free at http://lilab.ecust.edu.cn/home/resource.html. © 2019 Wiley Periodicals, Inc.

Preparation of fibre-reinforced PLA-collagen@PLA-PCL@PCL-gelatin three-layer vascular graft by EDC/NHS cross-linking and its performance study.

In this study, a three-layer small diameter artificial vascular graft with a structure similar to that of natural blood vessels was first constructed by triple-step electrospinning technology, in which polylactic acid (PLA) and collagen (COL) were used for the inner layer, polylactic acid and polycaprolactone (PCL) was used for the middle layer and polycaprolactone and gelatin was used for the outer layer. The properties of the artificial vascular graft were adjusted by the EDC/NHS cross-linking agent through the reaction between the collagen or gelatine and EDC/NHS. The mechanical and hydrophilic properties of the cross-linked artificial vessels were substantially enhanced, with a maximum stress of 9.56 MPa in the axial direction and 9.31 MPa in the radial direction for the P/C (4:1) vascular graft, which exceeded that of many textile-based and natural vascular grafts. The increased hydrophilicity of the inner layer of the vessel before crosslinking was due to the addition of COL, and the inner layer of the artificial vessel after crosslinking had a substantial increase in hydrophilicity due to the production of a more hydrophilic urea derivative. The increased hydrophilicity led to easier cell adhesion to the inner layer of the artificial vessel, especially for the P/C (2:1) vascular graft, where the cell proliferation rate and adhesion were high due to COL incorporation and cross-linking. The three-layer vascular grafts studied did not lead to haemolysis. Therefore, the EDC/NHS cross-linked three-layer vascular graft had good mechanical properties, hydrophilicity, anticoagulation and could enhance cell adhesion and proliferation.

Preparation and biological properties of ZnO/hydroxyapatite/chitosan-polyethylene oxide@gelatin biomimetic composite scaffolds for bone tissue engineering.

To imitate the composition of natural bone and further improve the biological property of the materials, ZnO/hydroxyapatite/chitosan-polyethylene oxide@gelatin (ZnO/HAP/CS-PEO@GEL) composite scaffolds were developed. The core-shell structured chitosan-polyethylene oxide@gelatin (CS-PEO@GEL) nanofibers which could form the intramolecular hydrogen bond and achieve an Arg-Gly-Asp (RGD) polymer were first prepared by coaxial electrospinning to mimic the extracellular matrix. To further enhance biological activity, hydroxyapatite (HAP) was grown on the surface of the CS-PEO@GEL nanofibers using chemical deposition and ZnO particles were then evenly distributed on the surface of the above composite materials using RF magnetron sputtering. The SEM results showed that chemical deposition and magnetron sputtering did not destroy the three-dimensional architecture of materials, which was beneficial to cell growth. The cell compatibility and proliferation of MG-63 cells on ZnO/HAP/CS-PEO@GEL composite scaffolds were superior to those on CS-PEO@GEL and HAP/CS-PEO@GEL composite scaffolds. An appropriate amount of ZnO sputtering could promote the adhesion of cells on the composite nanofibers. The structure of bone tissue could be better simulated both in composition and in the microenvironment, which provided a suitable environment for cell growth and promoted the proliferation of MG-63 cells. The biomimetic ZnO/HAP/CS-PEO@GEL composite scaffolds were promising materials for bone tissue engineering.

Construction of PCL-collagen@PCL@PCL-gelatin three-layer small diameter artificial vascular grafts by electrospinning.

The demand for artificial vascular grafts in clinical applications is increasing, and it is urgent to design a tissue-engineered vascular graft with good biocompatibility and sufficient mechanical strength. In this study, three-layer small diameter artificial vascular grafts were constructed by electrospinning. Polycaprolactone (PCL) and collagen (COL) were used as the inner layer to provide good biocompatibility and cell adhesion, the middle layer was PCL to improve the mechanical properties, and gelatin (GEL) and PCL were used to construct the outer layer for further improving the mechanical properties and biocompatibility of the vascular grafts in the human body environment. The electrospun artificial vascular graft had good biocompatibility and mechanical properties. Its longitudinal maximum stress reached 2.63 ± 0.12 MPa, which exceeded the maximum stress that many natural blood vessels could withstand. The fiber diameter of the vascular grafts was related to the proportion of components that made up the vascular grafts. In the inner structure of the vascular grafts, the hydrophilicity of the vascular grafts was enhanced by the addition of COL to the PCL, and human umbilical vein endothelial cells (HUVECs) adhered more easily to the vascular grafts. In particular, the cytocompatibility and proliferation of HUVECs on the scaffold with an inner structure PCL:COL = 2:1 was superior to other ratios of vascular grafts. The vascular grafts did not cause hemolysis of red blood cells. Thus, the bionic PCL-COL@PCL@PCL-GEL composite graft is a promising material for vascular tissue engineering.

An Improved Receptor-Based Pharmacophore Generation Algorithm Guided by Atomic Chemical Characteristics and Hybridization Types.

Pharmacophore-based virtual screening is an important and leading compound discovery method. However, current pharmacophore generation algorithms suffer from difficulties, such as ligand-dependent computation and massive extractive chemical features. On the basis of the features extracted by the five probes in Pocket v.3, this paper presents an improved receptor-based pharmacophore generation algorithm guided by atomic chemical characteristics and hybridization types. The algorithm works under the constraint of receptor atom hybridization types and space distance. Four chemical characteristics (H-A, H-D, and positive and negative charges) were extracted using the hybridization type of receptor atoms, and the feature point sets were merged with 3 Å space constraints. Furthermore, on the basis of the original extraction of hydrophobic characteristics, extraction of aromatic ring chemical characteristics was achieved by counting the number of aromatics, searching for residual base aromatic ring, and determining the direction of aromatic rings. Accordingly, extraction of six kinds of chemical characteristics of the pharmacophore was achieved. In view of the pharmacophore characteristics, our algorithm was compared with the existing LigandScout algorithm. The results demonstrate that the pharmacophore possessing six chemical characteristics can be characterized using our algorithm, which features fewer pharmacophore characteristics and is ligand independent. The computation of many instances from the directory of useful decoy dataset show that the active molecules and decoy molecules can be effectively differentiated through the presented method in this paper.