Engineering carbon quantum dots for photomediated theranostics

Carbon quantum dots (CQDs) have emerged as potential alternatives to classical metal-based semiconductor quantum dots (QDs) due to the abundance of their precursors, their ease of synthesis, high biocompatibility, low cost, and particularly their strong photoresponsiveness, tunability, and stability. Light is a versatile, tunable stimulus that can provide spatiotemporal control. Its interaction with CQDs elicits interesting responses such as wavelength-dependent optical emissions, charge/electron transfer, and heat generation, processes that are suitable for a range of photomediated bioapplications. The carbogenic core and surface characteristics of CQDs can be tuned through versatile engineering strategies to endow specific optical and physicochemical properties, while conjugation with specific moieties can enable the design of targeted probes. Fundamental approaches to tune the responses of CQDs to photo-interactions and the design of bionanoprobes are presented, which enable biomedical applications involving diagnostics and therapeutics. These strategies represent comprehensive platforms for engineering multifunctional probes for nanomedicine, and the design of QD probes with a range of metal-free and emerging 2D materials.

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Building 2D quasicrystals from 5-fold symmetric corannulene molecules

Nano Research - The formation of long-range ordered aperiodic molecular films on quasicrystalline substrates is a new challenge that provides an opportunity for further surface functionalization....     

Symmetry in scalar field topology

Study of symmetric or repeating patterns in scalar fields is important in scientific data analysis because it gives deep insights into the properties of the underlying phenomenon. Though geometric symmetry has been well studied within areas like shape processing, identifying symmetry in scalar fields has remained largely unexplored due to the high computational cost of the associated algorithms. We propose a computationally efficient algorithm for detecting symmetric patterns in a scalar field distribution by analysing the topology of level sets of the scalar field. Our algorithm computes the contour tree of a given scalar field and identifies subtrees that are similar. We define a robust similarity measure for comparing subtrees of the contour tree and use it to group similar subtrees together. Regions of the domain corresponding to subtrees that belong to a common group are extracted and reported to be symmetric. Identifying symmetry in scalar fields finds applications in visualization, data exploration, and feature detection. We describe two applications in detail: symmetry-aware transfer function design and symmetry-aware isosurface extraction.     

The Effectiveness of Short Message Service for Communication With Concerns of Privacy Protection and Conflict Avoidance

Why would people use Short Message Service (SMS) to say something they would not say in person? There is a trend that SMS is becoming more and more popular because it facilitates more extended modes of communications. Using technology acceptance model, we hypothesize the attitude of SMS would be influenced by its perceived effectiveness for communications, perceived ease of use, and subjective norm. Besides the special aspects of communications, conflict avoidance and privacy protection will enforce the impact of perceived effectiveness of SMS for communication. We investigated 953 SMS users and the results support most of our hypotheses. Furthermore, our analyses also show there are differences between females and males on the influence mechanism behind their attitude towards SMS.     

Packing spherical discrete elements for large scale simulations

We introduce a new geometric method to generate sphere packings with restricted overlap values. Sample generation is an important, but time-consuming, step that precedes a calculation performed with the discrete element method (DEM). At present, there does not exist any software dedicated to DEM which would be similar to the mesh software that exists for finite element methods (FEM). A practical objective of the method is to build very large sphere packings (several hundreds of thousands) in a few minutes instead of several days as the current dynamic methods do. The developed algorithm uses a new geometric procedure to position very efficiently the polydisperse spheres in a tetrahedral mesh. The algorithm, implemented into YADE-OPEN DEM (open-source software), consists in filling tetrahedral meshes with spheres. In addition to the features of the tetrahedral mesh, the input parameters are the minimum and maximum radii (or their size ratio), and the magnitude of authorized overlaps. The filling procedure is stopped when a target solid fraction or number of spheres is reached. Based on this method, an efficient tool can be designed for DEMs used by researchers and engineers. The generated packings can be isotropic and the number of contacts per sphere is very high due to its geometric procedure. In this paper, different properties of the generated packings are characterized and examples from real industrial problems are presented to show how this method can be used. The current C++ version of this packing algorithm is part of YADE-OPEN DEM [20] available on the web (https://yade-dem.org).     

Geometric Representation of Graphs in Low Dimension Using Axis Parallel Boxes

An axis-parallel k-dimensional box is a Cartesian product R ₁×R ₂×???×R _k where R _i (for 1≤i≤k) is a closed interval of the form [a _i ,b _i ] on the real line. For a graph G, its boxicity box?(G) is the minimum dimension k, such that G is representable as the intersection graph of (axis-parallel) boxes in k-dimensional space. The concept of boxicity finds applications in various areas such as ecology, operations research etc. A number of NP-hard problems are either polynomial time solvable or have much better approximation ratio on low boxicity graphs. For example, the max-clique problem is polynomial time solvable on bounded boxicity graphs and the maximum independent set problem for boxicity d graphs, given a box representation, has a $\lfloor 1+\frac{1}{c}\log n\rfloor^{d-1}An axis-parallel k-dimensional box is a Cartesian product R ₁×R ₂×⋅⋅⋅×R _k where R _i (for 1≤i≤k) is a closed interval of the form [a _i ,b _i ] on the real line. For a graph G, its boxicity box (G) is the minimum dimension k, such that G is representable as the intersection graph of (axis-parallel) boxes in k-dimensional space. The concept of boxicity finds applications in various areas such as ecology, operations research etc. A number of NP-hard problems are either polynomial time solvable or have much better approximation ratio on low boxicity graphs. For example, the max-clique problem is polynomial time solvable on bounded boxicity graphs and the maximum independent set problem for boxicity d graphs, given a box representation, has a ?1+\frac1clogn?^d-1\lfloor 1+\frac{1}{c}\log n\rfloor^{d-1} approximation ratio for any constant c≥1 when d≥2. In most cases, the first step usually is computing a low dimensional box representation of the given graph. Deciding whether the boxicity of a graph is at most 2 itself is NP-hard.