Molecular analysis of human adipocytes during glucose restriction and (re)feeding:A proteomics approach towards understanding weight regain

Studies in this thesis investigated the molecular changes of human in vitro adipocytes during glucose restriction (GR) and (re)feeding (RF) by using a proteomics approach aiming to better understand the weight cycling effect, more specifically the weight regain. In addition, the relation between several parameters of the glucose/lipid metabolism, including adipocyte volume, with weight regain was studied in vivo. Meanwhile, advantages and disadvantages of the in vitro hypertrophic adipocyte model as well as the GR plus RF model is provided. The results of our in vitro and in vivo research, including the ECM remodelling, TG as well as IR are discussed in relation to their influence on weight regain. This insight can be used as a valuable first step to obtain leads on possible proteins for prevention of weight regain

CARBON-BASED COMPLEX STRUCTURE AND MODEL DEVELOPMENT

Growing concerns about the environment and energy crisis prompt a search for effective carbon-based materials due to their low cost, renewability, sustainability, easy accessibility and excellent properties. We study the model development, structure and properties of graphene oxide, cellulose and their nanocomposites in order to obtain a better fundamental understanding of carbon complex materials and construct a structure-property relationship via reactive molecular dynamics simulations. In chapter 3, the model development of GO is studied. Theoretical GO models developed so far present a good description of its chemical structure. However, when it comes to the structural properties, such as the size and distribution of vacancy defects, the curvature (or roughness), there exist significant gaps between computational models and experimentally synthesized GO materials. We carry out reactive molecular dynamics simulations and use experimental characteristics to fine tune theoretical GO models. Attentions have been paid to the vacancy defects, the distribution and hybridization of carbon atoms, and the overall C/O ratio of GO. The GO models proposed in this work have been significantly improved to represent quantitative structural details of GO materials synthesized via the modified Hummers method. The temperature-programmed protocol and the computational post analyses of Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy, vacancy size and curvature distribution, are of general interest to a broad audience working on GO structures from other synthesis methods and other two-dimensional materials and their composites. In Chapter 4, we outline the state-of-the-art understanding of cellulose structures, and discuss in details cellulose interactions, dissolutions and decompositions via computational methods of molecular dynamics (MD) and reactive molecular dynamics (RxMD) simulations. In addition, cellulose characterizations, beneficial to validate and support computational results, are also briefly summarized. Such a state-of-the-art account of atomistic computational studies could inspire interdisciplinary collaborations, optimize process design, promote cellulose-based materials for emerging important applications and shed a light on fundamental understandings of similar systems of biomolecules, polymers and surfactants. In Chapter 5, we investigate the fundamental mechanism of how cellulose structure transforms under pyrolysis conditions and the practical guideline of how cellulose properties are fined tuned accordingly. A series of reactive molecular dynamics calculations has been designed to reveal the structural evolution of crystalline cellulose under pyrolysis treatments. Through the detailed analysis of cellulose configuration change, hydrogen bonding network variation, reaction and redistribution of carbon, oxygen and hydrogen elements, and Young’s modulus, a molecule level insight of crystalline cellulose and its structural evolution under pyrolysis conditions has been constructed via reactive molecular dynamics simulations. We anticipate those theoretical results could effectively promote the design, the manufacture, and the optimization of cellulose based materials for relevant emerging applications. In Chapter 6, we combined the results from previous chapters and explore a new composite material that incorporating amorphous cellulose chains on GO surface, which is barely reported by recent publications. A series of RxMD simulations have been carried out to reveal the mechanical properties of pure GO and cellulose-GO nanocomposites. Two different cellulose-GO composites are constructed, namely, cellulose (monolayer)-GO model and cellulose (multilayer)-GO model. The tensile deformation, Young’s modulus and mechanical strength of GO and cellulose-GO composites have been recorded and calculated under the temperature of 300, 500 800 K, with two strain rates of 10-4/fs and 10-5/fs. We hope the GO model with the simultaneously description to both structural and chemical properties can provide a new fundamental understanding of the mechanical performance of GO and cellulose-GO composites, and could add some advancement to existing knowledge of carbon-based materials

Energy-Efficient Design of Satellite-Terrestrial Computing in 6G Wireless Networks

In this paper, we investigate the issue of satellite-terrestrial computing in the sixth generation (6G) wireless networks, where multiple terrestrial base stations (BSs) and low earth orbit (LEO) satellites collaboratively provide edge computing services to ground user equipments (GUEs) and space user equipments (SUEs) over the world. In particular, we design a complete process of satellite-terrestrial computing in terms of communication and computing according to the characteristics of 6G wireless networks. In order to minimize the weighted total energy consumption while ensuring delay requirements of computing tasks, an energy-efficient satellite-terrestrial computing algorithm is put forward by jointly optimizing offloading selection, beamforming design and resource allocation. Finally, both theoretical analysis and simulation results confirm fast convergence and superior performance of the proposed algorithm for satellite-terrestrial computing in 6G wireless networks