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Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular design framework

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Frontiers of Chemical Science and Engineering 2022年第2期16卷 168-182页

作者： Jia Wen Chong Suchithra Thangalazhy-Gopakumar Kasturi Muthoosamy Nishanth G.Chemmangattuvalappil Department of Chemical and Environmental Engineering University of Nottingham MalaysiaSelangor 43500Malaysia nanotechnology Research Group Centre of Nanotechnology and Advanced MaterialsUniversity of Nottingham MalaysiaSelangor 43500Malaysia

Direct application of bio-oil from fast pyrolysis as a fuel has remained a challenge due to its undesirable attributes such as low heating value,high viscosity,high corrosiveness and storage instability.Solvent addition is a simple method for circumventing these disadvantages to allow further processing and storage.In this work,computer-aided molecular design tools were developed to design optimal solvents to upgrade bio-oil whilst having low environmental impact.Firstly,target solvent requirements were translated into measurable physical properties.As different property prediction models consist different levels of structural information,molecular signature descriptor was used as a common platform to formulate the design problem.Because of the differences in the required structural information of different property prediction models,signatures of different heights were needed in formulating the design problem.Due to the combinatorial nature of higher-order signatures,the complexity of a computer-aided molecular design problem increases with the height of signatures.Thus,a multi-stage framework was developed by developing consistency rules that restrict the number of higher-order signatures.Finally,phase stability analysis was conducted to evaluate the stability of the solvent-oil blend.As a result,optimal solvents that improve the solvent-oil blend properties while displaying low environmental impact were identified.

关键词： computer-aided molecular design bio-oil additives molecular signature descriptor

Self-assembled multifunctional nanotheranostics against circulating tumor clusters in metastatic breast cancer

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Acta Pharmaceutica Sinica B 2023年第4期13卷 1711-1725页

作者： Ramya Dhandapani Swaminathan Sethuraman Uma Maheswari Krishnan Anuradha Subramanian Centre for Nanotechnology&Advanced Biomaterials School of Chemical&BiotechnologySASTRA Deemed UniversityThanjavur 613401India

Circulating tumor clusters(CTC)disseminating from the primary tumor are responsible for secondary tumor formation where the conventional treatments such as chemotherapy and radiotherapy does not prevent the metastasis at locally advanced stage of breast cancer.In this study,a smart nanotheranostic system has been developed to track and eliminate the CTCs before it can colonize at a new site,which would reduce metastatic progression and increase the five-year survival rate of the breast cancer patients.Targeted multiresponsive(magnetic hyperthermia and pH)nanomicelles incorporated with NIR fluorescent superparamagnetic iron oxide nanoparticles were developed based on self-assembly for dual modal imaging and dual toxicity for spontaneous killing of CTCs in blood stream.A heterogenous tumor clusters model was developed to mimic the CTCs isolated from breast cancer patients.The nanotheranostic system was further evaluated for the targeting property,drug release kinetics,hyperthermia and cytotoxicity against developed CTC model in vitro.In vivo model in BALB/c mice equivalent to stageⅢandⅣhuman metastatic breast cancer was developed to evaluate the biodistribution and therapeutic efficacy of micellar nanotheranostic system.Reduced CTCs in blood stream and low distant organ metastasis after treatment with the nanotheranostic system demonstrates its potential to capture and kill the CTCs that minimize the secondary tumor formation at distant sites.

关键词： Self-assembly Hybrid nanotheranostic system Circulating tumor clusters Advanced breast cancer Cancer stem cells Heterogenous clusters SPIONs NIR Metastasis CD44

Stem cells for spinal cord injuries bearing translational potential

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Neural Regeneration Research 2018年第1期13卷 35-42页

作者： Kyriakos Dalamagkas Magdalini Tsintou Alexander M.Seifalian Department of Tissue Engineering Harvard Medical School nanotechnology & Regenerative Medicine centre Division of Surgery and Interventional Science University College London nanotechnology & Regenerative Medicine Commercialisation centre (Ltd). The London Bio Science Innovation Centre

Spinal cord injury （SCI） is a highly debilitating neurological disease, which still lacks effective treatment strategies, causing significant financial burden and distress to the affected families. Nevertheless, nanotechnology and regenerative medicine strategies holding promise for the development of novel therapies that would reach from bench to bedside to serve the SCI patients. There has already been significant progress in the field of cell-based therapies, with the clinical application for SCI, currently in phase II of the clinical trial. Stem cells （e.g., induced pluripotent stem cells, fetal stem cells, human embryonic stem cells, and olfactory ensheathing cells） are certainly not to be considered the panacea for neural repair but, especially when combined with rehabilitation or other combinatorial approaches using the help of nanotechnology, they seem to be the source of some of the most promising and clinical translatable cell-based therapies that could help solving impactful problems on neural repair.

关键词： spinal cord injury stem cells neuroregeneration plasticity repair

Enhance of TiO_2 dopants incorporated reduced graphene oxide via RF magnetron sputtering for efficient dye-sensitised solar cells

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Rare Metals 2018年第11期37卷 919-928页

作者： Foo Wah Low Chin Wei Lai Kian Mun Lee Joon Ching Juan nanotechnology and Catalysis Research centre Institute Postgraduate Studies University of Malaya

In particular, the dye-sensitised solar cells(DSSCs) have a high potential in the rational energy conversion efficiency to secure our sustainable energy source.In the present study, advanced radio frequency(RF) magnetron sputtering technique was applied to incorporate titanium dioxide(TiO) dopants into reduced graphene oxide(rGO) nanosheet for improving the power conversion efficiency(PCE) of DSSCs device. An optimum TiOcontent incorporated onto rGO nanosheet plays an important role in improving the PCE of DSSCs by minimising the recombination losses of photo-induced charge carriers.Based on the results obtained, 40-s sputtering duration for incorporating TiOdopants onto rGO nanosheet exhibits a maximum PCE of 8.78% than that of pure rGO film(0.68%). In fact, the presence of optimum content of TiOdopants within rGO nanosheet could act as mediators for efficient separation photo-induced charge carriers. However, the excessive of sputtering duration(e.g. 60 s) of TiOdopants onto rGO nanosheet results higher charge recombination and lowers the PCE of DSSCs(5.39%).

关键词： Dye-sensitised solar cell RF magnetron sputtering Titanium dioxide Reduced graphene oxide

Optoelectronic and electrochemical behaviour of γ-CuI thin films prepared by solid iodination process

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Progress in Natural Science:Materials International 2019年第5期29卷 533-540页

作者： Karthik Kumar Chinnakutti Vengatesh Panneerselvam Durai Govindarajan Ajith kumar Soman Kuppusami Parasuraman Shyju Thankaraj Salammal centre of Excellence for Energy Research Sathyabama Institute of Science and Technology centre for Nanoscience and nanotechnology Sathyabama Institute of Science and Technology

A simple and efficient solid iodination method has been proposed for the fabrication of p-type γ-CuI thin films.The structural,morphological,optical,electrical and electrochemical properties have been investigated in order to serve as an effective hole-transporting layer in solid-state solar cells.The fabricated films exhibited p-type conductivity with resistivity of 7.0×10;Ωcm,the hole concentration of ～1.13×10;cm;and the mobility of 18.34 cm;V;s;.The cyclic voltammetry result shows a maximum specific capacitance of 43 mF/cm;at a scan rate of 10 mV/s.The cyclic stability and capacitance retention were found to be 99.7%.These findings demonstrate that γ-CuI film can be a potential candidate for multiple applications,such as a hole transporting material for solid-state solar cells and electrochemical supercapacitor.

关键词： Copper iodide Solid iodination Hole mobility Cyclic voltammetry

Advances in haemostatic sponges: Characteristics and the underlying mechanisms for rapid haemostasis

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Bioactive Materials 2023年第9期27卷 231-256页

作者： Akriti Nepal Huong D.N.Tran Nam-Trung Nguyen Hang Thu Ta Queensland Micro-and nanotechnology centre Griffith UniversityNathanQueensland4111Australia Australian Institute for Bioengineering and nanotechnology University of QueenslandSt LuciaQueensland4072Australia Bioscience Discipline School of Environment and ScienceGriffith UniversityNathanQueensland4111Australia

In traumatized patients, the primary cause of mortality is uncontrollable continuous bleeding and unexpected intraoperative bleeding which is likely to increase the risk of complications and surgical failure. High expansion sponges are effective clinical practice for the treatment of wound bleeding (irregular/deep/narrow) that are caused by capillaries, veins and even arterioles as they possess a high liquid absorption ratio so can absorb blood platelets easily in comparison with traditional haemostasis treatments, which involve compression, ligation, or electrical coagulation etc. When in contact with blood, haemostatic sponges can cause platelet adhesion, aggregation, and thrombosis, preventing blood from flowing out from wounds, triggering the release of coagulation factors, causing the blood to form a stable polymerized fibre protein, forming blood clots, and achieving the goal of wound bleeding control. Haemostatic sponges are found in a variety of shapes and sizes. The aim of this review is to facilitate an overview of recent research around haemostatic sponge materials, products, and technology. This paper reviews the synthesis, properties, and characteristics of haemostatic sponges, together with the haemostasis mechanisms of haemostatic sponges (composite materials), such as chitosan, cellulose, gelatin, starch, graphene oxide, hyaluronic acid, alginate, polyethylene glycol, silk fibroin, synthetic polymers silver nanoparticles, zinc oxide nanoparticles, mesoporous silica nanoparticles, and silica nanoparticles. Also, this paper reviews commercial sponges and their properties. In addition to this, we discuss various in-vitro/in-vivo approaches for the evaluation of the effect of sponges on haemostasis .

关键词： Haemostatic sponge Characteristics Mechanism Haemostasis Nanoparticles

Algorithm-improved high-speed and non-invasive confocal Raman imaging of 2D materials

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National Science Review 2020年第3期7卷 620-628页

作者： Sachin Nair Jun Gao Qirong Yao Michael H.G.Duits Cees Otto Frieder Mugele Physics of Complex Fluids MESA+Institute for NanotechnologyUniversity of Twente Physics of Interfaces and Nanomaterials MESA+ Institute for NanotechnologyUniversity of Twente Medical Cell Bio Physics Tech Med Centre University of Twente

Confocal Raman microscopy is important for characterizing 2 D materials, but its low throughput significantly hinders its applications. For metastable materials such as graphene oxide(GO), the low throughput is aggravated by the requirement of extremely low laser dose to avoid sample damage. Here we introduce algorithm-improved confocal Raman microscopy(ai-CRM), which increases the Raman scanning rate by one to two orders of magnitude with respect to state-of-the-art works for a variety of 2 D materials. Meanwhile, GO can be imaged at a laser dose that is two to three orders of magnitude lower than previously reported, such that laser-induced variations of the material properties can be avoided. ai-CRM also enables fast and spatially resolved quantitative analysis, and is readily extended to 3 D mapping of composite materials. Since ai-CRM is based on general mathematical principles, it is cost-effective, facile to implement and universally applicable to other hyperspectral imaging methods.

关键词： 2D materials graphene graphene oxide confocal Raman microscopy algorithm

Ternary solvent boosts two-dimensional perovskites

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Science Bulletin 2017年第7期62卷 462-463页

作者： Miaoqiang Lyu Lianzhou Wang Nanomaterials centre School of Chemical Engineering and Australian Institute for Bioengineering and NanotechnologyThe University of Queensland

In the past few years,organic–inorganic/inorganic lead halide perovskites,most notably CH3NH3Pb I3and its mixed cation/anion compounds,have attracted tremendous research interests in a wide range of different disciplines,which is largely initialized by their unprecedented success in low-cost and highly efficient solar cells.With certified efficiencies of over 22%in the lab-scale devices,

关键词： Pb Ternary solvent boosts two-dimensional perovskites NH

Perovskite solar modules hit new efficiency record

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Science Bulletin 2017年第19期62卷 1293-1294页

作者： Yang Bai Lianzhou Wang Nanomaterials centre Australian Institute for Bioengineering and Nanotechnology and School of Chemical EngineeringThe University of Queensland

The last few years witnessed exceptional advancement of organohalide perovskite photovoltaics owing to their intriguing optoelectronic properties.The power conversion efficiency(PCE)of the state-of-art lab-scale perov... 详细信息

关键词：太阳能电池钙钛矿组件功率转换效率实验室规模光电特性 PSCs 孔面积