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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 *** addition is a simple method for circumventing these disadvantages to allow further processing and *** this work,computer-aided molecular design tools were developed to design optimal solvents to upgrade bio-oil whilst having low environmental ***,target solvent requirements were translated into measurable physical *** different property prediction models consist different levels of structural information,molecular signature descriptor was used as a common platform to formulate the design *** of the differences in the required structural information of different property prediction models,signatures of different heights were needed in formulating the design *** to the combinatorial nature of higher-order signatures,the complexity of a computer-aided molecular design problem increases with the height of ***,a multi-stage framework was developed by developing consistency rules that restrict the number of higher-order ***,phase stability analysis was conducted to evaluate the stability of the solvent-oil *** 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

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 *** structural,morphological,optical,electrical and electrochemical properties have been investigated in order to serve as an effective hole-transporting layer in solid-state solar *** 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/*** 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

Interfacial engineering of metallic rhodium by thiol modification approach for ambient electrosynthesis of ammonia

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Nano Research 2022年第10期15卷 8826-8835页

作者： Meng Jin Xinyuan Zhang Xian Zhang Hongjian Zhou Miaomiao Han Yunxia Zhang Guozhong Wang Haimin Zhang Laboratory of Materials Physics Centre for Environmental and Energy NanomaterialsAnhui Key Laboratory of Nanomaterials and NanotechnologyCAS Center for Excellence in NanoscienceInstitute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China University of Science and Technology of China Hefei 230026China School of Science Huzhou UniversityHuzhou 313000China

Here we report a vapor-phase reaction approach to fabricate rhodium(I)-dodecanethiol complex coated on carbon fiber cloth(Rh(I)-SC_(12)H_(25)/CFC),followed by low-temperature pyrolysis to achieve dodecanethiol modified Rh(Rh@SC_(12)H_(2)5/CFC)for electrocatalytic nitrogen reduction reaction(NRR).The results demonstrate that after pyrolysis for 0.5 h at 150℃,the obtained Rh@SC_(12)H_(2)5/CFC-0.5 exhibits excellent NRR activity with an NH3 yield rate of 121.2±6.6μg∙h^(−1)∙cm^(−2)(or 137.7±7.5μg∙h^(−1)∙mgRh^(−1))and a faradaic efficiency(FE)of 51.6%±3.8%at−0.2 V(***)in 0.1 M Na_(2)SO_(4).The theoretical calculations unveil that the adsorption of dodecanethiol on the hollow sites of Rh(111)plane is thermodynamically favorable,effectively regulating the electronic structure and surface wettability of metallic ***,the dodecanethiol modification on Rh(111)obviously decreases the surface H*coverage,thus inhibiting the competitive hydrogen evolution reaction and concurrently reducing the electrocatalytic NRR energy barrier.

关键词： dodecanethiol modification electrocatalysis low temperature pyrolysis nitrogen reduction reaction surface H*coverage

Recent developments in self-powered smart chemical sensors for wearable electronics

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Nano Research 2021年第11期14卷 3669-3689页

作者： Aaryashree Surjit Sahoo Pravin Walke Saroj Kumar Nayak Chandra Sekhar Rout Dattatray J.Late Shibaura Institute of Technology Koto-CityTokyo135-8548Japan School of Basic Sciences Indian Institute of Technology BhubaneswarJatniOdisha752050India National centre for nanosciences and nanotechnology University of MumbaiMumbaiMaharashtra400098India centre for Nano and Material Sciences Jain UniversityRamanagaramBangalore562112India centre for nanoscience&nanotechnology Amity University MaharashtraMumbai-Pune ExpresswayBhatanPost—SomathnePanvelMaharashtra410206India

The next generation of electronics technology is purely going to be based on wearable sensing systems. Wearable electronic sensors that can operate in a continuous and sustainable manner without the need of an external power sources, are essential for portable and mobile electronic applications. In this review article, the recent progress and advantages of wearable self-powered smart chemical sensors systems for wearable electronics are presented. An overview of various modes of energy conversion and storage technologies for self-powered devices is provided. Self-powered chemical sensors (SPCS) systems with integrated energy units are then discussed, separated as solar cell-based SPCS, triboelectric nano-generators based SPCS, piezoelectric nano-generators based SPCS, energy storage device based SPCS, and thermal energy-based SPCS. Finally, the outlook on future prospects of wearable chemical sensors in self-powered sensing systems is addressed.

关键词： chemical sensors self-powered wearable electronics smart sensors

Metal to insulator transition for conducting polymers in plasmonic nanogaps

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Light(Science & Applications) 2024年第1期13卷 23-32页

作者： Yuling Xiong Rohit Chikkaraddy Charlie Readman Shu Hu Kunli Xiong Jialong Peng Qianqi Lin Jeremy J.Baumberg NanoPhotonics centre Cavendish LaboratoryDepartment of PhysicsUniversity of CambridgeCambridgeCB30HEUK School of Physics&Astronomy University of BirminghamEdgbastonBirminghamUK College of Advanced Interdisciplinary Studies and Hunan Provincial Key Laboratory of Novel Nano-Optoelectronic Information Materials and Devices National University of Defense TechnologyChangshaChina Hybrid Materials for Opto-Electronics Group Department of Molecules and MaterialsMESA+Institute for NanotechnologyMolecules Center and Center for Brain-Inspired Nano SystemsFaculty of Science and TechnologyUniversity of TwenteEnschedeNetherlands

Conjugated polymers are promising material candidates for many future applications in flexible displays, organic circuits, and sensors. Their performance is strongly affected by their structural conformation including both electrical and optical anisotropy. Particularly for thin layers or close to crucial interfaces, there are few methods to track their organization and functional behaviors. Here we present a platform based on plasmonic nanogaps that can assess the chemical structure and orientation of conjugated polymers down to sub-10 nm thickness using light. We focus on a representative conjugated polymer, poly(3,4-ethylenedioxythiophene) (PEDOT), of varying thickness (2-20 nm) while it undergoes redox in situ. This allows dynamic switching of the plasmonic gap spacer through a metal-insulator transition. Both dark-field (DF) and surface-enhanced Raman scattering (SERS) spectra track the optical anisotropy and orientation of polymer chains close to a metallic interface. Moreover, we demonstrate how this influences both optical and redox switching for nanothick PEDOT devices.

关键词： transition insulator conjugated

A special issue for the 20^(th) anniversary of National Center for nanoscience and Technology

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Nano Research 2023年第12期16卷 12881-12882页

作者： Qing Dai Guangjun Nie Zhiyong Tang Yuliang Zhao CAS Key Laboratory of Nanophotonic Materials and Devices National Center for Nanoscience and TechnologyBeijing 100190China CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety CAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyBeijing 100190China CAS Key Laboratory of Nanosystem and Hierarchical Fabrication CAS Center for Excellence in NanoscienceNational Centre for Nanoscience and TechnologyBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

National Center for nanoscience and Technology(NCNST),China,established in December 2003,is co-founded by the Chinese Academy of Sciences(CAS)and the Ministry of Education as an institution dedicated to fundamental and applied researches in the field of nanoscience and technology,especially those with important potential *** is operated under the supervision of the Governing Board and aims to become a world-class research center,as well as public technological platform and young talents training center in the field,and to act as an important bridge for international academic exchange and *** NCNST currently has three CAS Key Laboratories:the CAS Key Laboratory for Biological Effects of Nanomaterials and Nanosafety,the CAS Key Laboratory for Standardization and Measurement for nanotechnology and the CAS Key Laboratory for Nanosystem and Hierarchical *** 2020,the CAS Key Laboratory of Nanophotonic Materials and Devices started ***,there are Division of nanotechnology Development,Nanofabrication Laboratory,Intelligent Nanosensing Laboratory and Theoretical Laboratory.

关键词： field exchange collaboration

A Review of Graphene Oxide Crosslinking as Enhanced Corrosion Shield Application

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Journal of Renewable Materials 2023年第6期11卷 2745-2770页

作者： Nurul Anis Athirah Ab Aziz Chin Wei Lai Boon Hoong Ong nanotechnology&Catalysis Research centre Institute for Advanced StudiesUniversity of MalayaKuala Lumpur50603Malaysia

Nowadays,corrosion is not only undesirable,but it also has a significant influence on the industrial sectors and technical innovations that have demand for *** global economic damage is expected to reach$2.5 trillion,equivalent to more than 3.4%of the world’s GDP in *** is linked with significant financial harm,manufacturing pollution,and safety *** electrochemical process primarily induces metal corrosion at the metalelectrolyte interface region,caused by steel oxidation and the reduction of oxygen,protons,and ***,organic and epoxy coatings can be applied as protective ***,it can prevent metal corrosion in various fields due to its unique properties,like the ability to manage its curing process over a long *** review paper focuses on improving the physicomechanical properties of modified graphene oxide(GO)coating by attaching a polymer,epoxy resin(EP).Moreover,we reviewed recent achievements for different methods in minimizing a corrosion ***,we considered the modification of epoxy resin using the curing agent as a bridge to the polymer to strengthen the functionalization of nanocomposites during the ***,we discussed the relationship between the modified GO/EP anticorrosive coating and physicomechanical properties since it is currently being questioned and remains *** a result,extensive studies on the mechanism of synthesis of the modified GO/EP anticorrosive coating were highlighted.

关键词： Corrosion anticorrosive graphene polymer epoxy resins

A multiple-labelling method for cells using Au nanoparticles with different shapes

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Chinese Science Bulletin 2013年第21期58卷 2640-2645页

作者： ZHANG Ke FENG JianTao SUN QuanMei JIN Lin LI Jing WU XiaoChun HAN Dong Chinese Academy of Sciences Key Laboratory of Standardisation and Measurement for nanotechnology National Centre for Nanoscience and Technology Laboratory for Biological Effects of Nanomaterials and Nanosafety National Centre for Nanoscience and Technology

An important and difficult issue is simultaneously identifying the detailed locations of various molecules on the cell surface, as this identification requires a synergistic effect between more than one molecule in a living cell. Au nanoparticles (NPs) with different shapes can be readily recognised under low vacuum scanning electron microscopy (lvSEM). Anisotropic Au nanorods (NRs) possess unique surface plasmon resonance (SPR) properties, which can be further utilised for two photon luminescence (TPL) and other optical imaging techniques. In this paper, Au NRs and Au nanooctahedra (Au NOs) are introduced as biomarkers for ICAM-1 and Integrin β1. Combined with the advantages of lvSEM, this multiple-labelling method is a new method for studying the interactions between specific, functional molecules.

关键词：金纳米粒子细胞表面形状扫描电子显微镜标签表面等离激元 ICAM-1 自然保护区

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 *** 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 *** 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 *** nanotheranostic system was further evaluated for the targeting property,drug release kinetics,hyperthermia and cytotoxicity against developed CTC model 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 *** 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