Au-modified three-dimensional In2O3 inverse opals: synthesis and improved performance for acetone sensing toward diagnosis of diabetes

The fabrication of high optical quality inverse opals is challenging, requiring large size, three-dimensional ordered layers of high dielectric constant ratio. In this article, alumina/TiO2–air inverse opals with a 98.2% reflectivity peak at 798 nm having an area of 2 cm2 and a thickness of 17 µm are achieved using a sacrificial self-assembled structure of large thickness, which was produced with minimum fabrication errors by means of an electrospray technique. Using alumina as the first supporting layer enables the deposition of TiO2 at a higher temperature, therefore providing better optical quality.

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Next-Generation Electrochemical Energy Conversion and Storage Based on Three-Dimensional Nanostructures with Improved Performance: Insights and Perspectives

10.1007/978-981-16-5371-1_4 ◽

2021 ◽

pp. 31-41

Author(s):

Shubhadip Paul

Keyword(s):

Energy Conversion ◽

Three Dimensional ◽

Next Generation ◽

Electrochemical Energy Conversion ◽

Energy Conversion And Storage ◽

Improved Performance ◽

And Storage ◽

Electrochemical Energy

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TransformerCPI: improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments

Bioinformatics ◽

10.1093/bioinformatics/btaa524 ◽

2020 ◽

Vol 36 (16) ◽

pp. 4406-4414 ◽

Cited By ~ 3

Author(s):

Lifan Chen ◽

Xiaoqin Tan ◽

Dingyan Wang ◽

Feisheng Zhong ◽

Xiaohong Liu ◽

...

Keyword(s):

Protein Interaction ◽

Three Dimensional ◽

Prediction Performance ◽

Dimensional Structure ◽

Sequence Information ◽

Biological Targets ◽

Interaction Prediction ◽

Protein Interaction Prediction ◽

Improved Performance ◽

Ligand Bias

Abstract Motivation Identifying compound–protein interaction (CPI) is a crucial task in drug discovery and chemogenomics studies, and proteins without three-dimensional structure account for a large part of potential biological targets, which requires developing methods using only protein sequence information to predict CPI. However, sequence-based CPI models may face some specific pitfalls, including using inappropriate datasets, hidden ligand bias and splitting datasets inappropriately, resulting in overestimation of their prediction performance. Results To address these issues, we here constructed new datasets specific for CPI prediction, proposed a novel transformer neural network named TransformerCPI, and introduced a more rigorous label reversal experiment to test whether a model learns true interaction features. TransformerCPI achieved much improved performance on the new experiments, and it can be deconvolved to highlight important interacting regions of protein sequences and compound atoms, which may contribute chemical biology studies with useful guidance for further ligand structural optimization. Availability and implementation https://github.com/lifanchen-simm/transformerCPI.

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Improved performance of stellarator coil design optimization

Journal of Plasma Physics ◽

10.1017/s0022377820000227 ◽

2020 ◽

Vol 86 (2) ◽

Author(s):

Jim-Felix Lobsien ◽

Michael Drevlak ◽

Thomas Kruger ◽

Samuel Lazerson ◽

Caoxiang Zhu ◽

...

Keyword(s):

Stochastic Optimization ◽

Design Optimization ◽

Three Dimensional ◽

Local Maximum ◽

Average Field ◽

Test Case ◽

Coil Design ◽

Applied Optimization ◽

Improved Performance ◽

Coil Shape

Following up on earlier work which demonstrated an improved numerical stellarator coil design optimization performance by the use of stochastic optimization (Lobsien et al., Nucl. Fusion, vol. 58 (10), 2018, 106013), it is demonstrated here that significant further improvements can be made – lower field errors and improved robustness – for a Wendelstein 7-X test case. This is done by increasing the sample size and applying fully three-dimensional perturbations, but most importantly, by changing the design sequence in which the optimization targets are applied: optimization for field error is conducted first, with coil shape penalties only added to the objective function at a later step in the design process. A robust, feasible coil configuration with a local maximum field error of 3.66 % and an average field error of 0.95 % is achieved here, as compared to a maximum local field error of 6.08 % and average field error of 1.56 % found in our earlier work. These new results are compared to those found without stochastic optimization using the FOCUS and ONSET suites. The relationship between local minima in the optimization space and coil shape penalties is also discussed.

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Improved performance of a chitosan-based adsorbent for the sequestration of some transition metals

Water Science & Technology ◽

10.2166/wst.2001.0661 ◽

2001 ◽

Vol 43 (11) ◽

pp. 9-16 ◽

Cited By ~ 10

Author(s):

R. R. Navarro ◽

K. Tatsumi

Keyword(s):

Graft Polymerization ◽

Physical Stability ◽

Three Dimensional ◽

Batch Adsorption ◽

Capacity Enhancement ◽

Modified Chitosan ◽

Coordination Requirements ◽

Acidic Conditions ◽

Improved Performance ◽

Chitosan Resin

Polyethyleneimine (PEI) was chemically introduced onto chitosan by its reaction with epoxide groups of grafted poly(glycidyl methacrylate) (poly(GMA)) chains for enhanced metal chelating properties and improved physical stability in acidic conditions. Graft polymerization of poly(GMA) onto chitosan was initiated by Ce(IV) ammonium nitrate (CAN). Infrared spectroscopy revealed the presence of significant epoxide groups to confirm the success of both grafting and amination stages. Batch adsorption experiments showed the higher affinity of the modified chitosan resin for Cu2+, Zn2+ and Pb2+. The capacity enhancement was even more pronounced in the case of Zn2+ and Pb2+, which exhibits more complicated three dimensional coordination requirements. Optimum metal adsorption occurs at above pH 4. Regeneration of the resin with sulphuric acid-ammonium sulphate was also found to be feasible.

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Identification of Wake Convection and Flow Outline in the Interface Region of Blade Rows With Axial Gap in a Counter Rotating Turbine

Volume 1: Compressors, Fans, and Pumps; Turbines; Heat Transfer; Structures and Dynamics ◽

10.1115/gtindia2019-2634 ◽

2019 ◽

Author(s):

Rayapati Subbarao ◽

M. Govardhan

Keyword(s):

Flow Pattern ◽

Mass Flow Rate ◽

Mass Flow ◽

Flow Rate ◽

Three Dimensional ◽

Interface Region ◽

Turbine Stage ◽

Deviation Angle ◽

Flow Rates ◽

Improved Performance

Abstract In a Counter Rotating Turbine (CRT), the stationary nozzle is trailed by two rotors that rotate in the opposite direction to each other. Flow in a CRT stage is multifaceted and more three dimensional, especially, in the gap between nozzle and rotor 1 as well as rotor 1 and rotor 2. By varying this gap between the blade rows, the flow and wake pattern can be changed favorably and may lead to improved performance. Present work analyzes the aspect of change in flow field through the interface, especially the wake pattern and deviation in flow with change in spacing. The components of turbine stage are modeled for different gaps between the components using ANSYS® ICEM CFD 14.0. Normalized flow rates ranging from 0.091 to 0.137 are used. The 15, 30, 50 and 70% of the average axial chords are taken as axial gaps in the present analysis. CFX 14.0 is used for simulation. At nozzle inlet, stagnation pressure boundary condition is used. At the turbine stage or rotor 2 outlet, mass flow rate is specified. Pressure distribution contours at the outlets of the blade rows describe the flow pattern clearly in the interface region. Wake strength at nozzle outlet is more for the lowest gap. At rotor 1 outlet, it is less for x/a = 0.3 and increases with gap. Incidence angles at the inlets of rotors are less for the smaller gaps. Deviation angle at the outlet of rotor 1 is also considered, as rotor 1-rotor 2 interaction is more significant in CRT. Deviation angle at rotor 1 outlet is minimum for this gap. Also, for the intermediate mass flow rate of 0.108, x/a = 0.3 is giving more stage performance. This suggests that at certain axial gap, there is better wake convection and flow outline, when compared to other gap cases. Further, it is identified that for the axial gap of x/a = 0.3 and the mean mass flow rate of 0.108, the performance of CRT is maximum. It is clear that the flow pattern at the interface is changing the incidence and deviation with change in axial gap and flow rate. This study is useful for the gas turbine community to identify the flow rates and gaps at which any CRT stage would perform better.

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Three-Dimensional Flowfields Inside a Transonic Compressor With Swept Blades

Journal of Turbomachinery ◽

10.1115/1.2929092 ◽

1991 ◽

Vol 113 (2) ◽

pp. 241-250 ◽

Cited By ~ 37

Author(s):

C. Hah ◽

A. J. Wennerstrom

Keyword(s):

Turbulence Modeling ◽

Three Dimensional ◽

Secondary Flows ◽

Operating Conditions ◽

Tip Clearance ◽

Navier Stokes ◽

Navier Stokes Equation ◽

Tip Clearance Flow ◽

Transonic Compressor ◽

Improved Performance

The concept of swept blades for a transonic or supersonic compressor was reconsidered by Wennerstrom in the early 1980s. Several transonic rotors designed with swept blades have shown very good aerodynamic efficiency. The improved performance of the rotor is believed to be due to reduced shock strength near the shroud and better distribution of secondary flows. A three-dimensional flowfield inside a transonic rotor with swept blades is analyzed in detail experimentally and numerically. A Reynolds-averaged Navier–Stokes equation is solved for the flow inside the rotor. The numerical solution is based on a high-order upwinding relaxation scheme, and a two-equation turbulence model with a low Reynolds number modification is used for the turbulence modeling. To predict flows near the shroud properly, the tip-clearance flow also must be properly calculated. The numerical results at three different operating conditions agree well with the available experimental data and reveal various interesting aspects of shock structure inside the rotor.

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