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Applications of Evolutionary Computation in Drug Design
Evolutionary algorithms have been widely adopted for solving many of the complex tasks involved in drug design. Here, applications to two different... -
Develo** Active Site Models of ODCase—from Large Quantum Models to a QM/MM Approach
The catalytic mechanism of orotidine monophosphate decarboxylase (ODCase) has been modeled using density functional theory with the B3LYP functional.... -
Composite cathode Gd0.2Ce0.8O1.9–SrFe1−xTixO3-δ for Nicotiana tabacum-derived carbon fuel-based direct carbon fuel cell
As an electrochemical device that converts the chemical energy of fuel directly into electrical energy, the fuel cell is a new alternative technology...
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A flexible glucose biosensor modified by reduced-swelling and conductive zwitterionic hydrogel enzyme membrane
This paper reports a flexible glucose biosensor which is modified by a reduced-swelling and conductive zwitterionic hydrogel enzyme membrane that...
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Investigation of dry sliding wear characteristics of Al 7075 reinforced with SiC-graphite hybrid composites: multi-parameter optimization using grey relational analysis
Metal matrix composites made of aluminium and ceramics reinforced with silicon carbide (SiC) have desirable mechanical characteristics. On the other...
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Multi-functional nanozyme–based colorimetric, fluorescence dual-mode assay for Salmonella typhimurium detection in milk
Rapid and high-sensitive Salmonella detection in milk is important for preventing foodborne disease eruption. To overcome the influence of the...
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Facile biotic/abiotic sandwich detection system for the highly sensitive detection of human serum albumin and glycated albumin
Quantifying glycated albumin (GA) levels in the blood is crucial for diagnosing diabetes because they strongly correlate with blood glucose...
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Thermodynamic modelling of Ag–Si nanophase diagram including shape effect
The CALPHAD method is an especially effective method to calculate the nanophase diagram of systems by combining the thermodynamic database for the...
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Quantum transport properties of AB bilayer graphene via tight-binding approach with NEGF formalisms
AB-stacked bilayer graphene has garnered significant scientific interest owing to its superior electron transport properties, even when compared to...
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Accuracy of coordinate measurements in the case of phase modulation by digital raster
We consider the development of optoelectronic instruments used for measuring linear and angular quantities based on focal-plane arrays...
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Electrochemical Investigation of Magnesium-Doped Copper Ferrite Nanostructures for Asymmetric Supercapacitor Applications
In this study, the synthesis of magnesium-doped copper ferrite, namely Cu x Mg 1− x Fe 2 O 4 ( x = 1, 0.9, 0.7, and 0.5), is achieved using a facile microwave...
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A Comprehensive Study on Determination of Kinetic Parameters of Ironmaking Ores Reduced by Hydrogen: Reduction Below 570 °C
To advance hydrogen metallurgy, it is critical to understand the micro-kinetics of diversified ironmaking ores reduced by hydrogen and to establish...
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Polypyrrole nanofibers/phosphorus-doped graphene nanocomposite for efficient room temperature real-time monitoring of ammonia
This research work focuses on the potential applications of polypyrrole nanofibers and phosphorus-doped graphene (PPy/P-rGO) in gas sensing devices....
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Advancing electric mobility with lithium-ion batteries: A materials and sustainability perspective
In the last three decades, lithium-ion batteries (LIBs) have become one of the most influential technologies in the world, allowing the widespread...
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MXene coating on waste textiles for wearable electronics and thermal regulation
Transforming discarded textiles into more valuable products through upcycling offers a multi-pronged approach to alleviating textile industry-related...
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Materials challenges for electric vehicles
Electric vehicles provide the ability to substantially reduce or eliminate greenhouse gas emissions from transportation. Electric vehicles utilize a...
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Pipeline Circumferential Cracking in Near-Neutral pH Environment Under the Influence of Residual Stress: Dormancy and Crack Initiation
The purpose of this study is to identify the integrity challenges encountered by buried pipeline steels, specifically to address Circumferential...
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Grape Seed Extract as an Environment-Friendly Green Inhibitor for Corrosion of Mild Steel in 1 M Sulfamic Acid
A corrosion inhibition study of mild steel in 1 M sulfamic acid was conducted using grape seed extract (GSE) as a possible green inhibitor....
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Effect of Initial Powder Condition on Precipitation Behavior in Cold Sprayed Al7075 Alloy Coatings
This study explores the potential of cold spray technology for repairing high-strength Al7075 alloy components, particularly in the aerospace...
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Investigation of polyaniline electrodeposition on hydrophilic/hydrophobic carbon cloth substrates for symmetric coin cell supercapacitors
This research innovatively produced polyaniline-coated carbon cloth (PANI@CC) using an electrochemical deposition process, highlighting the impact of...