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View article: Publisher Correction: Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay
Publisher Correction: Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay Open
View article: Machine Learning‐Driven QSAR Modeling of Anticancer Activity from a Rationally Designed Synthetic Flavone Library
Machine Learning‐Driven QSAR Modeling of Anticancer Activity from a Rationally Designed Synthetic Flavone Library Open
Flavones, recognized as "privileged scaffolds" in drug discovery, hold significant promise as anticancer agents. This study develops a quantitative structure–activity relationship (QSAR) model to accelerate the optimization of lead compoun…
View article: Catalysis-Induced Highly-Stable Interface on Porous Silicon for High-Rate Lithium-Ion Batteries
Catalysis-Induced Highly-Stable Interface on Porous Silicon for High-Rate Lithium-Ion Batteries Open
View article: Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay
Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay Open
View article: In situ Construction of Poly(acrylic acid)/Conjugated Organic Framework Binder with Superior Mechanical Strength and Ionic Conductivity for Si-Based Anodes in Lithium-Ion Batteries
In situ Construction of Poly(acrylic acid)/Conjugated Organic Framework Binder with Superior Mechanical Strength and Ionic Conductivity for Si-Based Anodes in Lithium-Ion Batteries Open
View article: The Lattice Mismatch-Driven Photochemical Self-Assembly of Supported Heterostructures for Stable and Enhanced Electrocatalytic Carbon Dioxide Reduction Reaction
The Lattice Mismatch-Driven Photochemical Self-Assembly of Supported Heterostructures for Stable and Enhanced Electrocatalytic Carbon Dioxide Reduction Reaction Open
Metallic heterostructural nanocrystals (HNCs) hold immense potential in electrocatalytic carbon dioxide reduction reaction (CO2RR) owing to their abundant active sites and high intrinsic activity. However, a significant challenge still rem…
View article: Machine learning-based QSAR and LB-PaCS-MD guided design of SARS-CoV-2 main protease inhibitors
Machine learning-based QSAR and LB-PaCS-MD guided design of SARS-CoV-2 main protease inhibitors Open
View article: Comparative Study of Machine Learning-Based QSAR Modeling of Anti-inflammatory Compounds from Durian Extraction
Comparative Study of Machine Learning-Based QSAR Modeling of Anti-inflammatory Compounds from Durian Extraction Open
Quantitative structure-activity relationship (QSAR) analysis, an in silico methodology, offers enhanced efficiency and cost effectiveness in investigating anti-inflammatory activity. In this study, a comprehensive comparative analys…
View article: Gradient-Temperature Control Enhances Oxi-Upcycling of Polyethylene Plastics to Long-Chain Dicarboxylic Acids Over Ts-1 Zeolite
Gradient-Temperature Control Enhances Oxi-Upcycling of Polyethylene Plastics to Long-Chain Dicarboxylic Acids Over Ts-1 Zeolite Open
View article: Communicationmachine Learning-Based QSAR and LB-PaCS-MD Guided Design of SARs-CoV-2 Main Protease Inhibitors
Communicationmachine Learning-Based QSAR and LB-PaCS-MD Guided Design of SARs-CoV-2 Main Protease Inhibitors Open
View article: Enhancing Performance of Silicon/Graphene Composites By Transition Lattice Interfaces Constructed Using Plasma
Enhancing Performance of Silicon/Graphene Composites By Transition Lattice Interfaces Constructed Using Plasma Open
View article: 3D-printed biodegradable magnesium alloy scaffolds with zoledronic acid-loaded ceramic composite coating promote osteoporotic bone defect repair
3D-printed biodegradable magnesium alloy scaffolds with zoledronic acid-loaded ceramic composite coating promote osteoporotic bone defect repair Open
Osteoporotic fracture is one of the most serious complications of osteoporosis. Most fracture sites have bone defects, and restoring the balance between local osteogenesis and bone destruction is difficult during the repair of osteoporotic…
View article: Advances of high-performance LiNi1-x-yCoxMyO2 cathode materials and their precursor particles via co-precipitation process
Advances of high-performance LiNi1-x-yCoxMyO2 cathode materials and their precursor particles via co-precipitation process Open
Layered LiNi1-x-yCoxMyO2 (M = Mn or Al) is a promising cathode material for lithium-ion batteries due to its high specific capacity and acceptable manufacturing cost. However, the polycrystalline LiNi1-x-yCoxMyO2 cathode material suffers f…
View article: Quantitative Structure–Electrochemistry Relationship (QSER) Studies on Metal–Amino–Porphyrins for the Rational Design of CO2 Reduction Catalysts
Quantitative Structure–Electrochemistry Relationship (QSER) Studies on Metal–Amino–Porphyrins for the Rational Design of CO2 Reduction Catalysts Open
The quantitative structure–electrochemistry relationship (QSER) method was applied to a series of transition-metal-coordinated porphyrins to relate their structural properties to their electrochemical CO2 reduction activity. Since the reac…
View article: Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts
Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts Open
A series of pyrrole derivatives and their antioxidant scavenging activities toward the superoxide anion (O2•−), hydroxyl radical (•OH), and 1,1-diphenyl-2-picryl-hydrazyl (DPPH•) served as the training data sets of a quantitative structure…
View article: Magnetic Field Enhanced Surface Reconstruction Of Fe2p And the Promotional Effect In Electrochemical Oxygen Evolution
Magnetic Field Enhanced Surface Reconstruction Of Fe2p And the Promotional Effect In Electrochemical Oxygen Evolution Open
View article: Sn, S Co-Doped Licoo2 with Low Lithium Ion Diffusion Energy Barrier and High Passivation Surface for Fast Charging Lithium Ion Batteries
Sn, S Co-Doped Licoo2 with Low Lithium Ion Diffusion Energy Barrier and High Passivation Surface for Fast Charging Lithium Ion Batteries Open
View article: The Promoting Effect of Acid Sites Over Zsm-5 Zeolites for the Efficiently Selective Catalytic Oxi-Upcycling of High-Density Polyethylene to Long-Chain Dicarboxylic Acid
The Promoting Effect of Acid Sites Over Zsm-5 Zeolites for the Efficiently Selective Catalytic Oxi-Upcycling of High-Density Polyethylene to Long-Chain Dicarboxylic Acid Open
View article: Design of electron-donating group substituted 2-PAM analogs as antidotes for organophosphate insecticide poisoning
Design of electron-donating group substituted 2-PAM analogs as antidotes for organophosphate insecticide poisoning Open
Design of novel 2-pralidoxime analogs by incorporating electron-donating groups onto its pyridinium core to enhance blood–brain barrier permeability and binding susceptibility toward acetylcholinesterase with paraoxon bound.
View article: Methyltriethoxysilane Modified Nano-Alumina Sol to Fabricate Organic/Inorganic Hybrid Refractory Coating
Methyltriethoxysilane Modified Nano-Alumina Sol to Fabricate Organic/Inorganic Hybrid Refractory Coating Open
View article: Methyltriethoxysilane Modified Nano-Alumina Sol to Fabricate Organic/Inorganic Hybrid Refractory Coating
Methyltriethoxysilane Modified Nano-Alumina Sol to Fabricate Organic/Inorganic Hybrid Refractory Coating Open
View article: High‐Rate Organic Cathode Constructed by Iron‐Hexaazatrinaphthalene Tricarboxylic Acid Coordination Polymer for Li‐Ion Batteries
High‐Rate Organic Cathode Constructed by Iron‐Hexaazatrinaphthalene Tricarboxylic Acid Coordination Polymer for Li‐Ion Batteries Open
The sluggish ion‐transport in electrodes and low utilization of active materials are critical limitations of organic cathodes, which lead to the slow reaction dynamics and low specific capacity. In this study, the hierarchical tube is cons…
View article: Porous interface for fast charging silicon anode
Porous interface for fast charging silicon anode Open
For next‐generation powering batteries, silicon with high energy density is considered the most promising anode material. However, the low rate performance and limited cycling life of silicon anode confines its commercial application. Poro…
View article: A Simple and Rapid Route for Synthesizing the Nanosized G-C3n4 Materials with Narrow Bandgap and Their Photocatalytic Activity
A Simple and Rapid Route for Synthesizing the Nanosized G-C3n4 Materials with Narrow Bandgap and Their Photocatalytic Activity Open
View article: Upconversion-bismuth Nanosystem as Theranostic Agent for NIR Laser-driven Chemo-photothermal Therapy
Upconversion-bismuth Nanosystem as Theranostic Agent for NIR Laser-driven Chemo-photothermal Therapy Open
：A hybrid nanosystem of upconversion-bismuth integration(denoted as UBDAs)is designed and synthesized for near infrared (NIR)light-driven chemo-photothermal therapy.The obtained UBDAs present excellent photothermal conversion capacity(~28.…
View article: Photo-assisted sequential assembling of uniform metal nanoclusters on semiconductor support
Photo-assisted sequential assembling of uniform metal nanoclusters on semiconductor support Open
View article: Single‐Ion Conducting Soft Electrolytes for Semi‐Solid Lithium Metal Batteries Enabling Cell Fabrication and Operation under Ambient Conditions (Adv. Energy Mater. 38/2021)
Single‐Ion Conducting Soft Electrolytes for Semi‐Solid Lithium Metal Batteries Enabling Cell Fabrication and Operation under Ambient Conditions (Adv. Energy Mater. 38/2021) Open
Soft Electrolytes In article number 2101813, Taeeun Yim, Shuai Yuan, Sang-Young Lee, and co-workers present single-ion conducting quasi-solid-state soft electrolytes (SICSE) as a new material strategy for practical semi-solid lithium metal…
View article: SBA-15 with Crystalline Walls Produced via Thermal Treatment with the Alkali and Alkali Earth Metal Ions
SBA-15 with Crystalline Walls Produced via Thermal Treatment with the Alkali and Alkali Earth Metal Ions Open
Crystalline walled SBA-15 with large pore size were prepared using alkali and alkali earth metal ions (Na+, Li+, K+ and Ca2+). For this work, the ratios of alkali metal ions (Si/metal ion) ranged from 2.1 to 80, while the temperatures test…
View article: Efficient catalytic combustion of toluene at low temperature by tailoring surficial Pt0 and interfacial Pt-Al(OH)x species
Efficient catalytic combustion of toluene at low temperature by tailoring surficial Pt0 and interfacial Pt-Al(OH)x species Open
View article: Author Correction: A study on the bio-applicability of aqueous-dispersed van der Waals 1-D material Nb2Se9 using poloxamer
Author Correction: A study on the bio-applicability of aqueous-dispersed van der Waals 1-D material Nb2Se9 using poloxamer Open