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Toward conformational identification of molecules in 2D and 3D self-assemblies on surfaces
The design of supramolecular networks based on organic molecules deposited on surfaces, is highly attractive for various applications. One of the...
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QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning
Previous studies have shown that the three-dimensional (3D) geometric and electronic structure of molecules play a crucial role in determining their...
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A three-dimensional Pb-centered coordination framework: crystal structure and electrochemiluminescent property
Rigid, dicarboxylic acid ligand 5-(4-carboxyphenyl)-1 H -pyrazole-3-carboxylic acid (H 3 L) has been synthesized and utilized for assembling a metal...
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Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation
Three-dimensional (3D) conformations of a small molecule profoundly affect its binding to the target of interest, the resulting biological effects,...
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Research Progress in Printing Formulation for 3D Printing of Healthy Future Foods
Eating patterns, financial and time constraints, and food availability play a key role in the wide variety of diets followed by young adults. As a...
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Stochastic Analysis of Rotary Mixing of Polymer Components in the Framework of Recycling and Development of 3D-Printing Technologies
Based on the proposed stochastic model for the formation of rarefied flows, an analysis of the first stage of rotary mixing of polymer secondary and...
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Thermal stabilization of recycled PLA for 3D printing by addition of charcoal
Poly(lactic acid) (PLA) is one of the most widely used thermoplastic materials for 3D printing, particularly in the Fused Filament Fabrication...
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Preferential CO2 adsorption over cadmium-based Porous Metal-organic Framework
Novel preferential carbon-dioxide sorption was observed on a cadmium based mixed-linker metal-organic framework (MOF){[Cd(abdc)(azpy)](DMA)} n [where...
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Bimetallic reduced graphene oxide/zeolitic imidazolate framework hybrid aerogels for efficient heavy metals removal
Graphene oxide is a promising adsorption material. However, it has been difficult to recycle and separate graphene oxide in the solution. To...
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Recent progress on charge transfer engineering in reticular framework for efficient electrochemiluminescence
Electrochemiluminescence (ECL) is a luminescence production technique triggered by electrochemistry, which has emerged as a powerful analytical...
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Desolvation of metal complexes to construct metal–organic framework glasses
Structural design is an important challenge in glassy materials, including metal–organic framework (MOF) glasses. The current approaches of thermal...
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Tetrahedral framework nucleic acids for improving wound healing
Wounds are one of the most common health issues, and the cost of wound care and healing has continued to increase over the past decade. In recent...
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Efficient and selective H2O2 production through uranyl-assisted photocatalytic oxygen reduction reaction process in a uranium-organic framework
Harnessing solar energy by photocatalytically converting oxygen and water into high-value-added H 2 O 2 is a promising way of alleviating both...
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The interaction of the structure-directing agent with the zeolite framework determines germanium distribution in SCM-15 germanosilicate
We report results from computational modeling of the relative stability of germanosilicate SCM-15 structure due to different distribution of...
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Monitoring Pilot-Scale Ultrasound Treatment of the Removal of Pesticide Residues from Fresh Zucchinis Using 2D and 3D Front-Face Fluorescence Spectroscopy
The removals of boscalid and pyraclostrobin residues from zucchinis by ultrasonic treatment were investigated at the laboratory and pilot scales...
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Comparison of 3D-cDFT and GCMC simulations for fluid–structure analysis in amorphous carbon nanoporous materials
Investigating fluid behavior in nanoporous materials is essential for gas storage, separation, and catalysis applications. Here, we present a...
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A 3D Compound Based on Semi-rigid Tricarboxylato-Bridged Co(II): Synthesis, Crystal Structure and Magnetism
With the assistance of N-donor ligand 1,4-bi(1H-imidazol-1-yl)benzene (1,4-bib), Co(II) reacts with 5-((4-carboxyphenoxy)-methyl)isophthalic acid (H 3 L...
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Removal of pharmaceutical pollutants from effluent by a plant-based metal–organic framework
Emerging organic contaminants (EOCs), such as pharmaceutical compounds, are of growing environmental concern, and there is a need to develop new...
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Light-induced stepped thermal relaxation in a Hofmann-type metal-organic framework
Spin-crossover (SCO) materials with light-induced multistability have potential applications in multi-addressable opto-magnetic memory devices and...
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Zn-based metal–organic framework with intramolecular hydrogen bond for the electroreduction of CO2 to formate
Metal–organic frameworks (MOFs) have important research value in the field of electrochemical CO 2 reduction reaction because of their rational...
