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Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2017.10.024
Abstract: Abstract Density functional theory (DFT) was used to investigate the applicability of the graphene-supported Nin nanoclusters as catalysts for the hydrogenation reaction. The adsorption and complete dissociation of the H2 on the Nin nanoclusters were…
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Keywords:
adsorption;
graphene;
graphene supported;
free graphene ... See more keywords
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2
Published in 2023 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c05560
Abstract: Rapid and sensitive pathogen detection methods are critical for disease diagnosis and treatment. RPA-CRISPR/Cas12 systems have displayed remarkable potential in pathogen detection. A self-priming digital PCR chip is a powerful and attractive tool for nucleic…
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Keywords:
self priming;
adsorption free;
crispr;
free self ... See more keywords
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Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00716
Abstract: The ability of metal-exchanged zeolites to chemisorb small gas molecules is key to their performance as heterogeneous catalysts and gas-separating agents. Here, we propose and evaluate an ab initio potential of mean force (PMF) method…
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Keywords:
adsorption;
pmf;
free energies;
mean force ... See more keywords
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Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2109718119
Abstract: Significance Protein malfunction and misfolding have long been associated with the onset and development of neurodegenerative conditions such as Alzheimer’s and Parkinson’s diseases. Protein misfolding/aggregation proceeds via primary nucleation whereby proteins can convert from their…
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Keywords:
adsorption free;
aggregation;
nucleation;
energy predicts ... See more keywords