High-Throughput Screening Protocol for the Coupling Reactions of Aryl Halides Using a Colorimetric Chemosensor for Halide Ions

2016 ◽  
Vol 18 (8) ◽  
pp. 1720-1723 ◽  
Author(s):  
Min Sik Eom ◽  
Jieun Noh ◽  
Han-Sung Kim ◽  
Soyeon Yoo ◽  
Min Su Han ◽  
...  
2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Byung Chul Yeo ◽  
Hyunji Nam ◽  
Hyobin Nam ◽  
Min-Cheol Kim ◽  
Hong Woo Lee ◽  
...  

AbstractTo accelerate the discovery of materials through computations and experiments, a well-established protocol closely bridging these methods is required. We introduce a high-throughput screening protocol for the discovery of bimetallic catalysts that replace palladium (Pd), where the similarities in the electronic density of states patterns were employed as a screening descriptor. Using first-principles calculations, we screened 4350 bimetallic alloy structures and proposed eight candidates expected to have catalytic performance comparable to that of Pd. Our experiments demonstrate that four bimetallic catalysts indeed exhibit catalytic properties comparable to those of Pd. Moreover, we discover a bimetallic (Ni-Pt) catalyst that has not yet been reported for H2O2 direct synthesis. In particular, Ni61Pt39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides an opportunity for the catalyst discovery for the replacement or reduction in the use of the platinum-group metals.


2005 ◽  
Vol 117 (42) ◽  
pp. 7023-7026 ◽  
Author(s):  
Paola Vicennati ◽  
Nicolas Bensel ◽  
Alain Wagner ◽  
Christophe Créminon ◽  
Frédéric Taran

2005 ◽  
Vol 44 (42) ◽  
pp. 6863-6866 ◽  
Author(s):  
Paola Vicennati ◽  
Nicolas Bensel ◽  
Alain Wagner ◽  
Christophe Créminon ◽  
Frédéric Taran

2013 ◽  
Vol 19 (1) ◽  
pp. 100-107 ◽  
Author(s):  
Juan Wang ◽  
Han Cheng ◽  
Kiira Ratia ◽  
Elizabeth Varhegyi ◽  
William G. Hendrickson ◽  
...  

Emerging and reemerging human viral pathogens pose great public health concerns since therapeutics against these viruses are limited. Thus, there is an urgent need to develop novel drugs that can block infection of either a specific virus or a number of viruses. Viral entry is thought to be an ideal target for potential therapeutic prevention. One of the challenges of developing antivirals is that most of these viruses are highly pathogenic and therefore require high biosafety-level containment. In this study, we have adopted a comparative high-throughput screening protocol to identify entry inhibitors for three enveloped viruses (Marburg virus, influenza virus H5N1, and Lassa virus) using a human immunodeficiency virus–based pseudotyping platform. We demonstrate the utility of this approach by screening a small compound library and identifying putative entry inhibitors for these viruses. One major advantage of this protocol is to reduce the number of false positives in hit selection, and we believe that the protocol is useful for inhibitor screening for many enveloped viruses.


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