Chemical Reaction-Driven Spreading of an Organic Extractant on the Gas–Water Interface: Insight into the Controllable Formation of a Gas Bubble-Supported Organic Extractant Liquid Membrane

Langmuir ◽  
2019 ◽  
Vol 35 (10) ◽  
pp. 3859-3868 ◽  
Author(s):  
Jie Liu ◽  
Kun Huang ◽  
Wenqian Liu ◽  
Huizhou Liu
Keyword(s):  
Chemical Reaction ◽  
Liquid Membrane ◽  
Gas Bubble ◽  
Water Interface ◽  
Organic Extractant ◽  
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scholarly journals Effect of the Air-Water Interface on the Conformation of Amyloid Beta

2020 ◽  
Author(s):  
Suman Samantray ◽  
David Cheung
Keyword(s):  
Conformational Change ◽  
Amyloid Beta ◽  
Md Simulation ◽  
Experimental Studies ◽  
Water Interface ◽  
Air Water Interface ◽  
Protein Conformational Change ◽  
Protein Fibrillation ◽  
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Using MD simulation the conformation of the fibril forming protein amyloid beta at the air-water interface. It is found that adsorption at the air-water interface induces the formation of aggregation prone alpha-helical conformations, consistent with experimental studies of amyloid beta. Adsorption on the air-water interface also reduces the number of distinct conformations that the protein exhibits. This provides insight into the role of protein conformational change into the enhancement of protein fibrillation at interfaces.

scholarly journals Effect of the Air-Water Interface on the Conformation of Amyloid Beta

2020 ◽  
Author(s):  
Suman Samantray ◽  
David Cheung
Keyword(s):  
Conformational Change ◽  
Amyloid Beta ◽  
Md Simulation ◽  
Experimental Studies ◽  
Water Interface ◽  
Air Water Interface ◽  
Protein Conformational Change ◽  
Protein Fibrillation ◽  
Insight Into

Using MD simulation the conformation of the fibril forming protein amyloid beta at the air-water interface. It is found that adsorption at the air-water interface induces the formation of aggregation prone alpha-helical conformations, consistent with experimental studies of amyloid beta. Adsorption on the air-water interface also reduces the number of distinct conformations that the protein exhibits. This provides insight into the role of protein conformational change into the enhancement of protein fibrillation at interfaces.

scholarly journals Data-Driven Chemical Reaction Classification with Attention-Based Neural Networks

2019 ◽  
Author(s):  
Philippe Schwaller ◽  
Alain C. Vaucher ◽  
Vishnu H Nair ◽  
Teodoro Laino
Keyword(s):  
Neural Networks ◽  
Chemical Reactions ◽  
Chemical Reaction ◽  
Structural Rearrangement ◽  
Data Driven ◽  
Classification Task ◽  
Data Set ◽  
Atom Mapping ◽  
Multi Class Classification ◽  
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<div><div><div><p>Organic reactions are usually clustered in classes that collect entities undergoing similar structural rearrangement. The classification process is a tedious task, requiring first an accurate mapping of the rearrangement (atom mapping) followed by the identification of the corresponding reaction class template. In this work, we present a transformer-based model that infers reaction classes from the SMILES representation of chemical reactions. The model reaches an accuracy of 93.8 % for a multi-class classification task involving several hundred different classes. The attention weights provided by the model give an insight into what parts of the SMILES strings are taken into account for classification, based solely on data. We study the incorrect predictions of our model and show that it uncovers different biases and mistakes in the underlying data set.</p></div></div></div>

Nonenzymatic RNA Oligomerization at the Mineral–Water Interface: An Insight into the Adsorption–Polymerization Relationship

2018 ◽  
Vol 122 (51) ◽  
pp. 29386-29397 ◽  
Author(s):  
Hussein Kaddour ◽  
Selim Gerislioglu ◽  
Punam Dalai ◽  
Toshikazu Miyoshi ◽  
Chrys Wesdemiotis ◽  
...  
Keyword(s):  
Mineral Water ◽  
Water Interface ◽  
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A new insight into Fe3O4-based nanocomposites for adsorption of asphaltene at the oil/water interface: An experimental interfacial study

2019 ◽  
Vol 177 ◽  
pp. 786-797 ◽  
Author(s):  
Hosein Rezvani ◽  
Yousef Kazemzadeh ◽  
Mohammad Sharifi ◽  
Masoud Riazi ◽  
Sanaz Shojaei
Keyword(s):  
Water Interface ◽  
Oil Water ◽  
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