AI-Driven Discovery of Amorphous Fluorinated Polymer Electret with Improved Charge Stability for Energy Harvesting.

Electret materials are promising dielectric materials with trapped charges for various applications such as vibration energy harvesters and acoustic transducers. In the present work, ionization potential is discovered as the descriptor to quantify the charging performance for amorphous fluorinated polymer electrets. Using this descriptor, high-throughput computations, and graph neural network models, 1 176 591 functional groups are screened on the cyclic transparent optical polymers (CYTOP), and 3 promising electrets are identified.

Effect of end group of amorphous perfluoro-polymer electrets on electron trapping.

Charge trap in amorphous perfluoro-polymer electret is studied, focusing on electron trap site and trap energy. Low-energy inverse photoelectron spectroscopy is adopted to measure solid-state electron affinity (EA) of cyclic transparent optical polymer (CYTOP). EA of CYTOP CTL-S is discovered by compensating the unwanted charge-up effect.

DSR-71167, a novel mineralocorticoid receptor antagonist with carbonic anhydrase inhibitory activity, separates urinary sodium excretion and serum potassium elevation in rats.

Mineralocorticoid receptor (MR) antagonists, such as spironolactone (SPI) and eplerenone (EPL), are useful for treating hypertension and heart failure. However, these two agents have the serious side effect of hyperkalemia. We hypothesized that adding the ability to inhibit carbonic anhydrase (CA) would reduce the risk of hyperkalemia associated with MR antagonists.

Chiral bis(imidazolidine)pyridine-Cu(OTf)2: catalytic asymmetric endo-selective [3 + 2] cycloaddition of imino esters with nitroalkenes.

The novel C(2)-symmetric bis(imidazolidine)pyridine (PyBidine) ligand was easily synthesized in a single condensation of 2,6-pyridyl aldehyde and optically active (S,S)-diphenylethylenediamine. In the C(2)-symmetric PyBidine-Cu(OTf)(2) complex, imidazolidine rings act as "chiral fences" to shield the first and third quadrants. Use of the PyBidine-Cu(OTf)(2) complex as a catalyst enabled the highly endo-selective reaction of imino esters and nitroalkenes to give the adducts in up to 99% ee.