Category Physics

Artificial Intelligence Model Finds Potential Drug Molecules a Thousand Times Faster

Artificial intelligence model finds potential drug molecules thousand times faster
EquiBind (cyan) predicts the ligand that could fit into a protein pocket (green). The true conformation is in pink. Credit: Hannes Stärk et al

The entirety of the known universe is teeming with an infinite number of molecules. But what fraction of these molecules have potential drug-like traits that can be used to develop life-saving drug treatments? Millions? Billions? Trillions? The answer: novemdecillion, or 10^60. This gargantuan number prolongs the drug development process for fast-spreading diseases like COVID-19 because it is far beyond what existing drug design models can compute. To put it into perspective, the Milky Way has about 100 thousand million, or 10^8, stars.

In a paper that will be presented at the International Conference on Machine Learning (ICML), MIT research...

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Efficient, Stable, and Eco-friendly Thermoelectric material discovered

The crystal structure of the barium cobalt oxide film (left; Xi Zhang, Yuqiao Zhang, et al. ACS Applied Materials & Interfaces. July 12, 2022), and the metal oxide film itself (right; Photo: Hiromichi Ohta).

A thermoelectric metal oxide film with a thermoelectric figure of merit of ~0.55 at 600°C has been discovered, opening new avenues towards the widespread use of thermoelectric converters.

Waste heat is a very promising source of energy conservation and reuse, by means of converting this heat into electricity — a process called thermoelectric conversion.

Commercially available thermoelectric conversion devices are synthesized using rare metals. While these are quite efficient, they are expensive and, in the majority of cases, utilize toxic materials...

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Future Smart Homes could be Powered with Electronics built on Stones

An array of stones
Interconnected microenergy devices built on marble tiles create customizable 3D power supply systems.
Credit: Adapted from ACS Nano 2022, DOI: 10.1021/acsnano.2c01753

What if you could power the smart thermostats, speakers and lights in your home with a kitchen countertop? Stones, such as marble and granite, are natural, eco-friendly materials that many people building or renovating houses already use. Now, in a step toward integrating energy storage with these materials, researchers have fabricated microsupercapacitors onto the surface of stone tiles. The devices, reported in ACS Nano, are durable and easily scaled up for customizable 3D power supplies.

It would be convenient if the surfaces in rooms could charge smart home devices or other small electronics without being connected ...

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Researchers build Long, highly Conductive Molecular Nanowire

molecular series
A brief abstract figure of this work. Top: the two-step oxidation of the bis(triarylamines) molecular series.

The 2.6nm-long single molecule wire has quasi-metallic properties and shows an unusual increase of conductance as the wire length increases; its excellent conductivity holds great promise for the field of molecular electronics.

As our devices get smaller and smaller, the use of molecules as the main components in electronic circuitry is becoming ever more critical. Over the past 10 years, researchers have been trying to use single molecules as conducting wires because of their small scale, distinct electronic characteristics, and high tunability...

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