Subscribe to our free daily newsletters
. 24/7 Space News .




Subscribe to our free daily newsletters



TECH SPACE
Active machine learning for the discovery and crystallization of gigantic polyoxometalate molecules
by Staff Writers
Washington DC (SPX) Aug 07, 2017


File image of a robot screeing compounds for precise chemical detection.

Who is the better experimentalist, a human or a robot? When it comes to exploring synthetic and crystallization conditions for inorganic gigantic molecules, actively learning machines are clearly ahead, as demonstrated by British Scientists in an experiment with polyoxometalates published in the journal Angewandte Chemie.

Polyoxometalates form through self-assembly of a large number of metal atoms bridged by oxygen atoms. Potential uses include catalysis, electronics, and medicine. Insights into the self-organization processes could also be of use in developing functional chemical systems like "molecular machines".

Polyoxometalates offer a nearly unlimited variety of structures. However, it is not easy to find new ones, because the aggregation of complex inorganic molecules to gigantic molecules is a process that is difficult to predict. It is necessary to find conditions under which the building blocks aggregate and then also crystallize, so that they can be characterized.

A team led by Leroy Cronin at the University of Glasgow (UK) has now developed a new approach to define the range of suitable conditions for the synthesis and crystallization of polyoxometalates.

It is based on recent advances in machine learning, known as active learning. They allowed their trained machine to compete against the intuition of experienced experimenters. The test example was Na(6)[Mo(120)Ce(6)O(366)H(12)(H(2)O)(78)]-200 H(2)O, a new, ring-shaped polyoxometalate cluster that was recently discovered by the researchers' automated chemical robot.

In the experiment, the relative quantities of the three necessary reagent solutions were to be varied while the protocol was otherwise prescribed. The starting point was a set of data from successful and unsuccessful crystallization experiments. The aim was to plan ten experiments and then use the results from these to proceed to the next set of ten experiments - a total of one hundred crystallization attempts.

Although the flesh-and-blood experimenters were able to produce more successful crystallizations, the far more "adventurous" machine algorithm was superior on balance because it covered a significantly broader domain of the "crystallization space".

The quality of the prediction of whether an experiment would lead to crystallization was improved significantly more by the machine than the human experimenters. A series of 100 purely random experiments resulted in no improvement.

In addition, the machine discovered a range of conditions that led to crystals which would not have been expected based on pure intuition. This "unbiased" automated method makes the discovery of novel compounds more probably than reliance on human intuition. The researchers are now looking for ways to make especially efficient "teams" of man and machine.

Research paper

TECH SPACE
Ferroelectric phenomenon proven viable for oxide electrodes, disproving predictions
Washington DC (SPX) Aug 07, 2017
Flux-closure domain (FCD) structures are microscopic topological phenomena found in ferroelectric thin films that feature distinct electric polarization properties. These closed-loop domains have garnered attention among researchers studying new ferroelectric devices, ranging from data storage components and spintronic tunnel junctions to ultra-thin capacitors. In the development of thin f ... read more

Related Links
Wiley
Space Technology News - Applications and Research


Thanks for being here;
We need your help. The SpaceDaily news network continues to grow but revenues have never been harder to maintain.

With the rise of Ad Blockers, and Facebook - our traditional revenue sources via quality network advertising continues to decline. And unlike so many other news sites, we don't have a paywall - with those annoying usernames and passwords.

Our news coverage takes time and effort to publish 365 days a year.

If you find our news sites informative and useful then please consider becoming a regular supporter or for now make a one off contribution.

SpaceDaily Contributor
$5 Billed Once


credit card or paypal
SpaceDaily Monthly Supporter
$5 Billed Monthly


paypal only

Comment using your Disqus, Facebook, Google or Twitter login.

Share this article via these popular social media networks
del.icio.usdel.icio.us DiggDigg RedditReddit GoogleGoogle

TECH SPACE
A look inside the Space Station's experimental BEAM module

Two Voyagers Taught Us How to Listen to Space

NASA Offers Space Station as Catalyst for Discovery in Washington

Voyager spacecraft still in communication 40 years out into the void

TECH SPACE
Space Launch System Solid Rocket Boosters 'on Target' for First Flight

Dragon to be packed with new experiments for International Space Station

ISRO Develops Ship-Based Antenna System to Track Satellite Launches

NASA taps BWXT for reactor design for future Mars missions

TECH SPACE
Five Years Ago and 154 Million Miles Away: Touchdown!

For Moratorium on Sending Commands to Mars, Blame the Sun

Tributes to wetter times on Mars

Opportunity will spend three weeks at current location due to Solar Conjunction

TECH SPACE
China develops sea launches to boost space commerce

Chinese satellite Zhongxing-9A enters preset orbit

Chinese Space Program: From Setback, to Manned Flights, to the Moon

Chinese Rocket Fizzles Out, Puts Other Launches on Hold

TECH SPACE
ASTROSCALE Raises a Total of $25 Million in Series C Led by Private Companies

LISA Pathfinder: bake, rattle and roll

Airbus DS to expand cooperation with Russia

UK space companies to develop international partnerships

TECH SPACE
BAE Systems reveals iMOTR radar system

Lockheed to intro radar demonstrator prototype

Algorithms that can sketch, recreate 3-D shapes

Ferroelectric phenomenon proven viable for oxide electrodes, disproving predictions

TECH SPACE
Unexpected life found at bottom of High Arctic lakes

NASA hiring a planetary protection officer to guard against alien invaders

Researchers detect exoplanet with glowing water atmosphere

Hubble detects exoplanet with glowing water atmosphere

TECH SPACE
Twilight observations reveal huge storm on Neptune

Jovian storm looms large in the Jupiter's High North

New Horizons Video Soars over Pluto's Majestic Mountains and Icy Plains

Juno spots Jupiter's Great Red Spot




Memory Foam Mattress Review
Newsletters :: SpaceDaily :: SpaceWar :: TerraDaily :: Energy Daily
XML Feeds :: Space News :: Earth News :: War News :: Solar Energy News






The content herein, unless otherwise known to be public domain, are Copyright 1995-2017 - Space Media Network. All websites are published in Australia and are solely subject to Australian law and governed by Fair Use principals for news reporting and research purposes. AFP, UPI and IANS news wire stories are copyright Agence France-Presse, United Press International and Indo-Asia News Service. ESA news reports are copyright European Space Agency. All NASA sourced material is public domain. Additional copyrights may apply in whole or part to other bona fide parties. All articles labeled "by Staff Writers" include reports supplied to Space Media Network by industry news wires, PR agencies, corporate press officers and the like. Such articles are individually curated and edited by Space Media Network staff on the basis of the report's information value to our industry and professional readership. Advertising does not imply endorsement, agreement or approval of any opinions, statements or information provided by Space Media Network on any Web page published or hosted by Space Media Network. Privacy Statement