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Researchers Developed Open-source Software For Atomic Resolution Of Nanocrystals

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By Author: Kelly Caylin
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Imagine if it is possible to gain easy access to understand any nanocrystal structure. Won’t create a great sense of scientific curiosity where the technological advancement has led to the simplicity of scientific models? Yes, it will. Terminologies related to nanoscience are gaining more attention due to their penetration into different domains of life. Recently, researchers and scientists have developed and devised an open-source scientific software named SINGLE. This software helps to develop a 3D structure of nanocrystals. This development has ushered humanity to tap the nanoscience domain with more effort. Let’s know more about this new scientific innovation that can change humanity’s course through more usage of nanoscience in different sectors.

Latest Development

A team of researchers from the Monash University, Seoul National University, and Lawrence Berkeley National Laboratory formulated a single-particle Brownian methodology to design or reconstruct the 3D structure. The study about this methodology got published as a news report on Science Advances. Using this ...
... method, the researchers were able to identify and reject low or poor quality images. Thus, they help to get better resolution of images of 2D/3D alignment. Hence, they provide more precision than cryo-electron microscopes. Accordingly, the researchers developed the open-source software package named SINGLE and made it available on GitHub.

How researchers created the 3D model of nanocrystals?

The researchers used transmission electron microscopy (TEM) for the study of graphene liquid cells. Through this microscope, they obtained projection images of nanocrystals. They also used the electron detector to reconstruct these projected images. Due to advanced computational approaches and the atomic resolution of 3D nanocrystals, researchers were able to track every individual particle. During this experimentation, they also allocated some researchers towards its software development. Software development always helps to keep track of every parameter in real-time. For tracking, these researchers used the basic fast Fourier transforms and phase correlation instruments. For improvisation in the cluster’s accuracy and the signal-to-noise ratio, they incorporated a deterministic approach that adopts the denoising window.

How the researchers validated the obtained 3D reconstructions?

After generating the model, the researchers dedicated to the study made efforts to validate the 3D data that they obtained by using several techniques. Through multi-slice and series of simulations, they imposed the translational motion and random variations to bring the individual particles’ realistic motion. Thus, the scientists were able to devise a 3D density map of the nanocrystal from a bunch of over five hundred simulated images that have a signal-to-noise ratio of 0.1. Once the data associated with rotational dynamics were available, the researchers compared the over simulation model with the actual and real figure. Thus, they got precise and accurate results.

How is SINGLE helpful?

The entire SINGLE software suite is one of its first methodologies that acts as an efficient analytical platform. This platform helps to understand the complete structural arrangement and origin of nanocrystals’ distinct physical and chemical properties. The simulation of the software model renders the density maps of nanocrystals with better atomic resolution. With this software being open-source, there’s an option available for others to access the code and generate the same through appropriate tools and platforms. Apart from this, the real-time availability with researchers immediately updating the data helps to more precise information.


Nanocrystals have been intriguing facets of the scientific domain that attracted many researchers and scientists towards their interest in crystallographic methods. Nanoscience has its outreach in different disciplines with widespread applications. These applications are mainly in biological sensors and electronics, nanotextiles, and nano-packaging to prevent microorganisms’ depositions. With this digital deployment in the form of a SINGLE software, there is greater scope for value-addition. Thus, the 3D reconstruction will have more precise measurements with the better calibration of the data.

Source: https://v5webroot.com/researchers-developed-open-source-software-for-atomic-resolution-of-nanocrystals/

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