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Mar 1, 2024

A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks

Posted by in categories: materials, robotics/AI

Furthermore, the experimental values are introduced to correct the adsorption isotherms. For example, Fig. 3b shows the Langmuir adsorption isotherm obtained by fitting both the predicted and experimental adsorption data. While we use simulated datasets to address data scarcity, we can also properly introduce experimental values to correct adsorption isotherms, which helps a more quantitative prediction of adsorption performance at high-pressure where the gas-gas interaction becomes more significant. In Fig. 3b, one can observe that the corrected adsorption isotherms have a strong correlation with experimental adsorption capacity to some extent. The results exhibit that Uni-MOF not only has the ability to screen the adsorption performance of the same gas in different materials but also can accurately screen the adsorption performance of different gases in the same material (Fig. 3c, d) or at different temperatures (Fig. 3e, f).

In the foreseeable future, the intersection of Artificial Intelligence (AI) and materials science will necessitate the resolution of practical and scientific issues. Nonetheless, the attainment of process implementation by AI in the realm of machine learning techniques that entail copious amounts of data remains a formidable challenge, given the dearth of experimental data and the diverse array of synthetic technology and characterization conditions implicated. Our research has made a significant stride in materials science by incorporating operating conditions into the Uni-MOF framework to ensure data adequacy and enable screening functions that are consistent with experimental findings.

In order to showcase the predictive capabilities of Uni-MOF with regard to cross-system properties, five materials were randomly selected from each of the six systems (carbon-dioxide at 298 K, methane at 298 K, krypton at 273 K, xenon at 273 K, nitrogen at 77 K and argon at 87 K) contained in databases hMOF_MOFX_DB and CoRE_MOFX_DB, which have been thoroughly sampled in terms of temperature and pressure. The predicted and simulated values of gas adsorption uptake at varying pressures were then compared, with the results presented in Fig. 4a–f. Adsorption isotherms fitting from both Uni-MOF predictions and simulated values would artificially reduce visual errors. In order to eliminate data bias, adsorption isotherms in all cases were obtained only by simulated values. It is evident that, due to the fact that the adsorption isotherms were obtained purely through simulated values, the predicted values of adsorption uptake generated by Uni-MOF for the hMOF_MOFX_DB and CoRE_MOFX_DB databases align closely with the simulated values across all cases. This finding is further supported by the high prediction accuracy demonstrated in Fig. 2a, b.

Mar 1, 2024

Seven years later, what can we make of our first confirmed interstellar visitor?

Posted by in category: space travel

It wasn’t aliens, but the first interstellar object found in our solar system still has much to teach us about the cosmos.

Mar 1, 2024

Discover the universe’s oldest black hole, defying the mysteries of space

Posted by in categories: cosmology, innovation

Embark on a cosmic journey as we explore the latest breakthrough in black hole research. Recently, scientists revealed the discovery of the oldest black hole ever observed.

Mar 1, 2024

Producing quantum materials with precision, with the help of AI

Posted by in categories: chemistry, quantum physics, robotics/AI

A team of NUS researchers led by Associate Professor Lu Jiong from the Department of Chemistry and Institute for Functional Intelligent Materials, together with their international collaborators, have developed a novel concept of a chemist-intuited atomic robotic probe (CARP).

This innovation, which uses artificial intelligence (AI) to mimic the decision-making process of chemists, enables the manufacturing of quantum materials with unrivaled intelligence and precision for future quantum technology applications such as data storage and quantum computing.

Open-shell magnetic nanographene is a type of carbon-based quantum material that possesses key electronic and that are important for developing extremely fast electronic devices at the , or creating quantum bits, the building blocks of quantum computers. The processes used to develop such materials have progressed over the years due the discovery of a new type of solid-phase chemical reaction known as on-surface synthesis.

Mar 1, 2024

Focal Point on Quantum computing in Japan

Posted by in categories: computing, quantum physics

Quantum computers are set to transform computing and society with their ability to solve problems that are currently intractable.

Mar 1, 2024

Peter Diamandis Embraces the Sci-Fi of Life Extension

Posted by in categories: life extension, Peter Diamandis

Now in his 60s, the physician and entrepreneur is directing tens of millions of dollars at far-out tech to let him and others live twice as long, or longer.

Mar 1, 2024

‘Can control computer mouse with thoughts’: Says Elon Musk on Neuralink’s first human patient as he successfully recovers

Posted by in categories: biotech/medical, computing, Elon Musk, neuroscience

Elon Musk disclosed that a human patient implanted with a brain chip from the company has fully recovered and demonstrated the ability to control a computer mouse using their thoughts.

Mar 1, 2024

2402.04190–1.pdf

Posted by in category: futurism

The geometry of life pdf.


Shared with Dropbox.

Mar 1, 2024

‘Oceans are hugely complex’: modelling marine microbes is key to climate forecasts

Posted by in categories: biological, chemistry, climatology, computing

An interesting exploration of the importance of oceanic microorganisms to biogeochemical processes, how existing computational climate models do not adequately capture the complexity introduced by these microbes, and suggestions for future directions in climate modeling that better incorporate the…


Microorganisms are the engines that drive most marine processes. Ocean modelling must evolve to take their biological complexity into account.

Mar 1, 2024

NFIL3 contributes to cytotoxic T lymphocyte-mediated killing

Posted by in categories: biotech/medical, genetics

Cytotoxic T-lymphocytes are important effectors in the clearance of virally infected and cancerous cells, and defects in their function give rise to many pathologies.


Cytotoxic T lymphocytes (CTLs) are key effectors of the adaptive immune system that recognize and eliminate virally infected and cancerous cells. In naive CD8+ T cells, T-cell receptor (TCR) engagement drives a number of transcriptional, translational and proliferation changes over the course of hours and days leading to differentiation into CTLs. To gain a better insight into this mechanism, we compared the transcriptional profiles of naive CD8+ T cells to those of activated CTLs. To find new regulators of CTL function, we performed a selective clustered regularly interspaced short palindromic repeats (CRISPR) screen on upregulated genes and identified nuclear factor IL-3 (NFIL3) as a potential regulator of cytotoxicity. Although NFIL3 has established roles in several immune cells including natural killer, Treg, dendritic and CD4+ T cells, its function in CD8+ CTLs is less well understood. Using CRISPR/Cas9 editing, we found that removing NFIL3 in CTLs resulted in a marked decrease in cytotoxicity. We found that in CTLs lacking NFIL3 TCR-induced extracellular signal-regulated kinase phosphorylation, immune synapse formation and granule release were all intact while cytotoxicity was functionally impaired in vitro. Strikingly, NFIL3 controls the production of cytolytic proteins as well as effector cytokines. Thus, NFIL3 plays a cell intrinsic role in modulating cytolytic mechanisms in CTLs.

CD8+ cytotoxic T lymphocytes (CTLs) are key effectors of the adaptive immune response that precisely recognize and eliminate virally infected and cancerous cells. In naive CD8+ T cells, T-cell receptor (TCR) engagement induces a number of transcriptional, translational and proliferation changes over the course of hours and days leading to differentiation into CTLs [1,2]. TCR ligation of differentiated CTLs drives a rapid response and the formation of a transient area of plasma membrane specialized in signalling and polarized secretion, termed the immune synapse [3]. CTLs undergo rapid rearrangements in microtubule and actin cytoskeletons as the centrosome and microtubule network polarize towards the synapse and cortical actin is transiently depleted [4–7].