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Category: chemistry – Page 110

AlphaFold Server Demo — Google DeepMind

Google DeepMind’s newly launched AlphaFold Server is the most accurate tool in the world for predicting how proteins interact with other molecules throughout the cell. It is a free platform that scientists around the world can use for non-commercial research. With just a few clicks, biologists can harness the power of AlphaFold 3 to model structures composed of proteins, DNA, RNA and a selection of ligands, ions and chemical modifications.

AlphaFold Server will help scientists make novel hypotheses to test in the lab, speeding up workflows and enabling further innovation. Our platform gives researchers an accessible way to generate predictions, regardless of their access to computational resources or their expertise in machine learning.

Experimental protein-structure prediction can take about the length of a PhD and cost hundreds of thousands of dollars. Our previous model, AlphaFold 2, has been used to predict hundreds of millions of structures, which would have taken hundreds of millions of researcher-years at the current rate of experimental structural biology.

AlphaFold 3 model is a Google DeepMind and Isomorphic Labs collaboration.

Links and further reading:
Find out more about AlphaFold 3 at https://blog.google/technology/ai/goo…
Read the full paper https://www.nature.com/articles/s4158…
Access AlphaFold Server: alphafoldserver.com.

Research team develops AI to perform chemical synthesis

Chemistry, with its intricate processes and vast potential for innovation, has always been a challenge for automation. Traditional computational tools, despite their advanced capabilities, often remain underutilized due to their complexity and the specialized knowledge required to operate them.

Now, researchers with the group of Philippe Schwaller at EPFL have developed ChemCrow, an AI that integrates 18 expertly designed tools, enabling it to navigate and perform tasks within chemical research with unprecedented efficiency. Their research is published in Nature Machine Intelligence.

“You might wonder why a crow?” asks Schwaller. “Because crows are known to use tools well.”

Peptides on interstellar ice: Study finds presence of water molecules is not a major obstacle for formation

A research team led by Dr. Serge Krasnokutski from the Astrophysics Laboratory at the Max Planck Institute for Astronomy at the University of Jena had already demonstrated that simple peptides can form on cosmic dust particles. However, it was previously assumed that this would not be possible if molecular ice, which covers the dust particle, contains water—which is usually the case.

Now the team, in collaboration with the University of Poitiers, France, has discovered that the presence of water molecules is not a major obstacle for the formation of peptides on such dust particles. The researchers report on their finding in the journal Science Advances.

Chemistry in the icy vacuum “We have replicated conditions similar to those in outer space in a vacuum chamber, also adding substances that occur in so-called molecular clouds,” explains Krasnokutski. These substances include ammonia, atomic carbon, and carbon monoxide. “Thus, all the chemical elements needed for simple peptides are present,” adds the physicist.

New high-throughput device to unlock the potential of advanced materials

A Birmingham researcher has developed a new high-throughput device that produces libraries of nanomaterials using sustainable mechanochemical approaches.

Dr. Jason Stafford from the University’s School of Engineering invented the platform to create highly controllable reaction conditions and reduce the substantial amount of time researchers spend generating materials in the laboratory.

The benchtop device is a fully automated unit that can be programmed for parallel synthesis to produce a series of novel materials made in subtly different ways, so creating a library of or product formulations for further testing and optimization.

Ultrathin samples with surface phonon polariton enhance photoinduced dipole force

A new study has been led by Prof. Xing-Hua Xia (State Key Lab of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University). While analyzing the infrared photoinduced force response of quartz, Dr. Jian Li observed a unique spectral response that is different from the far field infrared absorption spectrum.

Attosecond core-level spectroscopy reveals real-time molecular dynamics

Chemical reactions are complex mechanisms. Many different dynamic processes are involved, affecting both the electrons and the nucleus of the present atoms. Very often, the strongly coupled electron and nuclear dynamics induce radiation-less relaxation processes known as conical intersections. Such dynamics, which are at the basis of many biological and chemical relevant functions, are extremely difficult to detect experimentally.

In the brain, bursts of beta rhythms implement cognitive control

Bursts of brain rhythms with “beta” frequencies control where and when neurons in the cortex process sensory information and plan responses. Studying these bursts would improve understanding of cognition and clinical disorders, researchers argue in a new review.

The brain processes information on many scales. Individual cells electrochemically transmit signals in circuits but at the large scale required to produce cognition, millions of cells act in concert, driven by rhythmic signals at varying frequencies. Studying one frequency range in particular, beta rhythms between about 14–30 Hz, holds the key to understanding how the brain controls cognitive processes — or loses control in some disorders — a team of neuroscientists argues in a new review article.

Drawing on experimental data, mathematical modeling and theory, the scientists make the case that bursts of beta rhythms control cognition in the brain by regulating where and when higher gamma frequency waves can coordinate neurons to incorporate new information from the senses or formulate plans of action. Beta bursts, they argue, quickly establish flexible but controlled patterns of neural activity for implementing intentional thought.

A Single Atom Layer of Gold: Researchers Create Goldene

For the first time, scientists have managed to create sheets of gold only a single atom layer thick. The material has been termed goldene. According to researchers from Linköping University, Sweden, this has given the gold new properties that can make it suitable for use in applications such as carbon dioxide conversion, hydrogen production, and production of value-added chemicals. Their findings are published in the journal Nature Synthesis.

Scientists have long tried to make single-atom-thick sheets of gold but failed because the metal’s tendency to lump together. But researchers from Linköping University have now succeeded thanks to a hundred-year-old method used by Japanese smiths.

“If you make a material extremely thin, something extraordinary happens — as with graphene. The same thing happens with gold. As you know, gold is usually a metal, but if single-atom-layer thick, the gold can become a semiconductor instead,” says Shun Kashiwaya, researcher at the Materials Design Division at Linköping University.

At the Edge of Explosion: How New Science Is Making Old Reactions Safer

The chemical industry has been using a reaction with explosive chemicals for over 100 years — now Mülheim scientists have discovered a safer alternative.

Explosions and poisoning. Serious injuries and even deaths. In the history of the chemical industry, there have been repeated accidents, sometimes fatal, often caused by dangerous and explosive chemicals that are required for certain reactions.

Aryldiazonium salts, which have been used for 140 years, are such chemicals. They are very reactive and therefore extremely useful for producing other compounds – dyes, for example. However, the high reactivity means that isolated aryldiazonium salts are not very stable and can therefore react unintentionally and sometimes explosively. On December 23, 1969, there was a particularly serious explosion involving these chemicals at Ciba AG in Basel. A building was destroyed and heavy pieces of the reactor flew through the air. Three workers lost their lives and 31 were seriously injured. Despite such horrific reports, work continues with aryldiazonium salts.