Connect with us

Chemistry

Harnessing Light: How Machine Learning Unlocks Superior Performance in Organic Crystals

Researchers have developed a machine learning workflow to optimize the output force of photo-actuated organic crystals. Using LASSO regression to identify key molecular substructures and Bayesian optimization for efficient sampling, they achieved a maximum blocking force of 37.0 mN — 73 times more efficient than conventional methods. These findings could help develop remote-controlled actuators for medical devices and robotics, supporting applications such as minimally invasive surgery and precision drug delivery.

Avatar photo

Published

on

Harnessing the power of light to unlock superior performance in organic crystals is an innovative breakthrough that can revolutionize various industries. Researchers at Waseda University have successfully leveraged machine learning techniques to enhance the output force of photo-actuated organic crystals, achieving a maximum blocking force of 37.0 mN – 73 times more efficient than conventional methods.

The performance of photomechanical crystals depends on factors such as molecular structures, crystal properties, and experimental conditions. Achieving high blocking forces remains challenging due to the complex interplay of these factors. To overcome this challenge, the researchers utilized two machine learning techniques: LASSO regression for molecular design and Bayesian optimization for selecting experimental conditions.

The first step led to a material pool of salicylideneamine derivatives, while the second enabled efficient sampling from this pool for real-world force measurements. As a result, the team successfully maximized the blocking force, achieving up to 3.7 times greater force output compared to previously reported values and accomplishing this at least 73 times more efficiently than conventional trial-and-error method.

This breakthrough has significant implications for remote-controlled actuators, small-scale robotics, medical devices, and energy-efficient systems. Photo-actuated crystals respond to light, enabling contactless and remote operation, making them ideal robotic components working in confined or sensitive environments. Their ability to generate force noninvasively with focused light could also be valuable for microsurgical tools and drug delivery mechanisms that require precise, remote actuation.

By leveraging a cleaner energy input – light irradiation – while maximizing mechanical output, these materials hold promise for eco-friendly manufacturing processes and devices aimed at reducing overall energy consumption. The proposed technology paves the way for more sophisticated, miniaturized devices, from wearable technology to aerospace engineering and remote environmental monitoring.

In conclusion, this study highlights the power of a machine learning-driven strategy in accelerating the development of high-performance photo-actuated materials, bringing them one step closer to real-world applications and commercial viability.

Chemistry

A Single Step Forward: Revolutionizing Drug Discovery with Carbon Insertion

A research team has pioneered a groundbreaking method that could accelerate drug discovery and reduce pharmaceutical development costs. Their work introduces a safe, sustainable way to insert a single carbon atom into drug molecules at room temperature.

Avatar photo

Published

on

The discovery of new medicines is an intricate process that requires patience, precision, and creativity. A research team from the University of Oklahoma has made a groundbreaking breakthrough that could accelerate this process, making it faster, safer, and more cost-effective. Their innovative method allows for the insertion of a single carbon atom into drug molecules at room temperature, opening up new possibilities for chemical diversity without compromising sensitive structures.

Nitrogen atoms and nitrogen-containing rings, known as heterocycles, play a crucial role in medicine development. A team led by OU Presidential Professor Indrajeet Sharma has found a way to modify these rings by adding just one carbon atom using a fast-reacting chemical called sulfenylcarbene. This process, called skeletal editing, transforms existing molecules into new drug candidates.

The significance of this discovery lies in its potential to change the molecule’s biological and pharmacological properties without altering its functionalities. This could unlock uncharted regions of chemical space in drug discovery, making it easier to find effective treatments for various diseases.

Unlike previous studies that relied on potentially explosive reagents and posed significant safety concerns, Sharma’s team has developed a bench-stable reagent that generates sulfenylcarbenes under metal-free conditions at room temperature. This achievement reduces environmental and health risks associated with metal-based carbenes.

The researchers are also exploring how this chemistry could revolutionize DNA-encoded library (DEL) technology, which allows for the rapid screening of billions of small molecules for their potential to bind to disease-relevant proteins. The metal-free, room-temperature conditions of the team’s new carbon insertion strategy make it a compelling candidate for use in DEL platforms.

By enabling precise skeletal editing in collaboration with the Damian Young group at the Baylor College of Medicine, Sharma’s approach could significantly enhance the chemical diversity and biological relevance of DEL libraries. This is particularly important as these are two key bottlenecks in drug discovery.

The cost of many drugs depends on the number of steps involved in making them. Adding a carbon atom in the late stages of development can make new drugs cheaper, akin to renovating a building rather than building it from scratch. By making these drugs easier to produce at large scale, we could reduce the cost of healthcare for populations around the world.

In conclusion, Sharma’s team has pioneered a groundbreaking method that accelerates drug discovery and reduces pharmaceutical development costs. Their innovative approach has far-reaching implications for the field of medicine, making it faster, safer, and more cost-effective.

Continue Reading

Chemistry

“Nature’s Filter: Plant-Based Extracts Show Promise in Removing Microplastics from Water”

The substances behind the slimy strings from okra and the gel from fenugreek seeds could trap microplastics better than a commonly used synthetic polymer. Previously, researchers proposed using these sticky natural polymers to clean up water. Now, they report that okra and/or fenugreek extracts attracted and removed up to 90% of microplastics in ocean water, freshwater and groundwater.

Avatar photo

Published

on

The fight against microplastic pollution has taken a promising turn. Researchers have discovered that extracts from plants like okra and fenugreek can trap and remove up to 90% of these tiny plastic particles from various types of water – ocean, freshwater, and groundwater. This breakthrough, published in ACS Omega, offers a biodegradable and non-toxic alternative to synthetic polymers currently used for wastewater treatment.

Researchers led by Rajani Srinivasan have been exploring plant-based approaches to clean contaminated water. In lab experiments, they found that extracts from okra, fenugreek, and tamarind formed sticky natural polymers that clump together with microplastics, making it easy to separate them from the water. The team demonstrated successful removals in freshwater and ocean water at a meeting of the American Chemical Society.

To extract these sticky plant polymers, researchers soaked sliced okra pods and blended fenugreek seeds in water overnight. They then removed the dissolved extracts, dried them into powders, and analyzed their composition. Initial tests showed that the powdered extracts contained polysaccharides, natural polymers capable of attracting microplastics.

The researchers then tested these plant extracts on real-world samples from waterbodies around Texas. The results varied depending on the original water source: okra worked best in ocean water (80%), fenugreek in groundwater (80-90%), and a combination of both in freshwater (77%). The team hypothesizes that this difference is due to the varying types, sizes, and shapes of microplastics present in each water sample.

Currently, polyacrylamide is used for contaminant removal during wastewater treatment. However, the researchers propose using okra and fenugreek extracts as biodegradable and non-toxic alternatives.

“Utilizing these plant-based extracts in water treatment will remove microplastics and other pollutants without introducing additional toxic substances to the treated water,” says Srinivasan. “This can significantly reduce long-term health risks to the population.”

The researchers acknowledge funding from various institutions, including the U.S. Department of Energy, Tarleton State University, and the National Science Foundation Research Experiences for Undergraduates program.

Continue Reading

Air Pollution

Breaking Down Plastic Pollution: A Revolutionary New Tool for Detecting Nanoplastics and Microplastics

A team of researchers has developed a cost-effective, high-throughput technology for detecting nanoplastics and microplastics in the environment. These particles are pervasive, posing health and environmental risks, yet detecting them at the nanoscale has been difficult. The 3D-printed HoLDI-MS test platform overcomes the limitations of traditional mass spectrometry by enabling direct analysis of samples without requiring complex sample preparation. The researchers say it also will work for detection of waterborne plastic particles. HoLDI-MS stands for hollow-laser desorption/ionization mass spectrometry.

Avatar photo

Published

on

By

The world is facing an unprecedented crisis due to the proliferation of nanoplastics and microplastics in our environment. These tiny particles, often overlooked, pose significant health and environmental risks. However, detecting them at the nanoscale has been a daunting challenge. That’s why a team of researchers from McGill University has developed a groundbreaking technology that makes it possible to detect these plastic particles efficiently and accurately.

The HoLDI-MS (Hollow-Laser Desorption/Ionization Mass Spectrometry) test platform is a 3D-printed device that overcomes the limitations of traditional mass spectrometry. This innovative tool allows for direct analysis of samples without requiring complex sample preparation, making it a cost-effective and high-throughput solution.

“We’re excited to provide a method that is effective, quantitative, highly accurate, and affordable,” said Professor Parisa Ariya, who led the study published in Nature’s Communications Chemistry. “It requires little energy, is recyclable, and costs only a few dollars per sample.”

The HoLDI-MS platform has significant implications for international cooperation in combating plastic pollution. As part of their study, the researchers identified polyethylene and polydimethylsiloxanes in indoor air, as well as polycyclic aromatic hydrocarbons in outdoor air.

“This technology allows us to pinpoint the major sources of nano and microplastics in the environment,” said Professor Ariya. “More importantly, it enables data comparison and validation across laboratories worldwide, a crucial step toward harmonizing global research on plastic pollution.”

The development of HoLDI-MS is a testament to the power of interdisciplinary collaboration and innovation. Funded by organizations such as the Natural Sciences and Engineering Research Council of Canada (NSERC), the Canadian Foundation for Innovation (CFI), and National Research Council Canada (NRC), this technology has the potential to revolutionize the way we detect and address plastic pollution.

As the world continues to grapple with the consequences of plastic waste, the HoLDI-MS platform offers a beacon of hope. By providing a cost-effective and efficient solution for detecting nanoplastics and microplastics, this technology can help us take a significant step toward mitigating the impact of plastic pollution on our environment.

Continue Reading

Trending