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New strategy for assessing the applicability of reactions

Chemists develop new reactions using model systems and substrates to demonstrate versatility. A new computer-aided method reduces subjective bias by analyzing real pharmaceutical compounds' complexity and structural properties. This improves data quality and facilitates machine learning applications.

SourceUniversity of Münster·JournalACS Central Science·TypeComputational simulation/modeling·DateApr 10, 2024

How scientists are accelerating chemistry discoveries with automation

A new statistical-modeling workflow can quickly identify molecular structures of products formed by chemical reactions, accelerating drug discovery and synthetic chemistry. The workflow also enables the analysis of unpurified reaction mixtures, reducing time spent on purification and characterization.

SourceDOE/Lawrence Berkeley National Laboratory·JournalJournal of Chemical Information and Modeling·TypeData/statistical analysis·DateApr 8, 2024

Filming ultrafast molecular motions in single crystal

Scientists have applied time-resolved serial femtosecond crystallography (TR-SFX) to study molecular motion in real-time with atomic resolution, revealing three pathways of structural change in a porous coordination network sample. This breakthrough unlocks new opportunities for investigating chemical systems and material science.

SourceInstitute for Basic Science·JournalNature Chemistry·TypeExperimental study·DateMar 25, 2024

A reliable and efficient computational method for finding transition states in chemical reactions

Researchers have developed a reliable and efficient computational method to find transition states in chemical reactions, reducing computational costs by 50-70%. The new method outperforms existing methods like Nudged Elastic Band (NEB), achieving high accuracy in identifying transition states in 98% of cases.

SourceNational Institutes of Natural Sciences·JournalJournal of Chemical Theory and Computation·TypeData/statistical analysis·DateMar 22, 2024

Rice storage under controlled conditions: Changes in its physicochemical and functional properties

Researchers discovered controlled storage affects rice's physicochemical properties, including gelatinization degree and water absorption capacity. The study suggests optimal temperatures can enhance cooked rice quality, offering farmers a practical strategy to minimize pest contamination risks.

SourceEscuela Superior Politecnica del Litoral·JournalJournal of Stored Products Research·TypeExperimental study·DateMar 11, 2024

Breakthrough in nanostructure technology for real-time color display

Researchers at UNIST have developed a groundbreaking technology that enables the real-time display of colors and shapes through changes in nanostructures. Utilizing block copolymers, they achieved the self-assembly of photonic crystal structures on a large scale, mimicking natural phenomena observed in butterfly wings and bird feathers.

Carnegie Mellon researchers develop new machine learning method for modeling of chemical reactions

Researchers at Carnegie Mellon University have created a new machine learning model that can simulate reactive processes in diverse organic materials and conditions. The model, called ANI-1xnr, performs simulations with significantly less computing power and time than traditional quantum mechanics models.

SourceCarnegie Mellon University·JournalNature Chemistry·TypeComputational simulation/modeling·DateMar 7, 2024

Light stimulates a new twist for synthetic chemistry

Researchers at Hokkaido University have developed a new category of molecules that can undergo internal rotation on interaction with light, opening possibilities for photochemical switching functions and bioactive molecules. This breakthrough could lead to precisely targeted applications in biological systems and eventual therapeutic p...

SourceHokkaido University·JournalNature Chemistry·TypeExperimental study·DateFeb 28, 2024

Chemistry professor R. Graham Cooks expands research of water droplet interfaces that offer the secret ingredient for building life

Researchers have found that the key step to protein formation can occur in droplets of pure water, where amino acids connect to form peptides with the same 'L' handedness. The discovery resolves a paradox and provides new insights into the early stages of life's chemical evolution.

SourcePurdue University·JournalProceedings of the National Academy of Sciences·DateJan 24, 2024

Breakthrough in organic semiconductor synthesis paves the way for advanced electronic devices

Researchers at UNIST have achieved a significant breakthrough in organic semiconductor synthesis by synthesizing a novel molecule called BNBN anthracene. This derivative exhibits unique properties, including precise modulation of electronic properties without structural changes.

SourceUlsan National Institute of Science and Technology(UNIST)·JournalAngewandte Chemie International Edition·DateDec 29, 2023

The little things matter: Chemists develop new sensor for microvolume pH detection

Researchers at Xi'an Jiaotong-Liverpool University have developed a sensitive and robust pH sensor that can detect pH variation in just a few microliters of samples. The new sensor uses novel materials and methods to overcome the current method's limitations, which are not sensitive enough or fragile for commercial-scale use.

SourceXi'an Jiaotong-Liverpool University·JournalMicrochimica Acta·TypeExperimental study·DateNov 3, 2023

Chemical process makes peptide acquire structure similar to amyloid plaques found in neurodegenerative diseases

Scientists identify pyroglutamination, a spontaneous chemical change, in peptide synthesis, leading to an amyloidal structure and potential implications for neurodegenerative diseases like Alzheimer's and Parkinson's. The process favors aggregation of molecules, forming plaques that interrupt neuronal flow.

DOE backs Rice study of how soils store carbon

Researchers will track how key minerals form in a watershed to build a fuller picture of the processes that allow soil to store carbon as organic matter. Understanding these mechanisms can help develop practices and incentives for a carbon market economy, potentially harnessing Earth's natural mechanisms to combat climate change.

Gwangju Institute of Science and Technology researchers develop highly efficient organometal halide perovskite photoelectrodes for water splitting

Researchers have developed a highly efficient organometal halide perovskite photoanode that suppresses internal and external losses associated with photoelectrochemical water splitting, enhancing reaction kinetics. The new design achieves an unprecedented applied bias photon-to-current conversion efficiency of 12.79%.

SourceGIST (Gwangju Institute of Science and Technology)·JournalAdvanced Energy Materials·TypeExperimental study·DateAug 9, 2023

Transcription factors contribute to subtypes of colorectal cancers

Researchers found that expression of transcription factors contributes to different subtypes of colorectal cancers. The degree of DNA methylation varies across tissue types, with some cancers having high and others low frequency of methylation gains. Studying transcription factor expression may help determine overall survival in patien...

SourceJohns Hopkins Medicine·JournalProceedings of the National Academy of Sciences·DateJul 27, 2023

Turning waste heat into energy

The team created a thermocell using a hydrogel that reacted to temperature changes, converting latent heat into electricity. This breakthrough supports the idea that various materials can be used for thermoelectric conversion, potentially reducing reliance on other energy sources and improving cooling systems.

SourceUniversity of Tokyo·JournalAdvanced Materials·TypeExperimental study·DateJul 18, 2023

Virtual exploration of chemical reactions

Researchers from Hokkaido University developed a centralized, interactive platform to explore and analyze chemical reaction pathways. The Searching Chemical Action and Network (SCAN) platform utilizes AFIR calculations to provide an interactive reaction pathway map that can be searched and viewed.

SourceHokkaido University·JournalDigital Discovery·TypeComputational simulation/modeling·DateJul 3, 2023