A Sparse Bayesian Committee Machine Potential for Oxygen-Containing Organic Compounds

Chemistry, Organic Chemistry, Physical Chemistry, Computational Chemistry, Chemical Engineering, Materials Science,
machine learning   Bayesian committee machine   oxygen-containing organic compounds   interatomic potentials   computational chemistry  

Academic Background In the fields of materials science and chemistry, understanding the properties of materials at the atomic level is crucial. However, traditional methods for calculating interatomic potentials, such as Density Functional Theory (DFT), while highly accurate, are computationally expensive and difficult to apply to large-scale syste...

Nickel-Mediated Aerobic C(sp2)–Nucleophile Coupling Reactions for Late-Stage Diversification of Aryl Electrophiles

Chemistry, Organic Chemistry, Medicinal Chemistry, Catalysis,
Nickel catalysis   C(sp2)–nucleophile coupling   Aryl electrophiles   Late-stage diversification   Oxidation reactions  

In the field of medicinal chemistry, molecular diversification is a crucial step in the discovery of new drugs. However, existing catalytic methods often face challenges when dealing with complex drug molecules, as these molecules are typically more complex than simple substrates. In particular, the formation of carbon-heteroatom (C–X) bonds is an ...

Late-Stage Deuteration and Tritiation through Bioinspired Cooperative Hydrogenolysis

Chemistry, Organic Chemistry, Medicinal Chemistry, Catalysis,
hydrogenolysis   deuteration   tritiation   bioinspired   homogeneous catalysis  

Academic Background Hydrogenolysis, a fundamental chemical reaction that breaks chemical bonds through the addition of molecular hydrogen, is widely used in the upgrading of biomass, petroleum, and other feedstocks into high-value chemicals and fuels. Additionally, hydrogenolysis plays a crucial role in the pharmaceutical and fine chemical industri...

Cryptoic Acids A and B, Benzene-Containing Polyketides, and Cyclocryptamide, a Modified Diketopiperazine, from an Actinomycete of the Genus Cryptosporangium

Chemistry, Organic Chemistry, Medicinal Chemistry, Life Sciences, Biochemistry, Microbiology,
Cryptosporangium   polyketides   diketopiperazine   biological activity   actinomycetes   natural products   drug discovery  

Novel Benzene-Containing Polyketides and Modified Diketopiperazine from Actinomycete of the Genus Cryptosporangium Academic Background Microbial natural products hold significant value in drug development, particularly actinomycetes, which provide a rich source of various therapeutic compounds, such as aminoglycosides, macrolides, and tetracyclines...

Structure-Function Analysis of 2-Sulfamoylacetic Acid Synthase in Altemicidin Biosynthesis

Chemistry, Organic Chemistry, Medicinal Chemistry, Life Sciences, Biochemistry,
Altemicidin   2-Sulfamoylacetic Acid Synthase   Enzyme Engineering   Antibiotics   Biosynthesis   Structure-Function Analysis   Catalytic Mechanism  

Structure-Function Analysis of 2-Sulfamoylacetic Acid Synthase in Altemicidin Biosynthesis Academic Background Sulfonamide antibiotics, such as altemicidin and its analogs, have garnered significant attention due to their notable antitumor and antibacterial activities. These compounds feature a rare sulfonamide side chain, which holds great importa...

Novel Coumarins Derivatives for A. baumannii Lung Infection Developed by High-throughput Screening and Reinforcement Learning

Chemistry, Organic Chemistry, Medicinal Chemistry, Medicine, Infectious Diseases,
A. baumannii   coumarins   lung infection   high-throughput screening   reinforcement learning   structure optimization  

Review of Research on Treatment of Lung Infections with Novel Coumarin Derivatives Background With the increasing antibiotic resistance, especially the problem of Acinetobacter baumannii’s resistance to antibiotics, researchers worldwide have begun to search for new antimicrobial agents. This Gram-negative bacterium, with its high survivability and...

High-yield Porphyrin Production Through Metabolic Engineering and Biocatalysis

High-yield Porphyrin Production Through Metabolic Engineering and Biocatalysis

Chemistry, Organic Chemistry, Catalysis, Chemical Engineering, Life Sciences, Biochemistry, Bioengineering,
metabolic engineering   biocatalysis   porphyrin   heme   zincphyrin   bacteria   fermentation  

This study was published in the journal Nature Biotechnology, with the doi 10.1038/s41587-024-02267-3. The corresponding authors are Haihong Chen and Yaohong Wang from East China University of Science and Technology, and the publication date is April 26, 2024. The article investigates the high-yield production of chlorophyll through metabolic engin...

Supramolecular Assembly Activated Single-Molecule Phosphorescence Resonance Energy Transfer for Near-Infrared Targeted Cell Imaging

Chemistry, Organic Chemistry, Nanoscience, Medicinal Chemistry, Life Sciences, Biochemistry, Biophysics,
supramolecular assembly   single-molecule phosphorescence   resonance energy transfer   near-infrared imaging   cancer targeting  

Supramolecular Assembly-Activated Single-Molecule Phosphorescence Resonance Energy Transfer for Near-Infrared Targeted Cell Imaging In recent years, pure organic phosphorescence resonance energy transfer (PRET) research has become a hot topic. In this paper, the authors constructed a single-molecule PRET system with a large Stokes shift (367 nm) an...