The application of Green by Design (GbD) in UV spectroscopy has proven effective in developing environmentally friendly spectrophotometric methods6,7. In this study, we conducted extensive molecular mechanical, photochemical quantum and…
Category: 6. Chemistry
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Mechanistic insights into the effects of Tris-2-butoxyethyl phosphate on multiple cancers using network toxicology and molecular docking
Impact of TBEP on lung cancer
To investigate the potential molecular mechanisms by which TBEP influences lung cancer, we identified overlapping targets between TBEP-associated proteins and lung cancer-related genes, constructed protein interaction…
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Uracil derivatives/ursolic acid hybrids – naturally derived compounds as anticancer agents
Chemistry
In this study, a series of uracil derivatives/ursolic acid hybrids have been synthesised, including eight ursoloil esters of N-monosubstituted uracil derivatives (4a-6a, 8a-10a, 5a’, 9a’) and two S-monosubstituted derivatives of…
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Computational screening of phytochemicals targeting mutant KRAS in colorectal cancer
Structure retrieval
Protein structure that was retrieved from Protein Data Bank with RCSB-PDB ID: 7SCW and resolution 1.98 as given below (Fig. 1):
Fig. 1 3D structure of KRAS gene encoding GTPase protein (PDB ID: 7SCW, Resolution: 1.98 Å). (Made…
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Intergovernmental panel on chemicals, waste and pollution needs diverse input | Opinion
The United Nations’ newly formed intergovernmental panel advising on policy around chemicals, waste and pollution faces a gargantuan and complex task. Given the complexity of negotiations so far, even the preliminary agreement to form the…
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Chemma AI model helps chemists optimise reactions faster, but experts warn against over-reliance on language models
A new large language model (LLM) named Chemma could redefine AI’s contributions to organic chemistry, offering a faster, smarter approach to reaction prediction and synthesis planning. However, some chemists remain wary, warning that scientists…
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Reactivity of helium could be unlocked by a combination of fluorine and extreme pressures | Research
A team of researchers in the US and China has calculated that extreme pressure could theoretically allow stable covalent helium–fluorine bonds to form, challenging the idea that helium is a chemically inert element.
Noble gases get their…
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US EPA accused of skewing soil testing data after East Palestine disaster | News
A whistleblower group has claimed that the US Environmental Protection Agency (EPA) helped Norfolk Southern Railway manipulate soil testing data after the catastrophic 2023 train derailment in East Palestine, Ohio, to hide the scale of the…
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Clathrate material’s crystal structure finally solved, 80 years after it was first discovered | Research
The exact crystal structure of the stable form of a widely used semiclathrate hydrate has finally been elucidated – 80 years after the material was first discovered. The work provides deeper understanding for researchers aiming to use these…
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The additional costs of visas | Careers
Studying or working abroad is often cited as an important experience for early-career researchers. But this mobility is easier for some people to access than others. There are various barriers such as financial costs, family ties and health…
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