Insights into the interactions of biomolecules with small gold clusters: a theoretical study from a DFTB perspective
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2118-7
Abstract: In this study, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption energies and… read more here.
Keywords: gold cluster; interactions biomolecules; biomolecules small; study ... See more keywords
Insights into Interactions of N-Ethylpentylone Drug with Water and Biomacromolecules
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-024-01369-5
Abstract: One of the new synthetic cathinones that has a high tendency to replace ecstasy and other established synthetic drugs is N-ethylpentylone, (NEP), due to its high potency, stimulative, hedonic and hallucinatory effects. In order to… read more here.
Keywords: interactions ethylpentylone; water biomacromolecules; ethylpentylone drug; drug water ... See more keywords
Insights into interactions between vanadium (V) bio-reduction and pentachlorophenol dechlorination in synthetic groundwater
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2019.121965
Abstract: Abstract Aquifer co-contamination by vanadium (V) and pentachlorophenol (PCP) involves complicated biogeochemical processes that remain poorly understood, particularly from the perspective of microbial metabolism. Batch experiment results demonstrated that V(V) and PCP could be competitively… read more here.
Keywords: pentachlorophenol; dechlorination; interactions vanadium; insights interactions ... See more keywords
Insights into the Interactions that Trigger the Primary Nucleation of Polymorphic α-Synuclein Dimers.
Sign Up to like & getrecommendations! Published in 2022 at "ACS chemical neuroscience"
DOI: 10.1021/acschemneuro.1c00754
Abstract: Parkinson's disease is associated with the accumulation of α-synuclein (AS) aggregates that include polymorphic AS oligomers and polymorphic fibrils. There have been advances in solving the polymorphic state of AS fibrils, both by experimental techniques… read more here.
Keywords: nucleation; insights interactions; synuclein; trigger primary ... See more keywords
Insights into the interactions of zinc-phthalocyanines with lipid bilayers for liposomal formulations.
Sign Up to like & getrecommendations! Published in 2025 at "Soft matter"
DOI: 10.1039/d5sm00660k
Abstract: Phthalocyanines (Pcs) are promising photosensitizers for photodynamic therapy (PDT). Inclusion into liposomes helps increase their bioavailability due to their hydrophobic nature. In order to elucidate the molecular interactions between Pcs and lipids employed in liposomal… read more here.
Keywords: interactions zinc; liposomal formulations; phthalocyanines lipid; insights interactions ... See more keywords
Novel Insights Into the Interactions Between the Gut Microbiome, Inflammasomes, and Gasdermins During Colorectal Cancer
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Cellular and Infection Microbiology"
DOI: 10.3389/fcimb.2021.806680
Abstract: Colorectal cancer (CRC) is one of the most prevalent and deadly forms of cancer in Western countries. Inflammation is a well-known driver of colonic carcinogenesis; however, its role in CRC extends beyond colitis-associated cancer. Over… read more here.
Keywords: insights interactions; crc; colorectal cancer; gut microbiome ... See more keywords