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Perfluoropropionic Acid-Driven Nucleation of Atmospheric Molecules under Ambient Conditions.
Medeiros FS Jr, Mota C, Chaudhuri P. Medeiros FS Jr, et al. J Phys Chem A. 2022 Nov 17;126(45):8449-8458. doi: 10.1021/acs.jpca.2c05068. Epub 2022 Nov 4. J Phys Chem A. 2022. PMID: 36331866
Among the POPs, the perfluorinated compounds, such as perfluoroalkyl carboxylic acids (C(n)F(2n+1)COOH) or PFCAs, draw a lot of attention due to their adverse effect on human health. In the present work, we employ high-level density functional theory to investigate the ele …
Among the POPs, the perfluorinated compounds, such as perfluoroalkyl carboxylic acids (C(n)F(2n+1)COOH) or PFCAs, draw a lot of atten …
Inhibition of major histocompatibility complex-I antigen presentation by sarbecovirus ORF7a proteins.
Zhang F, Zang TM, Stevenson EM, Lei X, Copertino DC, Mota TM, Boucau J, Garcia-Beltran WF, Jones RB, Bieniasz PD. Zhang F, et al. Proc Natl Acad Sci U S A. 2022 Oct 11;119(41):e2209042119. doi: 10.1073/pnas.2209042119. Epub 2022 Sep 22. Proc Natl Acad Sci U S A. 2022. PMID: 36136978 Free PMC article.
ORF7a proteins from a sample of sarbecoviruses varied in their ability to induce MHC-I down-regulation and, unlike SARS-CoV-2, the ORF7a protein from SARS-CoV lacked MHC-I downregulating activity. A single amino acid at position 59 (T/F) that is variable among sarbecovirus …
ORF7a proteins from a sample of sarbecoviruses varied in their ability to induce MHC-I down-regulation and, unlike SARS-CoV-2, the ORF7a pro …
Topological insights into the nature of the halogen-carbon bonds in dimethylhalonium ylides and their cations.
Jubert A, Okulik N, Michelini Mdel C, Mota CJ. Jubert A, et al. J Phys Chem A. 2008 Nov 13;112(45):11468-80. doi: 10.1021/jp805699x. Epub 2008 Oct 16. J Phys Chem A. 2008. PMID: 18921988
In this study the nature of the bonding in a series of dimethylhalonium ylides (fluoronium, chloronium, bromonium and iodonium) was analyzed by means of topological methodologies (AIM and ELF analysis), to document the changes in the nature of the C-X bonds (X = F, Cl, Br, …
In this study the nature of the bonding in a series of dimethylhalonium ylides (fluoronium, chloronium, bromonium and iodonium) was analyzed …