PMID-sentid Pub_year Sent_text comp_official_name comp_offset protein_name organism prot_offset 27840883-1 2016 The AtO+ cation is one of the main chemical forms that appear in the astatine Pourbaix diagram. Astatine 69-77 splicing factor-like protein Arabidopsis thaliana 4-7 32960574-1 2020 The affinity of AtO+ for around 20 model ligands (L), carrying functionalized oxygen, sulfur, and nitrogen atoms, has been assessed through a combined experimental and theoretical methodology. Oxygen 78-84 splicing factor-like protein Arabidopsis thaliana 16-19 32960574-1 2020 The affinity of AtO+ for around 20 model ligands (L), carrying functionalized oxygen, sulfur, and nitrogen atoms, has been assessed through a combined experimental and theoretical methodology. Sulfur 86-92 splicing factor-like protein Arabidopsis thaliana 16-19 32960574-1 2020 The affinity of AtO+ for around 20 model ligands (L), carrying functionalized oxygen, sulfur, and nitrogen atoms, has been assessed through a combined experimental and theoretical methodology. Nitrogen 98-106 splicing factor-like protein Arabidopsis thaliana 16-19 32960574-4 2020 The quantum mechanical calculations definitively ruled out any rationale based on either the metallic character of astatine or its guessed softness; the favored interactions all involve specifically the oxygen atom of AtO+, leading to the formation of covalent O-S or O-C single bonds. Astatine 115-123 splicing factor-like protein Arabidopsis thaliana 218-221 32960574-4 2020 The quantum mechanical calculations definitively ruled out any rationale based on either the metallic character of astatine or its guessed softness; the favored interactions all involve specifically the oxygen atom of AtO+, leading to the formation of covalent O-S or O-C single bonds. Astatine 115-123 splicing factor-like protein Arabidopsis thaliana 220-221 32960574-4 2020 The quantum mechanical calculations definitively ruled out any rationale based on either the metallic character of astatine or its guessed softness; the favored interactions all involve specifically the oxygen atom of AtO+, leading to the formation of covalent O-S or O-C single bonds. Oxygen 203-209 splicing factor-like protein Arabidopsis thaliana 218-221 32960574-4 2020 The quantum mechanical calculations definitively ruled out any rationale based on either the metallic character of astatine or its guessed softness; the favored interactions all involve specifically the oxygen atom of AtO+, leading to the formation of covalent O-S or O-C single bonds. Oxygen 203-209 splicing factor-like protein Arabidopsis thaliana 220-221 32960574-4 2020 The quantum mechanical calculations definitively ruled out any rationale based on either the metallic character of astatine or its guessed softness; the favored interactions all involve specifically the oxygen atom of AtO+, leading to the formation of covalent O-S or O-C single bonds. Oxygen 203-209 splicing factor-like protein Arabidopsis thaliana 261-262 32638758-0 2020 Astatine partitioning between nitric acid and conventional solvents: indication of covalency in ketone complexation of AtO. Astatine 0-8 splicing factor-like protein Arabidopsis thaliana 119-122 32638758-0 2020 Astatine partitioning between nitric acid and conventional solvents: indication of covalency in ketone complexation of AtO. Ketones 96-102 splicing factor-like protein Arabidopsis thaliana 119-122 23944251-4 2013 Investigating AtO(+) clustered with an increasing number of water molecules and using various flavors of relativistic quantum methods, we found that AtO(+) adopts in solution a Kramers restricted closed-shell configuration resembling a scalar-relativistic singlet. Water 60-65 splicing factor-like protein Arabidopsis thaliana 149-152 26773333-0 2016 Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 (-) over At(-) in Basic Conditions. Astatine 37-45 splicing factor-like protein Arabidopsis thaliana 81-84 24618746-3 2014 These wavefunction calculations indicate that the ground state for the AtO(+) and AtO(+)-H2O systems is the Omega = 0(+) component of the (3)Sigma(-) LS state, which is quite well separated (by 0.5 eV) from the Omega = 1 components of the same state and from the Omega = 2 state related to the (1)Delta LS state (by 1 eV). Water 89-92 splicing factor-like protein Arabidopsis thaliana 71-74 24618746-3 2014 These wavefunction calculations indicate that the ground state for the AtO(+) and AtO(+)-H2O systems is the Omega = 0(+) component of the (3)Sigma(-) LS state, which is quite well separated (by 0.5 eV) from the Omega = 1 components of the same state and from the Omega = 2 state related to the (1)Delta LS state (by 1 eV). Water 89-92 splicing factor-like protein Arabidopsis thaliana 82-85 24618746-5 2014 These results indicate the ingredients necessary for devising a DFA-based computational protocol applicable to the study of the properties of large AtO(+) clusters so that it may (at least) qualitatively reproduce reliable reference (SO-NEVPT2) calculations. Diphenylamine 64-67 splicing factor-like protein Arabidopsis thaliana 148-151 23537101-2 2013 Using relativistic quantum calculations, coupled to implicit solvation models, on the most stable AtO(+)(H2O)6 clusters, we demonstrate that specific interactions with water molecules of the first solvation shell induce a spin change for the AtO(+) ground state, from a spin state of triplet character in the gas phase to a Kramers-restricted closed-shell configuration in solution. Water 168-173 splicing factor-like protein Arabidopsis thaliana 98-101 23537101-2 2013 Using relativistic quantum calculations, coupled to implicit solvation models, on the most stable AtO(+)(H2O)6 clusters, we demonstrate that specific interactions with water molecules of the first solvation shell induce a spin change for the AtO(+) ground state, from a spin state of triplet character in the gas phase to a Kramers-restricted closed-shell configuration in solution. Water 168-173 splicing factor-like protein Arabidopsis thaliana 242-245 23537101-3 2013 This peculiarity allows rationalization of the AtO(+) reactivity with closed-shell species in aqueous solution and may explain the differences in astatine reactivity observed in (211)At production protocols based on "wet" and "dry" processes. Astatine 146-154 splicing factor-like protein Arabidopsis thaliana 47-50 20014840-6 2010 The three oxidation states present in the range of water stability are At(-I), At(+I), and At(+III) and exist as At(-), At(+), and AtO(+), respectively, in the 1-2 pH range. Water 51-56 splicing factor-like protein Arabidopsis thaliana 131-134