FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2158684328> ?p ?o ?g. }

• W2158684328 endingPage "710" @default.
• W2158684328 startingPage "699" @default.
• W2158684328 abstract "Single crystal X-ray diffraction showed that crystals of [Cu(TERPY)(H2O)2][Cu(TERPY)(ADP)][H2ADP]·16H2O [TERPY = 2,2′∶6′∶2″-terpyridine; ADP = adenosine 5′-diphosphate(3-)] belong to the triclinic system, space group P1 (no. 1) and contain free nucleotide molecules, nucleotide molecules linked to the metal centre of Cu(TERPY)2+ units, [Cu(TERPY)(H2O)2]2+ complexes and free water molecules. The molecules of free nucleotide, [Cu(TERPY)(ADP)]– and [Cu(TERPY)(H2O)2]2+ >are clustered together and interact via the phosphate moieties and the >Cu(H2O)22+ group. An extensive web of hydrogen bonds holds the three molecules oriented in such a way that the most hydrophobic regions (TERPY) occupy the perimeter of a pocket which contains the pyrophosphate systems. Stacking interactions between the adenine rings and the TERPY ligands stabilize the supramolecular aggregates. Owing to the high content of cocrystallized water molecules the nucleotides have an environment similar to the aqueous phase. The analysis of the Fourier-difference map and of the geometrical parameters of the molecules is consistent with a model in which the free nucleotide molecule is protonated at N(1) and phosphate(β), whereas the copper-bound nucleotide molecule is fully deprotonated as regards the N(1) and phosphate oxygen atoms. The phosphate(β) of the copper-bound nucleotide behaves as a better ligand than phosphate(α) [Cu–O, 1.919(8) and 2.244(10) Å, respectively]. The chelation to the metal of the pyrophosphate moiety causes a lengthening of 0.040(9) Å of the P(β)–OP bond with respect to P(α)–OP. A density functional analysis at the B3LYP/LANL2DZ level was carried out on P2O74–, HP2O73–, [Cu(O,O-PO4)]–, [Cu{O(α),O(β)-P2O7}]2–, [Zn{O(α),O(β)-P2O7}]2–, [Zn{O(α),O(β)-HP2O7}(H2O)(OH)]2–, [Cu{O(α),O(β)-HP2O7}(NH3)3]– and [Zn{O(α),O(β)-HP2O7}(NH3)2]–·NH3. The computational procedure was able to reproduce the overall conformation (bond and torsion angles) of the pyrophosphate group as well as the structure of the co-ordination ring found in the solid state. The computed fully optimized structure for [Cu{O(α),O(β)-P2O7}]2– has a Cu–O bond distance of 1.837 Å and the co-ordination ring has a boat-envelope conformation, in agreement with the experimental structure found for the metal-bound nucleotide molecule." @default.
• W2158684328 created "2016-06-24" @default.
• W2158684328 creator A5012950346 @default.
• W2158684328 creator A5035454717 @default.
• W2158684328 date "1999-01-01" @default.
• W2158684328 modified "2023-09-30" @default.
• W2158684328 title "Supramolecular networks via hydrogen bonding and stacking interactions for adenosine 5′-diphosphate. Synthesis and crystal structure of diaqua(2,2′∶6′,2″-terpyridine)copper(II) [adenosine 5′-diphosphato(3−)](2,2′∶6′,2″-terpyridine)cuprate(II) adenosine 5′-diphosphate(1−) hexadecahydrate and density functional geometry optimization analysis of copper(II)- and zinc(II)-pyrophosphate complexes" @default.
• W2158684328 cites W105839754 @default.
• W2158684328 cites W1568415783 @default.
• W2158684328 cites W1628749276 @default.
• W2158684328 cites W1658221551 @default.
• W2158684328 cites W1966182479 @default.
• W2158684328 cites W1982195465 @default.
• W2158684328 cites W1982414593 @default.
• W2158684328 cites W1982428546 @default.
• W2158684328 cites W1994987544 @default.
• W2158684328 cites W2000530883 @default.
• W2158684328 cites W2001841298 @default.
• W2158684328 cites W2011015384 @default.
• W2158684328 cites W2014037636 @default.
• W2158684328 cites W2025571106 @default.
• W2158684328 cites W2030696383 @default.
• W2158684328 cites W2030841140 @default.
• W2158684328 cites W2043858812 @default.
• W2158684328 cites W2054967551 @default.
• W2158684328 cites W2056720891 @default.
• W2158684328 cites W2061294794 @default.
• W2158684328 cites W2061822610 @default.
• W2158684328 cites W2062073331 @default.
• W2158684328 cites W2075381847 @default.
• W2158684328 cites W2075798268 @default.
• W2158684328 cites W2083967295 @default.
• W2158684328 cites W2085325671 @default.
• W2158684328 cites W2088257865 @default.
• W2158684328 cites W2128179591 @default.
• W2158684328 cites W2150445050 @default.
• W2158684328 cites W2329349276 @default.
• W2158684328 cites W2949191179 @default.
• W2158684328 doi "https://doi.org/10.1039/a807793b" @default.
• W2158684328 hasPublicationYear "1999" @default.
• W2158684328 type Work @default.
• W2158684328 sameAs 2158684328 @default.
• W2158684328 citedByCount "29" @default.
• W2158684328 countsByYear W21586843282015 @default.
• W2158684328 countsByYear W21586843282017 @default.
• W2158684328 countsByYear W21586843282018 @default.
• W2158684328 countsByYear W21586843282021 @default.
• W2158684328 countsByYear W21586843282022 @default.
• W2158684328 countsByYear W21586843282023 @default.
• W2158684328 crossrefType "journal-article" @default.
• W2158684328 hasAuthorship W2158684328A5012950346 @default.
• W2158684328 hasAuthorship W2158684328A5035454717 @default.
• W2158684328 hasConcept C104317684 @default.
• W2158684328 hasConcept C112887158 @default.
• W2158684328 hasConcept C115624301 @default.
• W2158684328 hasConcept C118629725 @default.
• W2158684328 hasConcept C145148216 @default.
• W2158684328 hasConcept C178790620 @default.
• W2158684328 hasConcept C181199279 @default.
• W2158684328 hasConcept C185592680 @default.
• W2158684328 hasConcept C2776043855 @default.
• W2158684328 hasConcept C2776568683 @default.
• W2158684328 hasConcept C2781350956 @default.
• W2158684328 hasConcept C30095370 @default.
• W2158684328 hasConcept C32909587 @default.
• W2158684328 hasConcept C33347731 @default.
• W2158684328 hasConcept C42228675 @default.
• W2158684328 hasConcept C512185932 @default.
• W2158684328 hasConcept C544153396 @default.
• W2158684328 hasConcept C55493867 @default.
• W2158684328 hasConcept C71240020 @default.
• W2158684328 hasConcept C8010536 @default.
• W2158684328 hasConcept C93275456 @default.
• W2158684328 hasConceptScore W2158684328C104317684 @default.
• W2158684328 hasConceptScore W2158684328C112887158 @default.
• W2158684328 hasConceptScore W2158684328C115624301 @default.
• W2158684328 hasConceptScore W2158684328C118629725 @default.
• W2158684328 hasConceptScore W2158684328C145148216 @default.
• W2158684328 hasConceptScore W2158684328C178790620 @default.
• W2158684328 hasConceptScore W2158684328C181199279 @default.
• W2158684328 hasConceptScore W2158684328C185592680 @default.
• W2158684328 hasConceptScore W2158684328C2776043855 @default.
• W2158684328 hasConceptScore W2158684328C2776568683 @default.
• W2158684328 hasConceptScore W2158684328C2781350956 @default.
• W2158684328 hasConceptScore W2158684328C30095370 @default.
• W2158684328 hasConceptScore W2158684328C32909587 @default.
• W2158684328 hasConceptScore W2158684328C33347731 @default.
• W2158684328 hasConceptScore W2158684328C42228675 @default.
• W2158684328 hasConceptScore W2158684328C512185932 @default.
• W2158684328 hasConceptScore W2158684328C544153396 @default.
• W2158684328 hasConceptScore W2158684328C55493867 @default.
• W2158684328 hasConceptScore W2158684328C71240020 @default.
• W2158684328 hasConceptScore W2158684328C8010536 @default.
• W2158684328 hasConceptScore W2158684328C93275456 @default.
• W2158684328 hasIssue "5" @default.
• W2158684328 hasLocation W21586843281 @default.
• W2158684328 hasOpenAccess W2158684328 @default.
• W2158684328 hasPrimaryLocation W21586843281 @default.

• next