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Query: UNIPROT:Q86TM3 (cage)
 29,987 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

A metal-organic polyhedron of truncated octahedral geometry augmented with a C(4)-symmetric square-planar Cu(II) paddle-wheel node as a secondary building unit can be prepared using a C(3)-symmetric ligand that occupies the face of the octahedral cage, where the three phenyl groups containing a m-carboxylate group in the ligand provide the necessary curvature to form the finite octahedral cage.
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PMID:Metal-organic polyhedron based on a Cu(II) paddle-wheel secondary building unit at the truncated octahedron corners. 1915 42

Reaction of cupric salts with H(2)Rppz (R = H, Me; H(2)ppz = 3-(2-hydroxyphenyl)pyrazole; H(2)Meppz = 3-(2-hydroxy-5-methylphenyl)pyrazole) in the presence of sodium azide and triethylamine as bases gave two high-nuclearity copper cage compounds [HNEt(3)](2)[Cu(21)(CH(3)CN)(2)(H(2)O)(mu(2)-N(3))(6)(mu(3)-N(3))(2)(ppz)(18)](H(2)O)(3)(EtOH)(2) (1) and [Cu(16)(EtOH)(2)(H(2)O)(2)(Meppz)(16)]9.5 H(2)O (2), respectively. X-ray crystallographic studies revealed that molecular skeletons of 1 and 2 are unique tricorne Cu(21) and saddlelike cyclic Cu(16) aggregates, respectively. The magnetic properties studies showed overall antiferromagnetic interactions in 1 and 2. Quantum Monte Carlo simulations by using a 3-J model for 1 and a 2-J model for 2 were performed, which indicated that the magnetic couplings within the triangular copper units in 1 are ferromagnetic and those between other copper ions are antiferromagnetic, whereas in 2 all magnetic couplings between adjacent copper ions are exclusively antiferromagnetic.
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PMID:Self-assembly of high-nuclearity copper cages: tricorne Cu21 and saddlelike cyclic Cu16. 1918 May 97

1. The aim of the present study was to determine the optimal content of organically complexed zinc (Zn) for broiler chickens. 2. Five different Zn and manganese (Mn) dietary contents from organically complexed supplements including a control diet containing 15 mg Mn and 20 mg Zn/kg diet, were randomly fed to one-day-old Cobb broilers (each treatment had 6 replicates of 4 birds) for 35 d. Body weight and feed intake were recorded weekly. At the end of the experiment, two birds from each cage were killed and their right tibia were collected to measure bone size, strength and mineral contents. 3. Body weight gain and total tibia copper (Cu), iron (Fe), Mn and Zn contents increased linearly with supplemental Zn and Mn intake. The optimal Zn requirements for broilers at 1-14 and 14-35 d of age were 58 and 68 mg/kg diet, respectively. 4. Supplementation of Mn and Zn had no effect on tibia bone width and strength, but increased tibia length. 5. In commercial practice, organically complexed Zn may need to be supplemented during the entire period of production at a higher content than NRC recommendation but it is not necessary to exceed 70 mg/kg diet.
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PMID:Optimal dietary inclusion of organically complexed zinc for broiler chickens. 1923 34

Reaction of [Cu(CH(3)CN)(4)](PF(6)) and NH(4)[S(2)P(OR)(2)] in a 4:3 ratio in acetone at room temperature produces octanuclear dicationic copper complexes [Cu(8){S(2)P(OR)(2)}(6)](PF(6))(2) (R = (i)Pr, 1; Et, 3) in 81 and 83% yields, respectively. On the other hand, reaction of [Cu(CH(3)CN)(4)](PF(6)), NH(4)[S(2)P(OR)(2)], and NaBH(4) in an 8:6:1 molar ratio in THF for 1 h yields [Cu(4)(H)(mu(3)-Cu)(4){S(2)P(OR)(2)}(6)](PF(6)) (R = (i)Pr, 2a; Et, 4a) in 87 and 82% yields, respectively. In a similar reaction when NaBD(4) is used instead of NaBH(4), [Cu(4)(D)(mu(3)-Cu)(4){S(2)P(OR)(2)}(6)](PF(6)) (R = (i)Pr, 2b; Et, 4b) are obtained in 83 and 78% yields, respectively. Structural elucidations of 2a and 4a reveal the tetracapped tetrahedral Cu(8) cage with an interstitial hydride. Each of the Cu(I) centers is trigonally coordinated by three S atoms, and each of the six dithiophosphate ligands is connected to a Cu(4) butterfly, where the hinge positions are occupied by two copper atoms situated at the vertex of the central tetrahedron and the wingtips are two capping Cu atoms. The 12 S atoms out of the six ligands constitute an icosahedron around the hydride-centered tetracapped tetrahedral Cu(8) framework. Surprisingly, empty Cu(8) clusters 1 and 3 can abstract hydride (or deuteride) from NaBH(4) (or NaBD(4)) in THF to form 2a and 4a (or 2b and 4b), respectively. Apparently the cubic Cu(8) core, which is known to be formed in the reaction of Cu(I) salt and dichalcogenophosph(in)ate ligands, undergoes a tetrahedral contraction due to the strong Cu...H interactions. Interestingly, the chloride can also be replaced from the chloride-centered Cu(8) complex of [Cu(8)(Cl){S(2)P(OEt)(2)}(6)](PF(6)) by hydride (or deuteride) to form 2a and 4a (or 2b and 4b). However, the hydride- and deuteride-centered compounds 2a,b and 4a,b do not allow the guest exchange.
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PMID:Facile entrapment of a hydride inside the tetracapped tetrahedral Cu(I)8 cage inscribed in a S12 icosahedral framework. 1932 86

Motivated by the discovery of the superatom states of C60 molecules, we investigate the factors that influence their energy and wave function hybridization into nearly free electron bands in molecular solids. As the n = 3 solutions of the radial Schrodinger equation of the central attractive potential consisting of the short-range C atom core and the long-range collective screening potentials, respectively, located on the icosahedral C60 molecule shell and within its hollow core, superatom states are distinguished by their atom-like orbitals corresponding to different orbital angular momentum states (l = 0, 1, 2,...). Because they are less tightly bound than the pi orbitals, that is, the n = 2 states, which are often exploited in the intermolecular electron transport in aromatic organic molecule semiconductors, superatom orbitals hybridize more extensively among aggregated molecules to form bands with nearly free electron dispersion. The prospect of exploiting the strong intermolecular coupling to achieve metal-like conduction in applications such as molecular electronics may be attained by lowering the energy of superatom states from 3.5 eV for single chemisorbed C60 molecules to below the Fermi level; therefore, we study how the superatom state energies depend on factors such as their aggregation into 1D-3D solids, cage size, and exo- and endohedral doping by metal atoms. We find, indeed, that if the ionization potential of endohedral atom, such as copper, is sufficiently large, superatom states can form the conduction band in the middle of the gap between the HOMO and LUMO of the parent C60 molecule. Through a plane-wave density functional theory study, we provide insights for a new paradigm for intermolecular electronic interaction beyond the conventional one among the sp(n) hybridized orbitals of the organic molecular solids that could lead to design of novel molecular materials and quantum structures with extraordinary optical and electronic properties.
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PMID:The superatom states of fullerenes and their hybridization into the nearly free electron bands of fullerites. 1935 Nov 48

A series of trinuclear copper(II) complexes of general formula A(6)[Cu(3)L(2)] x nH(2)O [L = benzene-1,3,5-tris(oxamate); A = Li(+) (n = 8), 1a; Na(+) (n = 11.5), 1b; and K(+) (n = 8.5), 1c] have been synthesized, and they have been structurally and magnetically characterized. X-ray diffraction on single crystals of 1c shows the presence of three square-planar copper(II)-bis(oxamato) moieties which are connected by a double benzene-1,3,5-triyl skeleton to give a unique metallacyclophane-type triangular cage. The copper basal planes are virtually orthogonal to the two benzene rings, which adopt an almost perfect face-to-face alignment. Complexes 1a-c exhibit a quartet (S = 3/2) ground spin state resulting from the moderate ferromagnetic coupling (J values in the range of +7.3 to +16.5 cm(-1)) between the three Cu(II) ions across the two benzene-1,3,5-tris(amidate) bridges [H = -J(S(1) x S(2) + S(2) x S(3) + S(3) x S(1)) with S(1) = S(2) = S(3) = S(Cu) = 1/2]. Density functional theory calculations on the S = 3/2 Cu(II)(3) ground spin state of 1c support the occurrence of a spin polarization mechanism for the propagation of the exchange interaction, as evidenced by the sign alternation of the spin density in the 1,3,5-substituted benzene spacers.
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PMID:Ferromagnetic coupling by spin polarization in a trinuclear copper(II) metallacyclophane with a triangular cage-like structure. 1940 27

The quantitative preparation of heteroleptic copper(I) complexes arising from a combination of 2,9-diarylphenanthrolines and iminopyridines (Schiff bases) is described. This strategy was applied to construct mono- and binuclear complexes but equally a discrete three-dimensional M(3)LL' cage. By means of a constitutional dynamic synthesis, the heteroleptic aggregates were equally prepared from four-component mixtures using the copper(I) center as a catalyst for the in situ generation of the iminopyridine ligands.
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PMID:Combining dynamic heteroleptic complex formation with constitutional dynamic synthesis: a facile way to M3LL' cage assemblies. 1952 7

Copper-64 shows promise as both a suitable PET imaging and therapeutic radionuclide due to its nuclear characteristics. Stable attachment of radioactive (64)Cu(2+) to targeted imaging probes requires the use of a bifunctional chelator. Sarcophagine (Sar) ligands coordinate the metal ion (64)Cu(2+) within the multiple macrocyclic rings comprising the cage structure, yielding extraordinarily stable complexes that are inert to dissociation of the metal ion in vivo. Several (64)Cu labelled RGD derivatives have been applied in imaging of the alpha(nu)beta(3) integrin receptor expression during tumour angiogenesis. In order to design and develop novel molecular imaging probes containing RGD and Sar ligands, we designed a novel versatile Sar cage-like bifunctional chelator named AmBaSar, synthesized using a conventional synthetic strategy. Conjugation with the cyclic peptide RGD, and subsequent labelling with (64)Cu, provided a new PET probe (64)Cu-AmBaSar-RGD for imaging the alpha(nu)beta(3) integrin receptor.
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PMID:Synthesis of a novel bifunctional chelator AmBaSar based on sarcophagine for peptide conjugation and (64)Cu radiolabelling. 1956 91

A prism-shaped spin cage, in which two radical panels were aligned in a face-to-face fashion at a distance of 6.8 A, efficiently induced through-space metal-radical spin-spin interaction by encapsulation of a planar copper complex.
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PMID:Engineering noncovalent spin-spin interactions in an organic-pillared spin cage. 1958 35

A new sarcophagine cage amine ligand with a pendent carboxylate functional group has been synthesised; the ligand has been conjugated to tumour targeting peptides ([Tyr3]-octreotate and [Lys3]-bombesin) and the conjugates radiolabelled with copper-64.
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PMID:A new bifunctional chelator for copper radiopharmaceuticals: a cage amine ligand with a carboxylate functional group for conjugation to peptides. 1958 25


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