Gene/Protein Disease Symptom Drug Enzyme Compound
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Query: UNIPROT:Q86TM3 (cage)
 29,987 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

Three novel organic-molybdenum phosphates with [(PO4)2Mo5O15], namely (NH3CH2CH2NH3)2.5[(PO4)(HPO4) Mo5O15].7.5H2O (I), (H3NCH2CH2NH3)3.[(PO4)2Mo5O15].3H2O (II) and (H3NCH2CH2NH3)2.[Cu(en)] [(PO4)2Mo5O15].5H2O (III), were synthesized. The relationship between their properties and structures were studied by using FTIR, NIR-Raman, UV-Vis DRS and fluorescence spectra. Among these compounds, compound I and II possess isolating [(PO4)2Mo5O15] cage, while compound III is rather novel whose [(PO4)2Mo5O15] cages are bridging into chains by [Cuen] groups. The characteristic vibrational frequencies of molybdenum phosphates are related to the structures of these compounds. In the UV-Vis DRS spectra, there are two characteristic peaks of heteropoly compounds at 200 and 260 nm. The fluorescence spectra of these three compounds have been studied, which have emission peaks at about 400 nm excited by 240 nm, which are caused by O mu-Mo, while compound III produces 604 nm emission excited by 570 nm, which is caused by the LMCT of [Cuen] group.
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PMID:[Spectral study of the compounds with [(PO4)2Mo5O15]]. 1295 15

A new metallofullerene, La2@C78, has been synthesized by DC arc discharge method, isolated by high-performance liquid chromatography, and characterized by laser desorption time-of-flight mass spectrometry, UV-vis-NIR absorption, differential pulse voltammetry, 13C NMR spectroscopy, and theoretical calculations. The La2@C78/CS2 solution is dark violet and presents several characteristic absorption features at 647, 561, 533, and 386 nm, with an onset around 1000 nm. With respect to empty D3-C78, the capability of La2@C78 as an electron acceptor or donor is stronger. Addition of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)-1,2-disirane to La2@C78 photochemically, as well as thermally, affords bis- and mono-adducts. Theoretical studies and 13C NMR spectroscopic analysis of La2@C78 indicate that it possesses a D3h-C78 cage (78:5).
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PMID:Isolation, characterization, and theoretical study of La2@C78. 1528 89

A new family of endohedral fullerenes, based on an encaged trithulium nitride (Tm(3)N) cluster, was synthesised, isolated and characterised by HPLC, mass spectrometry, and visible-NIR and FTIR spectroscopy. Tm(3)N clusterfullerenes with cages as small as C(76) and as large as C(88) were prepared and six of them were isolated. Tm(3)N@C(78) is a small clusterfullerene. The two isomers of Tm(3)N@C(80) (I and II) were the most abundant structures in the fullerene soot. Tm(3)N@C(82), Tm(3)N@C(84), and Tm(3)N@C(86) represent a new series of higher clusterfullerenes. All six isolated Tm(3)N clusterfullerenes were classified as large energy-gap structures with optical energy gaps between approximately 1.2 and approximately 1.75 eV. Tm(3)N@C(80) (I) and Tm(3)N@C(80) (II) were assigned to the C(80) cages C(80):7 (I(h)) and C(80):6 (D(5h)). For Tm(3)N@C(78), the analysis pointed to an elliptical carbon cage with C(78):1 (D(3)) or C(78):4 (D(3h)) being the probable structures.
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PMID:Expanding the world of endohedral fullerenes--the Tm3N@C2n (39< or =n< or =43) clusterfullerene family. 1558 Jun 48

Three compounds of tungstosilicic acid and tungstosilicic salt: K3H[SiW(VI)12O40].3H2O(I), (H3O)4[H3SiW(VI)9W(V)3O40].2H2O(II) and [(CH3)4N]4[SiW(VI)12O40].4.5H2O(III), with Keggin structure, have been synthesized. The relationship between their properties and structures was studied by using FTIR, NIR FT-Raman, UV-Vis and flurescence etc. They possess isolated [SiW12O40] cage anion, which combines with cation and water by static electric action and weak hydrogen bond; The study of their FTIR and Raman spectra shows that the vibrational frequencies of the group are related to the structure of the materials. For the compound II, the vibrational frequency of vas(W=Od) decreases as part of W6+ are reduced to W5+, and the charges of anion group affect vas(W-Oc-W), vas(Si-Oa) and delta(Oa-Si-Oa) etc. apparently. In UV-Vis spectra of compound I and II, there are two characteristic peaks at 200 and 260 nm, respectively. The fluorescence spectra of compound I were studied, and showed that the emission peak is at 350, 440, 520 and 675 nm excited by 220, 350 and 440 nm.
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PMID:[Spectral study of three compounds of tungstosilicic salt with Keggin structure]. 1575 69

The ytterbium complex [Yb((S)-THP)](3+) ((S)-THP = (1S,4S,7S,10S-tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane) is investigated in solution through NMR, near-IR absorption, and CD spectroscopy. Quantitative analysis of the paramagnetic pseudocontact NMR shift shows Lambda helicity of the ligand cage around the metal. The NIR CD spectrum recorded at acidic pH is found to be very similar to that of [Yb((R)-DOTMA)](-) ((R)-DOTMA = (1R,4R,7R,10R)-alpha,alpha',alpha'',alpha'''-tetramethyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid), which in solution assumes a twisted square antiprism (TSA) conformation. The similarity of the NIR CD spectra is discussed, and it is the first proof of the Lambda(lambda,lambda,lambda,lambda) conformation of [Yb((S)-THP)](3+). NIR CD spectra recorded in the pH range of 2-9 allow one to easily follow proton dissociation and to calculate the pK of this equilibrium in water (pK(A) = 6.4 +/- 0.1). This value agrees well with that determined for [Lu((S)-THP)](3+) using potentiometric methods. This demonstrates once again that NIR CD spectroscopy is a powerful technique for investigating the solution structure and dynamics of these complexes.
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PMID:Monitoring proton dissociation and solution conformation of chiral ytterbium complexes with near-IR CD. 1582 32

The production, isolation, and spectroscopic characterization of a new Dy3N@C80 cluster fullerene that exhibits three isomers (1-3) is reported for the first time. In addition, the third isomer (3) forms a completely new C80 cage structure that has not been reported in any endohedral fullerenes so far. The isomeric structures of the Dy3N@C80 cluster fullerene were analyzed by studying HPLC retention behavior, laser desorption time-of-flight (LD-TOF) mass spectrometry, and UV-Vis-NIR and FTIR spectroscopy. The three isomers of Dy3N@C80 were all large band-gap (1.51, 1.33, and 1.31 eV for 1-3, respectively) materials, and could be classified as very stable fullerenes. According to results of FTIR spectroscopy, the Dy3N@C80 (I) (1) was assigned to the fullerene cage C80:7 (I(h)), whereas Dy3N@C80 (II) (2) had the cage structure of C80:6 (D(5h)). The most probable cage structure of Dy3N@C80 (III) (3) was proposed to be C80:1 (D(5d)). The significant differences between Dy3N@C80 and other reported M3N@C80 (M = Sc, Y, Gd, Tb, Ho, Er, Tm) cluster fullerenes are discussed in detail, and the strong influence of the metal on the nitride cluster fullerene formation is concluded.
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PMID:Expanding the number of stable isomeric structures of the C80 cage: a new fullerene Dy3N@C80. 1622 62

The synthesis and characterisation of the new endohedral cluster fullerene Sc(3)CH@C(80) is reported. The encapsulation of the first hydrocarbon cluster inside a fullerene was achieved by the arc burning method in a reactive CH(4) atmosphere. The extensive characterisation by mass spectrometry (MS), high- pressure liquid chromatography (HPLC), (45)Sc NMR, electron spin resonance (ESR), UV/Vis-NIR and Raman spectroscopy provided the experimental evidence for the caging of the five-atom Sc(3)CH cluster inside the C(80) cage isomer with icosahedral symmetry. The proposed new structure was confirmed by DFT calculations, which gave a closed shell and large energy gap structure. Thus a pyramidal Sc(3)CH cluster and the I(h)-C(80) cage were shown to be the most stable configuration for Sc(3)CH@C(80) whereas alternative structures give a smaller bonding energy as well as a smaller energy gap.
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PMID:Entrapped bonded hydrogen in a fullerene: the five-atom cluster Sc3CH in C80. 1727 90

High-performance liquid chromatography was used to isolate two new trimetallic nitride endohedral fullerenes, Gd3N@C2n (n = 42 and 44), and they were characterized by MALDI-TOF mass spectrometry, UV-vis-NIR, and cyclic voltammetry. It was found that their electronic HOMO-LUMO gaps depend pronouncedly on the size of the cage, from a large band gap for Gd3N@C80 (2.02 V) to a small band gap for Gd3N@C88 (1.49 V). The electrochemical properties also change dramatically with the size of the cage, going from irreversible for the C80 cage to reversible for Gd3N@C88. The latter is the largest trimetallic cluster inside C88 isolated and characterized to date. Gd3N@C88 has one of the lowest electrochemical energy gaps for a nonderivatized metallofullerene.
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PMID:Gd3N@C2n (n = 40, 42, and 44): remarkably low HOMO-LUMO gap and unusual electrochemical reversibility of Gd3N@C88 . 1798 31

Thermal and photochemical reactions of La2@C78 with 2-admantane-2,3-[3H]-diazirine are investigated. Four isomers of the monoadduct (La2@C78Ad) synthesized by the photoreaction are isolated by HPLC and characterized by mass, UV-vis-NIR absorption, cyclic voltammogram and differential pulse voltammogram spectroscopy, proton and 13C NMR spectroscopic analysis, single-crystal X-ray diffraction analysis, and theoretical approaches. The addition reactions occur at both the [5,6] and [6,6] positions. X-ray and theoretical studies indicate that one of the monoadduct isomers has an open structure with two La atoms on the C3 axis of the D3h cage of La2@C78.
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PMID:Addition of adamantylidene to La2@C78: isolation and single-crystal X-ray structural determination of the monoadducts. 1816 25

The isomers of gadolinium scandium mixed-metal nitride clusterfullerenes GdxSc3-xN@C(80) [x=2 (1, 4); x=1 (2, 5)] have been synthesized by the "reactive gas atmosphere" method and isolated facilely by recycling HPLC. The yield of GdxSc3-xN@C80 (I, II) (x=1, 2) relative to the homogenous clusterfullerenes Sc3N@C80 [I (3), II (6)] was determined. According to the UV/Vis/NIR spectroscopic data, 1, 2, 4, and 5 are all stable fullerenes with large optical gaps. Fullerene 1 has greater similarity to Gd3N@C80 (I) and 2 seems to resemble Sc3N@C80 (I). The quite similar overall absorption features of 4 and 5 suggest pronounced similarity in electronic structure. Vibrational spectroscopic studies led to the assignment of the cage symmetries of GdxSc3-xN@C80 (I, II), that is, Ih for 1, 2 and D5h for 4, 5. The cluster-cage interactions in GdxSc3-xN@C80 (I, II) were analyzed by means of the low-energy Raman lines. The splitting of the metal-nitrogen stretching vibrational mode in GdxSc3-xN@C80 (I, II) was studied in detail. Scalar-relativistic DFT calculations were performed to reveal the geometry parameters and the magnetic state of the GdxSc3-xN@C80 (I, II) molecules.
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PMID:The isomers of gadolinium scandium nitride clusterfullerenes GdxSc3-xN@C(80) (x=1, 2) and their influence on cluster structure. 1818 92


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