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)

Tetra-n-butylammonium bromide forms the title semi-clathrate hydrate crystal, C16H36N+.Br-.38H2O, under atmospheric pressure. The cation and anion lie at sites with mm symmetry and seven water molecules lie at sites with m symmetry in space group Pmma. Br- anions construct a cage structure with the water molecules. Tetra-n-butylammonium cations are disordered and are located at the centre of four cages, viz. two tetrakaidecahedra and two pentakaidecahedra in ideal cage structures, while all the dodecahedral cages are empty.
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PMID:Tetra-n-butylammonium bromide-water (1/38). 1569 12

Two experiments were conducted to determine the effects of 2 ionic and antimicrobial mixtures on broiler performance and nutrient retention. In experiment 1, male broilers were fed 6 diets in a 2 x 3 factorial experiment (5 cages/diet, 9 chicks/cage) from 0 to 21d of age. Diets with 2 nutrient densities [normal industry diet (ND) and a low nutrient density diet (82% of ND)] and 3 ionic and antimicrobial mixtures [none (control) or 1 of 2 formulations containing different mixtures of ionic salts and oxyhalogenic compounds (sodium salts of chlorite, chlorate, chloride, borate, sulfate, bromide, salicylate, and hydrogen peroxide) at 4.4 mL/kg of feed (mix A and B)]. Birds fed mix B (568.6 g) were heavier (P < 0.05) at 21d of age than birds fed the control diet (501.7 g) and BW of birds fed mix A (536.1 g) did not differ from mix B or controls. Phosphorus and nitrogen retention from 18 to 20 d in birds fed mix B (78.05% and 82.23%, respectively) was greater (P < 0.05) than birds fed mix A (60.21 and 71.22%, respectively) and birds fed mix A had greater (P < 0.05) retention than birds fed the control diet (45.94 and 69.06%, respectively). In experiment 2, chicks were fed either 4.4 mL of mix B/kg feed, a diet with salinomycin and bacitracin, or a control diet. Birds fed the control or mix B diet had greater (P < 0.05) BW at 18 d than birds on the antibiotic treatment, whereas diet or nutrient retention differences were not present at 42 d of age. In conclusion, the ionic and antimicrobial mixtures improved performance and nutrient retention in young broilers but these did not last until market age.
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PMID:Performance and nutrient retention responses of broilers to dietary oxyhalogenic and ionic salts. 1574 60

The ionic hexanuclear cluster aggregate [FeII6(mu3-OH)6]6+ has been synthesised using hydrothermal conditions starting from ferrous oxalate in the presence of barium and bromide or iodide ions. A single crystal X-ray structure on the compound Ba4[FeII6(mu3-OH)6(C2O4)6]Br2.6H2O shows that the [FeII6(mu3-OH)6]6+ units are held together by bridging oxalates in a pseudo-cubic close-packed array. The barium ions in conjunction with oxalate groups provide a barrel-shaped cage between the FeII6 aggregates containing the bromide counterions and lattice waters and corresponding to an 'octahedral hole' in the pseudo-cubic close-packed structure. A magnetic susceptibility study shows that the FeII centres are antiferromagnetically coupled. Below 10 K the system displays a long range antiferromagnetic ordering mediated by the oxalate bridges and a molecular-based description of the magnetism is no longer valid.
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PMID:Crystal structure and magnetic properties of a pseudo-cubic close-packed array of oxalate linked {FeII6(mu3-OH)6}6+ clusters. 1582 75

The photochemistry of three structurally very similar triphenylmethylsilanes 1, 2, 3 [p-X-C(6)H(4)-CPh(2)-SiMe(3): X = PhCO, 1; H, ; Ph(OCH(2)CH(2)O)C, 3] is described by means of 248 and 308 nm nanosecond laser flash photolysis (ns-LFP), femtosecond LFP, EPR spectroscopy, emission spectroscopy (fluorescence, phosphorescence), ns-pulse radiolysis (ns-PR), photoproduct analysis studies in MeCN, and X-ray crystallographic analysis of the two key-compounds 1 and 2. The photochemical behavior of 1, 2 and 3 is discussed and compared with that of a fourth one, 4, bearing on the p-position an amino group (X = Me(2)N) and whose detailed photochemistry we reported earlier (J. Org. Chem., 2000, 65, 4274-4280). Silane 1 undergoes on irradiation with 248 and 308 nm laser light a fast photodissociation of the C-Si bond giving the p-(benzoyl)triphenylmethyl radical (1*) with a rate constant of k(diss)= 3 x 10(7) s(-1). The formation of 1* is a one-quantum process and takes place via the carbonyl triplet excited state with high quantum yield (Phi(rad)= 0.9); the intervention of the triplet state is clearly demonstrated through the phosphorescence spectrum and quenching experiments with ferrocene (k(q)= 9.3 x 10(9) M(-1) s(-1)), Et(3)N (1.1 x 10(9) M(-1) s(-1)), and styrene (3.1 x 10(9) M(-1) s(-1)) giving quenching rate constants very similar to those of benzophenone. For comparative reasons radical 1* was generated independently from p-(benzoyl)triphenylmethyl bromide via pulse radiolysis in THF and its absorption coefficient at lambda(max)= 340 nm was determined ([epsilon]= 27770 M(-1) cm(-1)). We found thus that the p-PhCO-derivative 1 behaves similar to the p-Me(2)N one (the latter giving the p-(dimethylamino)triphenylmethyl radical with Phi(rad)= 0.9), irrespective of their completely different ground state electronic properties. In contrast, compounds 2, 3 that bear only the aromatic chromophore give by laser or lamp irradiation both, (i) radical products [Ph(3)C* and p-Ph(OCH(2)CH(2)O)C-C(6)H(4)-C(*)Ph(2), respectively] after dissociation of the central C-Si bond (Phi(rad)= 0.16), and (ii) persistent photo-Fries rearrangement products (of the type of 5-methylidene-6-trimethylsilyl-1,3-cyclohexadiene) absorbing at 300-450 nm and arising from a 1,3-shift of the SiMe(3) group from the benzylic to the ortho-position of the aromatic ring (Phi approximately 0.85 for 2). Using fs-LFP on 2 we showed that the S(1) state recorded at 100 fs after the pulse decays on a time scale of 500 fs giving Ph(3)C* through C-Si bond dissociation. In a second step and within the next 10 ps trityl radicals either escape from the solvent cage (the quantum yield of Ph(3)C* formation Phi(rad)= 0.16 was measured with ns-LFP), or undergo in-cage recombination to photo-Fries products. Thus, singlet excited states (S(1)) of the aromatic organosilanes (2, 3) prefer photo-Fries rearrangement products, while triplet excited states (1, 4) favor free radicals. Both reactions proceed via a common primary photodissociation step (C-Si bond homolysis) and differentiate obviously in the multiplicity of the resulting geminate radical pairs; singlet radical pairs give preferably photo-Fries products following an in-cage recombination, while triplet radical pairs escape the solvent cage (MeCN). The results demonstrate the crucial role which is played by the chromophore which prescribes in a sense, (i) the multiplicity of the intervening excited state and consequently that of the resulting geminate radical pair, and (ii) the dominant reaction path to be followed: the benzophenone- and anilino-chromophore present in silanes 1 and 4, respectively, impose effective intersystem crossing transitions (k(isc)= 10(11) s(-1) and 6 x 10(8) s(-1), respectively) leading to triplet states and finally to free radical products, while the phenyl chromophore in 2 and 3, possessing ineffective isc (k(isc)= 6 x 10(6) s(-1)) leads to photo-Fries product formation via the energetic high lying S(1) state [approximately 443 kJ mol(-1)(106 kcal mol(-1))].
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PMID:Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. 1592 Jun 31

The reactions of cobalt(II) halides and flexible ligand L [L=1,3-bis(pyrid-4-ylthio)propan-2-one] under different conditions generated a series of complexes with various structural motifs ranging from tetragonal-prismatic cages to 1-3D coordination polymers. The layer diffusion of cobalt(II) chloride and L in methanol/acetone at 25 degrees C gave rise to a 3D polymer, [Co(L)2Cl2].Me2CO. At 30 degrees C, the slow diffusion of diethyl ether into the blue dimethylformamide (DMF) solution of complex 1 afforded a 1D polymer, Co(L)Cl2(DMF)2. However, at 10 degrees C, the diffusion of diethyl ether into the DMF solution of complex 1 produced a tetragonal-prismatic cage, [Co2(L)4Cl2]Cl2.Et2O.DMF.2MeOH.4H2O. The reaction of cobalt(II) bromide and L in DMF at 10 degrees C yielded a dimer, [Co2(L)4Br2]Br2.6DMF.2H2O, with a cage structure similar to. The preparation of the series of compounds indicates the subtle relationship between structures and tunable reaction conditions. It is also found that the structural motifs vary according to the ligand conformations and that the formation of tetragonal-prismatic cages and may be templated by anionic guests. Magnetic studies on complexes in a temperature range 4-300 K disclose that L is unfavorable for a long-range magnetic interaction; however, intramolecular spin-coupling constants of -19.6 and -21.5 cm-1 for and indicate rather strong magnetic superexchanges arising from the overlap of the dz2 orbitals of the cobalt(II) and pz orbitals of the encapsulated halide anions. Electron paramagnetic resonance (EPR) spectra of complexes 3 and 4 in solution and solid give information that both complexes are high-spin cobalt(II) compounds with a rhombic distortion of the axial zero-field splitting. Interestingly, the intramolecular magnetic-exchange coupling in 3 and 4 mediated by the encapsulated anion Cl- or Br- is also reflected by the EPR spectra.
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PMID:Dynamic formation of coordination polymers versus tetragonal prisms and unexpected magnetic superexchange coupling mediated by encapsulated anions in the cobalt(II) 1,3-bis(pyrid-4-ylthio)propan-2-one series. 1632 97

Forty-three norditerpenoid alkaloids isolated from Aconitum, Delphinium and Consolida species have been evaluated for their cytotoxic effects on the tumor cell lines CT26 (murine colon adenocarcinoma), SW480 (human colon adenocarcinoma), HeLa (human cervical adenocarcinoma), SkMel25 (human melanoma) and SkMel28 (human malignant melanoma) with several multidrug resistance mechanisms and the non-tumor cell line CHO (Chinese hamster ovary cells). Neoline (5), 8-O-methylcolumbianine (6), 1,14-diacetylcardiopetaline (9), 18-O-demethylpubescenine (13), 14-deacetylpubescenine (14), pubescenine (15), 14-deacetylajadine (25), lycoctonine (26), browniine (28), delphatine (29), dehydrotakaosamine (34), and ajadelphinine (37) exhibited selective cytotoxicity to cancerous versus non-cancerous cells. Some of these compounds had an irreversible effect on SW480 (5, 15, 25, 26, and 34), HeLa (15, 34, and 37) and SkMel25 (15 and 34) cell lines. In order to gain insights into the mechanism of irreversible cytotoxic action of these compounds we compared the cell viability by means of the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium bromide (MTT) and the acid phosphatase (AP) methods. Our results suggest that the effects of these compounds could be related to the inhibition of ATP production.
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PMID:In vitro cytotoxicity of norditerpenoid alkaloids. 1661 Feb 10

The present study describes the improvement of a technique, the alkaline-halo assay (AHA), for the assessment of DNA single-strand breakage at the single-cell level. AHA involves a series of sequential steps in which cells are embedded in melted agarose and spread onto microscope slides, incubated in a high-salt alkaline lysis solution, then in a hypotonic alkaline solution and, finally, stained with ethidium bromide (EB). Under these conditions, single-stranded DNA fragments diffuse radially from the nuclear cage and generate a fluorescent image that resembles a halo concentric to the nuclear remnants: the area of the halo is a direct function of the extent of DNA strand scission. These phenomena can be conveniently monitored with a fluorescence microscope and quantified by image-processing analysis. The behaviour of single-stranded DNA fragments under the conditions of the modified assay, called fast halo assay (FHA), is essentially the same as in AHA. The modifications consist in the simplification of the lysis, denaturation and staining procedures, and allow, as compared with AHA, the preparation of samples within 15 min, with a two-third reduction in total processing time, using only two reagents to promote DNA extraction and staining: NaOH and EB. A variation of the FHA operating at non-denaturing conditions to discriminate apoptotic cells from non-apoptotic cells bearing DNA single-strand breaks is also illustrated. To benchmark FHA sensitivity and reliability, the DNA single-strand breaks (SSBs) resulting either from exposure of cultured mammalian cells to different DNA-damaging agents or from secondary apoptotic DNA cleavage, have been quantified and results compared with the outcomes of reference techniques run in parallel, namely AHA, comet assay and Hoechst 33342 staining. The results indicate that FHA has the same reliability and sensitivity of the reference assays, but presents the additional advantages of being inexpensive, more rapid and strikingly simple.
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PMID:The fast halo assay: an improved method to quantify genomic DNA strand breakage at the single-cell level. 1676 22

Iron substituted cubic cage type mesoporous molecular sieves (FeSBA-1) were synthesized for the first time in a highly acidic media using cetyltriethylammonium bromide as a template. The amount of Fe incorporation in SBA-1 can easily be controlled by the simple adjustment of the molar hydrochloric acid-to-silicon ratio. All the materials were unambiguously characterized by AAS, XRD, N2 adsorption, UV-Vis DRS, XPS, and ESR spectroscopy. The results from AAS, XRD, and N2 adsorption reveal that the iron atom can be incorporated in the framework of SBA-1 matrix without altering the structural order and the textural parameters. The nature and the coordination of iron atoms were extensively studied by XPS spectroscopy, and the results revealed that most of the iron atoms in FeSBA-1 are in +3 coordination state. UV-Vis DRS and ESR studies confirmed that the majority of the Fe atoms in FeSBA-1 exist in a tetrahedral coordination environment (most probably occupying framework positions). tert-Butylation of phenol employing tert-butanol as the alkylation agent was carried out over FeSBA-1 catalysts with different iron content and the results are compared with one-dimensional mesoporous catalysts. The influence of various reaction parameters such as reaction temperature, reactant feed ratio, weight hourly space velocity, and time-on-stream affecting the activity and selectivity of FeSBA-1 were also studied. Under the optimized reaction conditions, the FeSBA-1(36) catalyst showed superior catalytic performance for the tert-butylation of phenol as compared to the uni-dimensional mesoporous catalysts.
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PMID:Characterization and catalytic performances of three-dimensional mesoporous FeSBA-1 catalysts. 1680 Apr 96

A Car-Parrinello molecular dynamics simulation has been performed on a solution of Br- in liquid methanol analyzing with particular attention charge transfer and polarization effects. The first solvation shell has been characterized in terms of H-bonds, and it has been found that the high polarization of the bromide gives rise to a stable solvent cage. The differences in the coordination number with the chloride can be ascribed to the ionic radius and to the stronger perturbations brought by the solvent to the bromide ion.
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PMID:Structure and dynamics of Br- ion in liquid methanol. 1686 5

We report the first UV-vis spectroscopic study of bromine molecules confined in clathrate hydrate cages. Bromine in its natural hydrate occupies 51262 and 51263 lattice cavities. Bromine also can be encapsulated into the larger 51264 cages of a type II hydrate formed mainly from tetrahydrofuran or dichloromethane and water. The visible spectra of the enclathrated halogen molecule retain the spectral envelope of the gas-phase spectra while shifting to the blue. In contrast, spectra of bromine in liquid water or amorphous ice are broadened and significantly more blue-shifted. The absorption bands shift by about 360 cm-1 for bromine in large 51264 cages of type II clathrate, by about 900 cm-1 for bromine in a combination of 51262 and 51263 cages of pure bromine hydrate, and by more than 1700 cm-1 for bromine in liquid water or amorphous ice. The dramatic shift and broadening in water and ice is due to the strong interaction of the water lone-pair orbitals with the halogen sigma* orbital. In the clathrate hydrates, the oxygen lone-pair orbitals are all involved in the hydrogen-bonded water lattice and are thus unavailable to interact with the halogen guest molecule. The blue shifts observed in the clathrate hydrate cages are related to the spatial constraints on the halogen excited states by the cage walls.
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PMID:Spectroscopic signatures of halogens in clathrate hydrate cages. 1. Bromine. 1718 36


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