| 1. |
- Abu-Youssef, Morsy A.M., et al.
(författare)
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Synthesis and Structure of Silver Complexes with Nicotinate-Type Ligands Having Antibacterial Activities against Clinically Isolated Antibiotic Resistant Pathogens
- 2007
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 46:15, s. 5893-5903
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Tidskriftsartikel (refereegranskat)abstract
- The synthesis and low-temperature X-ray crystal structures of five new silver complexes, [Ag2-μ-O,O'(2-aminonicotinium)2(NO3)2]n (7), [Ag(isonicotinamide)2-μ-O,O'(NO3)]2 (8), [Ag(ethyl nicotinate)2](NO3) (9), [Ag(ethyl isonicotinate)2(NO3)] (10), and [Ag(methyl isonicotinate)2(H2O)](NO3) (11), are presented and fully characterized by spectral and elemental analysis. The antimicrobial activities of these complexes were screened using 12 different clinical isolates belonging to four pathogenic bacteria, S. aureus, S. pyogenes, P. mirabilis, and Ps. Aeruginosa, all obtained from diabetic foot ulcers. These tested bacteria were resistant for at least 10 antibiotics commonly used for treatment of diabetic foot ulcers. Compounds 7 and 8 had considerable activity against Ps. Aeruginosa (MIC values 2-8 µg/mL), compound 9 against S. aureus (MIC 4-16 µg/mL) and S. pyogenes (MIC 2-4 µg/mL), and also 9 and 11 against P. mirabilis (MIC 1-16 µg/mL). All complexes were non-toxic for daphnia at concentrations above 512 µg/mL overnight.
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| 2. |
- Dey, Raja, 1963, et al.
(författare)
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21-Acetoxy-17α-4-pregnene-3,20-dione
- 2005
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Ingår i: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; 61:4
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Tidskriftsartikel (refereegranskat)abstract
- The synthetic steroid 21-acetoxy-17α-4-pregnene-3,20-dione, C 23H32O4, crystallizes with a single molecule in the asymmetric unit. The molecule contains four fused rings, typical of steroids. The cyclohexene ring A has nearly the conformation of a boat. One saturated six-membered ring, B, is intermediate between chair and half-chair conformations, while the other six-membered ring, C, is essentially a chair. The five-membered ring D tends towards a twist conformation. The ring junction A/B is quasi-trans, whereas the ring junctions B/C and C/D are both trans. The molecule is slightly convex towards the β side.
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| 3. |
- Dey, Raja, 1963, et al.
(författare)
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21-Deoxycortisone (17α-hydroxy-4-pregnene-3,11,20-trione)
- 2005
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Ingår i: Acta Crystallographica Section C: Crystal Structure Communications. - 0108-2701 .- 1600-5759. ; C61:4, s. o201-o203
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Tidskriftsartikel (refereegranskat)abstract
- The title compound, C21H28O4, a synthetic glucocorticoid, crystallizes with a single molecule in the asymmetric unit. Ring A is almost in a half-chair conformation, rings B and C are almost in chair conformations, and ring D is between a twist and a 13β-envelope conformation. The A/B ring junction is quasi-trans, whereas the B/C and C/D ring junctions both approach trans characteristics. The molecule as a whole is slightly convex towards the β side, with an angle of 9.60(2)° between the C10-C19 and C13-C18 vectors. Molecular-packing and hydrogen-bonding (both intra- and intermolecular) interactions play a major role in the structural association of the compound.
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| 4. |
- Dey, Raja, 1963, et al.
(författare)
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5-Amino-1-[2-(diethylamino)ethyl]-1H-imidazole-4-carboxamide
- 2006
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Ingår i: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E62:2, s. o814-o816
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Tidskriftsartikel (refereegranskat)abstract
- Intramolecular hydrogen bonds influence the molecular conformation of the title compound, C10H19N5O, resulting in an extended planar hydrogen-bonded heterocyclic ring structure. The bulky diethylaminoethyl group adopts a butterfly conformation. The stabilization of the crystal structure is supported by an extensive network of intermolecular hydrogen bonds.
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| 5. |
- Dey, Raja, 1963, et al.
(författare)
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5-Amino-1-benzyl-4-cyano-3-methylimidazolium toluene-p-sulfonate
- 2005
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Ingår i: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E61:12, s. o4039-o4041
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Tidskriftsartikel (refereegranskat)abstract
- The title compound, C12H13N4+·C7H7O3S-, contains an imidazolium cation and a toluene-p-sulfonate anion in the asymmetric unit. Hydrogen-bonded dimers are formed between the cyano and amino groups of inversion-related imidazolium cations.
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| 6. |
- Dey, Raja, 1963, et al.
(författare)
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A titanium salicylate, Na4[Ti(C7H4O3)3]2·11H2O
- 2005
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Ingår i: Acta Crystallographica Section E: Structure Reports Online. - 1600-5368. ; E61:8, s. m1495-m1497
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Tidskriftsartikel (refereegranskat)abstract
- The title compound, tetrasodium bis[tris(salicylatotitanate(IV)] undecahydrate, Na4[Ti(C7H4O3)3]2·11H2O, crystallizes with two titanium salicylate complex ions, four sodium ions and 11 water molecules in the asymmetric unit. One water O atom is disordered over two positions, having 0.74(5) and 0.26(5) occupancy. Both Ti atoms and three sodium ions adopt a distorted octahedral coordination by O atoms. The fourth sodium ion has a distorted trigonal-bipyramidal coordination by oxygen, sharing one edge with a sodium coordination octahedron.
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| 7. |
- Krengel, Ute, 1964, et al.
(författare)
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Preliminary X-ray crystallographic analysis of the secreted chorismate mutase from Mycobacterium tuberculosis: A tricky crystallization problem solved
- 2006
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Ingår i: Acta Crystallographica Section F: Structural Biology and Crystallization Communications. - 1744-3091. ; 62:5, s. 441-445
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Tidskriftsartikel (refereegranskat)abstract
- Chorismate mutase catalyzes the conversion of chorismate to prephenate in the biosynthesis of the aromatic amino acids tyrosine and phenylalanine in bacteria, fungi and plants. Here, the crystallization of the unusual secreted chorismate mutase from Mycobacterium tuberculosis (encoded by Rv1885c), a 37.2 kDa dimeric protein belonging to the AroQγ subclass of mutases, is reported. Crystal optimization was non-trivial and is discussed in detail. To obtain crystals of sufficient quality, it was critical to initiate crystallization at higher precipitant concentration and then transfer the drops to lower precipitant concentrations within 5-15 min, in an adaptation of a previously described technique [Saridakis & Chayen (2000), Protein Sci. 9, 755-757]. As a result of the optimization, diffraction improved from 3.5 to 1.3 Å resolution. The crystals belong to space group P21, with unit-cell parameters a = 42.6, b = 72.6, c = 62.0 Å., β = 104.5°. The asymmetric unit contains one biological dimer, with 167 amino acids per protomer. A soak with a transition-state analogue is also described.
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