The HID EVOlution—qPCR/STR Setup System enables automation of DNA quantitative real-time polymerase chain reaction (PCR) setup, normalization of DNA sample, and PCR setup for short tandem repeat (STR) analysis. The HID EVOlution System tracks sample and reagent information and facilitates data transfer of DNA quantification, normalization, and PCR setup for STR analysis steps, eliminating the need for manual processing and repetitive data entry. Instruments for the automated system include a Tecan Freedom EVO 150 robot for liquid handling, the 7500 Real-Time PCR System for DNA quantification, the GeneAmp PCR System 9700 for STR amplification, and the 3130xl Genetic Analyzer for the detection of amplified STR fragments. Validation studies including reproducibility, accuracy, correlation, and contamination studies were performed. Results demonstrated clean liquid-handling capabilities and maintenance of sample integrity. Variation in average allele peak height obtained using automated protocol was similar to that obtained using the manual protocol.

The molecular structure and crystal-packing mode of the enantiopure chiral building blocks Delta-[Ru(bpy)(2)(py)(2)][(+)-O,O'-dibenzoyl-D-tartrate].12H(2)O (I) and Lambda-[Ru(bpy)(2)(py)(2)][(-)-O,O'-dibenzoyl-L-tartrate].12H(2)O (II) have been determined by single-crystal X-ray diffraction data. This study proposes a model of how the L- and D-dibenzoyltartrate anions recognize the chirality of the hydrophobic [Ru(bpy)(2)(py)(2)](2+) complex. The monoclinic unit cell contains four complex cations, four tartrate anions, and 48 water molecules. Since there are no possibilities to form hydrogen bonds between the cations and anions, chiral recognition is due to crystal packing. Two benzoyl rings of two different tartrate anions are gripping the two bpy-planes of the Ru-complex. Further a third benzoyl ring from a tartrate anion is packed between the two pyridine rings, favoring one enantiomeric form to crystallize from aqueous solution. Crystal structure data for I at 153 K: a = 15.342(3) A, b = 19.200(4) A, c = 18.872(4) A, beta = 104.841(3) degrees, monoclinic space group C(2), R(1)= 0.0239 (I > 2sigma(I)), R(2) = 0.0606, Flack parameter = 0.0115 (with esd 0.0166). For II at 293 K: a = 15.376(4) A, b = 19.388(11) A, c = 19.085(7) A, beta = 105.11(2) degrees, monoclinic space group C121, R(1)= 0.0686 (I > 2sigma(I)), R(2) = 0.1819, Flack parameter = -0.0100 (with esd 0.0521).

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The synthesis of chiral square-planar PtII complexes using symmetrical and unsymmetrical bis(pinene)-fused 2,2′-bipyridine is described. The neutral diimine dichloro complexes show a strong deviation of the coordination sphere from planarity if the pinene groups are attached at the 5- and 6-positions of the pyridine rings. However, this distortion does not occur in parallel with the chiral configuration at the diimine ligands. The substitution of the two cis-chloro ligands with diamines to form five-membered chelate rings shows little diastereoselectivity when racemic mixtures of chiral diamines are used. Also, ligands that are prochiral at the ligating centers show little selectivity upon coordination.

Treatment of Ti(NtBu)Cl-2(py)(2) (1, py = pyridine) with bulky heteroallylic ligands in a 1:1 molar ratio affords the monosubstituted derivatives [PhC(NSiMe3)(2)]Ti(NtBu)Cl(py)(2) (2), [Me-OC6H4C(NSiMe3)(2)]Ti(NtBu)Cl(py) (3), and [Ph2P(NSiMe3)(2)]-Ti(NtBu)Cl(py) (4). Similarly, 2:1 reactions afforded the disubstitution products [PhC(NiPr)(2)](2)Ti(NtBu) (py) (6) and [Ph2P(NSiMe3)(2)](2)Ti(NtBu) (7). The bis(pyridine) adduct Ph2P(NSiMe3)(2)Li(py)(2) (5) was isolated as a by-product during the preparation of 4. The molecular structures of 7 has been established by X-ray crystallography.

1. 4-Bromobenzophenone, Br-Cfcl^-CO-CeHs Table 1.Parameters used for the X-ray data collection BHD Crystal: colorless plate, size 0.01 χ 0.20 χ 0.80 mm Wavelength: Cu Ka radiation (1.54178 Â) μ: 48.43 cm"' Diffractometer: Enraf-Nonius CAD4 Scan mode: ω Τmeasunmeta'' 293 Κ 26max: 140° ^(hkDununu•-.1815 Criterion for Λ>: Io >2 σ(/ο) N(param)rifmaT• 146 Programs: SHELXS-86, SHELXL-93 Source of material: The compounds were crystallized from isopropanol.The structures of two substituted benzophenones were determined.It is known that these compounds undergo reduction without the help of a solvent when mixed with sodium borohydride (NaBH4) (see refs. 1 and 2).The structures of these compounds were measured in order to study their solid-state reactivity.C13H9B1O, monoclinic, P\2\lc\ (No. 14), a =12.138(1)Â, ¿»=14.766(2)Â, c =6.174(1) Â, β =97.63(1)°,V=1096.8À 3 , Z=4, R(F) =0.060, Rv/F 2 ) =0.145.

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Article Crystal structure of 6,8-methanoisoquinoline-5,6,7,8-tetrahydro-7,7-dimethyl-3-(2-pyridinyl)-(6R), C17H18N2 was published on April 1, 1997 in the journal Zeitschrift für Kristallographie - Crystalline Materials (volume 212, issue 4).

The new unsaturated macrocyclic tetrathioethers (Z,Z)-4 (n = 0), (Z,Z)-5 (n = 1), (Z,Z)-6 (n = 2) and (Z,Z)-7 (n = 3) were synthesized by the cyclization of (Z)-disodium-1,2-dicyanoethene-1,2-dithiolate (Z)-3 with omega,omega'-dibromoalkanes BrCH2CH2(CH2)(n)CH2Br (n = 0;1;2;3) on refluxing in dioxane in yields up to 15%. By reaction of the dithiolate (Z)-3 with 1,3-dibromopropane the unsaturated hexathioether (Z,Z,Z)-6 was also obtained. By the cyclization of dithiolate (Z)-3 with 1,5-dibromopentane and 1,6 dibromohexane the (Z,E)- and (E,E)-isomers, respectively, were formed in addition to the (Z,Z)-isomers. The (E,E)- and (Z,E)-isomers are photochemically convertable to the corresponding themodynamically more stable (Z,Z)-isomers by irradiation with UV-light. The (E,E)-isomers can be synthesized in straightforward manner using the (E)-disodium-1,2-dicyanoethene-1,2-dithiolate (E)-3. Crystal structures of (Z,Z)-5, (Z,Z)-6, (E,E)-6, (Z,E)-7 and (E,E)-7 are reported.

Two new compounds, La2W3O12 and LaFeW3O12, were prepared from La2O3 and WO3 or from Fe2O3, La2O3, and WO3. La2W3O12 has a structure which can be considered as a distorted superstructure of the scheelite structure CaWO4 in which 1/3 of the Ca sites are vacant. It is monoclinic, with space group C2/c and a = 7.873(2) Å, b = 11.841(2) Å, c = 11.654(2) Å, and β = 109.25(3)°. LaFeW3O12 is triclinic with a = 7.569(3) Å, b = 7.537(2) Å, c = 32.41(2) Å, α = 90.13(4)°, β = 94.75(3)°;, and γ = 98.90(3)°, and the structure consists of two distinct layers, one of which is a La tungstate which consists of a sheet of La in eight coordination and a sheet of WO4 tetrahedra and another which consists of a sheet of edge-sharing FeO6 octahedra sandwiched between two sheets of edge-connected WO6 octahedra. The reactivity of these compounds with H2 was investigated by TGA. La2W3O12 is reduced at 1100°C to yield a mixture of La2O3 and W metal. The products of the reduction of LaFeW3O12 were found to depend on the composition of the atmosphere. In N2 with 5% H2 the compound yields a complex mixture of Lax(WO3)y compounds with W and a W-Fe alloy, while in 100% H2, La2O3, W, and the alloys Fe6W7 or Fe2W are formed.

Treatment of d-allose and l-gulose with potassium cyanate in aqueous solutions, buffered with sodium dihydrogen phosphate, gave cyclic carbamates (N,O-carbonyl derivatives) of the derived glycosylamines. d-Allose gave the furanoid 1,2-cis-carbamate as a single product, but l-gulose yielded a complex mixture of the furanoid 1,2-cis-carbamate, the pyranoid 1,2- and 1,3-cis-carbamates, and the furanoid 1,2-cis-carbamate of β-l-ido configuration as a product of epimerization at C-2. The structures were derived from the NMR spectra of the free compounds and those of their acetates. The structure of the main product in the reaction of l-gulose, that of the pyranoid 1,2-cis-carbamate, was proved independently by X-ray structure determination of the tetra-acetate. The pyranoid ring was found to exist in the OT2(l) conformation.

From an ethanol/acetone solution of 1,3,5-triphenyl-5-(4-phenyl-2-piperidinothiazol-5-yl)penta-2, 4-dien-1-one 3 (Ar = Ar' = Ar" = Ph, NR(2) = piperidino) yellow-orange and red crystals are obtained simultaneously. X-ray structure determinations show that the N-invertomers of the dienone, easily convertible in solution, are fixed in the solid state by different crystal structures.

Amine adducts of diorganomagnesium compounds MgR(2)(L) are soluble in hydrocarbons and therefore valuable synthons for reactions in non-polar solvents. In this way unsymmetrically substituted derivatives MgRR'(L) become available by substituting one organic group by a different carbanion via acid-base reactions, according to eq. (1): R(2)Mg(L) + HR' -->, RR'Mg(L) + HR with HR' being stronger CH-acids than HR.Using the amin adducts R(2)Mg(L)(R = Me, Et) with chelating amines (L = tetramethylethylenediamine, TMEDA, pentamethylethylenetriamine, PMDTA) and the strong CH-acids cyclopentadiene, indene, fluorene and alkynes the following compounds have been synthesized and their structures derived by X-ray analyses: MgMe(eta(3)-cyclopentadienyl)(tmeda) (1), MgMe(eta(3)-indenyl)(tmeda) (2), MgMe(eta(1)-fluorenyl)(tmeda) (3), [Mg(2)Me(2)(pmdta)(2)](2+) [fluorenyl](2)- benzene (4) and [Mg(2)Et(phenylethynyl)(3)(tmeda)](2). benzene (5). It is remarkable, that cyclopentadienyl, indenyl, and fluorenyl ligands have a lower hapticity than mu(5) to the metal, due to steric repulsion by the other ligands. In 4 the bulky tridentate base PMDTA prevents any direct interaction between the fluorenide anion and magnesium, giving solvens separated ion pairs with the unusual and hitherto rare example of an organomagnesium cation [Mg(2)Me(2)(pmdt)(2)](2+). The 1:3 compound 5 has a more complicated structure, related to that of alkali metal alkynyl magnesates.

In the galactonic acid part of the title compound, C27H32O14, two C-O bonds are aligned 1,3-parallel with an O...O distance of 2.884(2) Angstrom. The absolute structure, determined crystallographically, corresponds to the known chirality of the title compound.

The title compound, 2,7-anhydro-4,5-O-isopropylidene-β-D-altro-2-heptulopyranose, C 10 H 16 O 6 , has a pyranoid conformation which is a distorted E 0 conformation with Q=0.609 (1) A, θ=147.4 (1) o and Φ=188.1 (3) o [Cremer & Pople (1975). J. Am. Chem. Soc. 97, 1354- 1358]. The structure is stabilized by hydrogen bonds. The absolute structure, determined through the Flack parameter, x=-0.08 (14) [Flack (1983). Acta Cryst. A39, 876-881], corresponds to the known chirality of the title compound (Friedel opposites collected and not merged)

Reaction of α-d-glucopyranosyl azide with triphenylphosphine and carbon dioxide gave 1-N,2-O-carbonyl-α-d-glycopyranosylamine (7) and its α-d-furanose analogue (1), and 1-N,3-O-carbonyl-α-d-allofuranosylamine (15) and its α-d-pyranose analogue (17). Similarly, α-d-xylopyranosyl azide gave 1-N,2-O-carbonyl-α-d-xylopyranosylamine (9) and its α-d-furanose analogue (3), and 1-N,3-O-carbonyl-α-d-ribopyranosylamine (19) and its β-d-xylopyranose analogue (21). The structures of the products and their acetylated derivatives were established by 1H and 13C NMR spectroscopy. 1-N,3-O-Carbonyl-β-d-xylopyranosylamine (21) was obtained from β-d-xylopyranosyl azide when spontaneous rearrangement of the 1,2-(cyclic carbamate) 5 into 21 occurred in water.

Crystallization of C 30 H 34 O 11 N 2 in space group P2 1 with lattice parameters a=845.4, b=43.83.3, c=989.5A, β=114.82°, the final R value is 0.062.