bluuebunny/crossref_metadata_2025 huggingface dataset:
Malonyl-4,5-dihydroniphimycin: A New Polyol Macrolide Antibiotic, Produced by Streptomyces hygroscopicus
Authors: Ivanova Veneta , Kolarova Mariana , Aleksieva Krasja
Published: February 2015

Malonyl-4,5-dihydroniphimycin was isolated as a new antibiotic from the mycelium of Streptomyces hygroscopicus 15. The chemical constitution was elucidated from the physico-chemical properties, using NMR techniques and mass spectrometry, to be a 36-membered macrolide related to non-polyenic antibiotics. Malonyl-4,5-dihydroniphimycin displays activity against filamentous fungi and Gram-positive bacteria.
A New Bioactive Steroidal Saponin from Agave brittoniana
Authors: P. da Silva Bernadete , Parente José P.
Published: February 2015

A new bisdesmosidic furostanol saponin was isolated from leaves of Agave brittoniana Trel. Its structure was established as 3-[O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β -D-glucopyranosyl-( 1→3)-O]-[O-β -D-glucopyranosyl-(1→3)-β -D-glucopyranosyl-(1→2)-O-β -D-glucopyranosyl- (1→4)-β -D-galactopyranosyl)oxy]-(3β ,5α,6α,22α,2R)-26-(β -D-glucopyranosyloxy)-6,22-dihydroxy- furost-12-one. Its structural identification was performed using detailed analyses of 1H and 13C NMR spectra including 2D NMR spectroscopic techniques (DEPT, COSY, HETCOR and COLOC) and chemical conversions. The steroidal saponin showed no haemolytic effects in the in vitro assays and demonstrated antiinflammatory activity using in vivo models.
Isoquinoline Alkaloids from Corydalis taliensis
Authors: Wu Ying-Rui , Zhao You-Xing , Liu Yu-Qing , Zhou Jun
Published: February 2015

Corydalis taliensis Franch is a perennial herb used for treatment of rheumatic arthritis, toothache, and hepatitis. The chemical investigation of this plant resulted in the isolation of a new compound, named taliensineside (1). Its structure was identified on the basis of spectral evidence. In addition, thirteen known isoquinoline alkaloids (2 - 14) were isolated and identified by spectroscopic analysis and comparison of their spectral data with those reported previously.
A Novel Phenylethanoid Dimer and Flavonoids from Jacaranda mimosaefolia
Authors: Moharram Fatma A. , Marzouk Mohamed S. A.
Published: February 2015

A novel phenylethanoid dimer, namely, jacraninoside A (1) and the five known constituents E/Z-acetoside (2), isoacetoside (3), cistanoside E (4), 6 '-acetylacetoside (5), and campneoside I (6) together with the seven flavonoids isoquercitrin (7), scutellarein 7-O-β -D-glucuronopyranoside methyl ester (8), apigenin 7-O-β -D-galacturonopyranoside (9), luteolin 7-O-β -D-glucuronopyranoside methyl ester (10), apigenin 7-O-β -D-glucuronopyranoside methyl ester (11), luteolin 7-O-β -Dglucopyranoside (12), and isovitexin (13) were isolated from the aqueous methanol extract of Jacaranda mimosaefolia D. Don. leaves. All known metabolites have been identified in this genus for the first time except for 2 and 12 which had been isolated once before from the leaves and twigs of Jacaranda mimosaefolia. Their structures were elucidated based on chemical evidences and spectroscopic analyses (1D and 2D NMR, HRMS ((-)-ESI)/MS, UV).
The Complex BiCl3 · CH3C6H5
Authors: Breunig Hans Joachim , Lork Enno , Raţ Ciprian
Published: February 2015

Single crystals of BiCl3 ·CH3C6H5 (1) formed from BiCl3 and toluene have been analysed by X-ray crystallography (triclinic, P1̄, Z = 4, a = 7.308(2), b = 12.013(3), c = 12.284(2) Å , α = 75.02(2), β = 84.23(2), γ = 88.86(2)°, T = 173(2) K).
Sr14[Al4]2[Ge]3: Eine Zintl-Phase mit isolierten [Ge]4–- und [Al4]8–-Anionen / Sr14[Al4]2[Ge]3: A Zintl Phase with Isolated [Ge]4− and [Al4]8− Anions
Authors: Wendorff Marco , Röhr Caroline
Published: February 2015

The new ternary intermetallic compound Sr14[Al4]2[Ge]3 was synthesized from stoichiometric ratios of the elements. The crystal structure (trigonal, space group R3̅, a = 1196.58(2), c = 4010.33(7) pm, Z = 6, R1 = 0.0574) was determined using single crystal X-ray data. The structure contains two crystallographically independent tetrahedral [Al4] anions with Al-Al distances in the range from 269.7 to 273.6 pm. Taking into account the Zintl concept and the isosteric analogy to white phosphorus, their formal charge is−8. Both of these tetrahedra are surrounded by 16 Sr cations. The three isolated Ge4− anions per formula unit (isosteric to the noble gases) are coordinated by nine Sr cations. According to the ionic description Sr14[Al4]2[Ge]3̅↦14Sr2+ +2[Al4]8− +3[Ge]4− the title compound is an electron-precise Zintl phase. This interpretation is supported by the results of a FP-LAPW band structure calculation, which show a distinct minimum of the total density of states at the Fermi level. Attempts to synthesize the analogous compounds in the systems Sr-Ga-Ge and Ca-Ga-Ge resulted in the formation of new members of the Ca11Ga7 structure type family. In the case of Ca-Al-Ge only the stable binary border compounds Ca2Ge and CaAl2 were formed in respective experiments.
Hydrate von Li3VO4: Synthese und Strukturchemie / Hydrates of Li3VO4: Synthesis and Structural Chemistry
Authors: Schnabel Simone , Röhr Caroline
Published: February 2015

Stoichiometric hydrates of Li3VO4, the hexahydrate and two polymorphs of the octahydrate, were prepared by evaporation of alkaline aqueous solutions 1 molar in LiOH and 0.5 molar in the metavanadate LiVO3 at r. t. with or without the addition of Lithium sulfide, i. e. at different pH values. Their crystal structures have been determined and refined using single crystal X-ray data; all lithium and hydrogen atom positions were localised and refined without contraints.

All three title compounds crystallise in non-centrosymmetric space groups. The water molecules belong to the tetrahedral coordination spheres of the Li cations, i. e. they are embedded as water of coordination exclusively. The tetrahedral orthovanadate(V) anions VO3−
4 and the LiO4 tetrahedra are connected via common O corners to form building units which are further held together by strong, nearly linear hydrogen bonds.

The hexahydrate Li3VO4 ・ 6H2O (space group R3, a = 962.9(2), c = 869.2(2) pm, Z = 3, R1 = 0.0260) contains isolated orthovanadate(V) anions VO3−
4 surrounded by a 3D network of cornersharing Li(H2O)4 tetrahedra forming rings of three, seven and eight units. The water molecules are ‘isolated’ in the sense that no hydrogen bonds are formed between water molecules.

The octahydrate is dimorphous: The triclinic polymorph of Li3VO4 ・ 8H2O (space group P1, a = 592.6(2), b = 651.3(2), c = 730.2(4) pm, α = 89.09(2), β = 89.43(2), γ = 88.968(12)°, Z = 1, R1 = 0.0325) contains two types of chains of tetrahedra: One consists of corner-sharing Li(H2O)4 tetrahedra only, the second one is formed by alternating LiO4 and VO4 tetrahedra, also sharing oxygen corners. Only one water molecule is ‘isolated’, the other seven form a branched fragment of a chain with hydrogen bonds between them.

In the monoclinic form of Li3VO4・8H2O (space group Pc, a = 732.6(1), b = 653.7(1), c = 1292.9(3) pm, β = 112.21(1)°, Z = 2, R1 = 0.0289) a fragment of a chain of three LiO4 tetrahedra, two of which share a common edge, and one VO4 tetrahedron represent the formular unit. These building blocks are connected via hydrogen bonds formed by three ‘isolated’ water molecules and a chain fragment of five connected water molecules.
A Metal Nitride Carbodiimide with a Stuffed Skutterudite-type Structure: Synthesis, Crystal Structure and IR Spectra of (Ba6N5/6)2[NbN4][CN2]6
Authors: Reckeweg Olaf , Somer Mehmet , DiSalvo Francis J.
Published: February 2015

Coppery-red, transparent single crystals of (Ba6N5/6)2[NbN4][CN2]6 (Im¯3, no. 204, a =1125.83(3) pm, Z = 2) are obtained by the reaction of Ba2N and ZnCN2 with the container walls of the arc-welded Nb ampoules at 1100 K. The title compound assumes a stuffed skutterudite-type structure in which edge-sharing (Ba6N5/6) octahedra form large voids which are occupied by either [NbN4] tetrahedra or by [N=C=N]2− units with symmetric C=N bond lengths of d = 121.8(6) pm but a bond angle deviating significantly from linearity (∡ (N-C-N) = 175.3(9)°). The IR spectra corroborate this crystallographic result by the fact that all fundamental vibrations are visible in the IR spectrum [ν1 = 1262 (symmetric stretching mode); ν2 = 1957/2009 (antisymmetric stretching mode); ν3 = 611/633/653 cm−1 (bending modes)], which is symmetry forbidden for [N=C=N]2− units having D∞h symmetry but expected for the C2v symmetry found in the title compound.
1,3,2-Diazaalumina-[3]ferrocenophanes with Alkyn-1-yl Substituents at Aluminum
Authors: Wrackmeyer Bernd , Klimkina Elena V. , Milius Wolfgang
Published: February 2015

The 1,3,2-diazaalumina-[3]ferrocenophane-ethyl(dimethyl)amine adduct 2, containing an Al-H function, reacts with terminal alkynes R-C≡C-H [R = nBu (a), tBu (b), Ph (c), SiMe3 (d)] by elimination of H2 to the amine adducts 4a - d containing an Al-C≡C-R function. Addition of pyridine leads to the corresponding pyridine adducts 5a - d, of which the molecular structure of 5d could be determined by single crystal X-ray diffraction. The formation of 4 is accompanied by side reactions such as trimerization of the alkynes to the 1,3,5-trisubstituted benzene derivatives 6a, c, and some polymerization of the alkynes. The solution-state structures of 4 and 5 were confirmed by multinuclear magnetic resonance spectroscopy (1H, 13C, 27Al, 29Si NMR). Structural features and molecular dynamics were investigated by appropriate 1H/1H NOE and magnetization transfer experiments, and particular attention was paid to the correct assignment of 13C(Al-C≡C-R) NMR signals.
Crystal Structure and Fluorescence Properties of a New Ternary Binuclear Complex: Sm2(C3H3O2)6(phen)2
Authors: Wang Xian-Wen , Chen Fu-Ping , Chen Liang , Chen Jing-Zhong
Published: February 2015

A new ternary mixed ligand dinuclear samarium(III) complex, Sm2(C3H3O2)6(phen)2 (1) (C3H3O2 = acrylate; phen = 1,10-phenathroline), has been synthesized and characterized by microanalysis, IR and UV/vis spectra and single crystal X-ray diffraction. Compound 1 crystallizes in the triclinic space group P1̅ with cell parameters: a = 9.6687(19), b = 10.690(2), c = 10.799(2) Å , α = 105.50(3), β = 106.67(3), γ = 91.59(3)°, V = 1023.8(3) Å3. The Sm(III) cations are bridged by four acrylate anions into a dinuclear molecular unit. The nine-coordinate Sm(III) atoms adopt a significantly distorted monocapped anti-square-prismatic geometry. Within the crystal structure, the complex molecules are associated via π-π stacking interactions into one-dimensional supramolecular chains along the [011] direction. Compound 1 exhibits intense fluorescence in the solid state at room temperature.
Synthese der Amide M[N(SiMetBu2)(SitBu3)] (M = Li, Na) durch N2-Eliminierung aus den Triazeniden M[tBu3SiNNNSiMetBu2] (M = Li, Na) / Synthesis of the Amides M[N(SiMetBu2)(SitBu3)] (M = Li, Na) by N2-Elimination Reaction of the Triazenides M[tBu3SiNNNSiMetBu2] (M= Li, Na)
Authors: Lerner Hans-Wolfram , Sänger Inge , Polborn Kurt , Bolte Michael , Wagner Matthias
Published: February 2015

The thermolabile triazenides M[tBu3SiNNNSiMetBu2] (M = Li, Na) are accessible from the reaction of tBu2MeSiN3 with the silanides MSitBu3 (M = Li, Na) at −78 °C in THF. At r. t. N2 elimination from the triazenides M[tBu3SiNNNSiMetBu2] (M = Li, Na) takes place with the formation of M[N(SiMetBu2)(SitBu3)] (M = Li, Na). X-Ray quality crystals of Li(THF)[N(SiMetBu2)(SitBu3)] (orthorhombic, Pna21) are obtained from a benzene solution at ambient temperature. In contrast to the structures of the unsolvated silanides MSitBu3 (M = Li, Na), the THF adduct Li(THF)3SitBu3 is monomeric in the solid state (orthorhombic, Pna21).
Synthesis and Crystal Structures of Silver Thianthrene Complexes with Weakly Coordinating Anions
Authors: Triandi Rachmat , Beck Johannes
Published: February 2015

Two novel silver complexes with thianthrene (TA) as a ligand have been synthesized in the poorly coordinating solvent liquid sulfur dioxide, using silver salts with weakly coordinating anions [BF4]− and [SbF6]−. Both colorless compounds contain discrete molecular entities and SO2 molecules included in the crystal structure. Selection of crystals and the diffraction data collection were performed at low temperatures (123 K). The tris(μ-thianthrene-κ2S)disilver(I) bis(hexafluoroantimonate) sulfur dioxide solvate [Ag2(TA)3][SbF6]2·5SO2 (1) (monoclinic, P21/c, a = 21.644(3), b = 12.4216(4), c = 21.934(3) Å , β = 115.04(1)°, Z = 4) is made up of complexes bearing three TA units acting as bridging ligands with both S atoms towards two Ag+ ions with d(Ag+-Ag+) = 2.911 Å giving the [Ag2(TA)3]2+ unit approximately D3h molecular symmetry. The bis(μ-thianthrene-κ2S)disilver(I) bis(tetrafluoroborate) sulfur dioxide solvate [Ag2(TA)2][BF4]2・3SO2 (2) (monoclinic, C2/c, a = 21.0045(6), b = 7.4553(2), c = 22.6024(6) A° , β = 109.65(0)°, Z = 4) is made up of [Ag2(TA)2]2+units with two bridging TA units coordinating two Ag+ ions with d(Ag+-Ag+) = 2.925 Å giving the complexes approximately D2h molecular symmetry. Weak, secondary bonds between Ag+ and the F atoms of the anions, such as Ag···F-SbF5 = 2.862(4) Å in 1 or Ag···F-BF3 = 2.773(2) Å in 2, and with O atoms of SO2 molecules link the complexes with the anions and the solvate molecules, respectively.
Synthesis and a Configurational Correlation within cis- and trans- Oxazolotetrahydroisoquinolinones with an Angular Substituent
Authors: Christov Plamen P. , Palamareva Mariana D.
Published: February 2015

5-Oxo-10a-R-2,3,10,10a-tetrahydro-5H-[1,3]-oxazolo-[3,2-b]-isoquinoline-10-carboxylic acids [R = phenyl (trans-4), benzyl (trans-8, cis-8)] were prepared by reaction of homophthalic anhydride (2) and a corresponding 2-oxazoline. The configurations of trans-8 and cis-8 were assigned unequivocally based on the 2D-H-NOESY NMR spectra of the corresponding methyl esters. Compounds trans-4, trans-8 and cis-8 were converted in two steps with retention of the configuration to the target aminocarbonyl derivatives which are interesting from a pharmaceutical point of view. An important experimental correlation between the chemical shift of 10-H and the configuration of all compounds prepared was derived.
Simple Methylcadmium Alkoxides
Authors: Jana Surajit , Pape Tania , Mitzel Norbert W.
Published: February 2015

The reaction of dimethylcadmium with alcohols R-OH in equimolar ratio leads to the formation of tetrameric methylcadmium alkoxides with molecular formula [(MeCd)4 (OR)4] [R = Me (1), Et (2) and iPr (3)]. These compounds have been characterised by 1H, 13C NMR and IR spectroscopy, by mass spectrometry, elemental analyses and by X-ray crystallography (for 2 and 3). The solid state structures show distorted cubane-type aggregates with Cd4O4 cores. The structural aspects and the spectroscopic characterisations of these compounds are discussed.
Ba3YRu0.73(2)Al1.27(2)O8 and Ba5Y2Ru1.52(2)Al1.47(2)O13.5: New Perovskite Ruthenates with Partial Octahedra Replacement
Authors: Schüpp-Niewaa Barbara , Shlyk Larysa , Prots Yurii , Krabbes Gernot , Niewa Rainer
Published: February 2015

Dark red single crystals of the new phases Ba3YRu0.73(2)Al1.27(2)O8 and Ba5Y2Ru1.52(2)Al1.47(2)O13.5 have been grown from powder mixtures of BaCO3, Y2O3, Al2O3, and RuO2 . The compositions given in the formulas result from the refinements of the crystal structures based on single crystal X-ray diffraction data (hexagonal P63/mmc (No. 194), Z = 2, Ba3 YRu0.73(2)Al1.27(2)O8: a = 5.871(1), c = 14.633(3) Å , R1 = 0.035, wR2 = 0.069 and Ba5Y2Ru1.52(2)Al1.47(2)O13.5: a = 5.907(1), c = 24.556(5) Å, R1 = 0.057, wR2 = 0.114). Ba3YRu0.73(2)Al1.27(2)O8 crystallizes in a 6H perovskite structure, Ba5Y2Ru1.52(2)Al1.47(2)O13.5 has been characterized as a 10H Perovskite. Due to similar spatial extensions of (Ru2O9) facesharing pairs of octahedra and (Al2O7) vertex-sharing pairs of tetrahedra, both structures show partial mutual substitution of these units. Consequently, the title compounds may be written as Ba3Y(Ru2O9)1−x(Al2O7)x, x = 0.64(1) and Ba5Y2RuO6(Ru2O9)1−x(Al2O7)x, x = 0.74(1). This interpretation is supported by the results of electron probe microanalysis using wavelength-dispersive X-ray spectroscopy. An oxidation state of Ru close to +5 for the (Ru2O9) units, as can be derived from the distances d(Ru-Ru), additionally leads to similar charges of both the (Ru2O9) and the (Al2O7) units.
Transition Metal-Indium Substitution in Y3Rh2-type Compounds
Authors: Zaremba Roman , Rodewald Ute Ch. , Zaremba Vasyl’ I. , Pöttgen Rainer
Published: February 2015

New rare earth metal-rich indium compounds RE3T2−xInx (RE = Gd, Tb, Dy, Ho, Er, Tm; T = Rh, Pd, Ir) were synthesized from the elements via high-frequency melting and subsequent annealing in sealed silica ampoules. These intermetallics crystallize with substitution variants of the tetragonal Y3Rh2-type structure, space group I4/mcm, Z = 28. All samples were studied by powder and single crystal X-ray diffraction: a = 1164.2(2), c = 2486.5(5) pm, for Tb3Rh1.25In0.71, a = 1139.4(2), c = 2480.8(5) pm for Er3Rh1.48In0.52, a = 1153.7(2), c = 2465.4(5) pm for Tm3Rh1.25In0.71, a = 1146.4(2), c = 2498.4(5) pm for Tb3Ir1.62In0.33, a = 1154.9(2), c = 2500.1(5) pm for Tb3Ir1.52In0.44, a = 1187.8(2), c = 2559.2(5) pm for Gd3Pd1.27In0.71, and a = 1169.1(2), c = 2530.3(5) pm for Ho3Pd1.27In0.71. The indium atoms show different site occupancies on the transition metal positions, and for most crystals small defects occur for one transition metal site. Gd3Rh1.30In0.64 (a = 1166.3(2), c = 2512.0(5) pm) and Dy3Rh1.31In0.64 reveal complete rhodium-indium ordering. These two indides crystallize with the translationengleiche subgroup I4/m. The rare earth atoms in these RE3T2−xInx indides have coordination numbers between 13 and 15. A striking structural motif is the tetrahedral indium coordination in the first coordination sphere of the RE5 position (305 pm Gd-In in Gd3Rh1.30In0.64). The transition metal atoms show trigonal prismatic or square anti-prismatic rare earth coordination. In all compounds investigated, the indium atoms substitute these metals only at the square prismatic sites and at one site of coordination number 10. The crystal chemical consequences of the different ordered and statistical transition metal-indium substitutions are discussed
Third-order Nonlinear Optical Properties and Crystal Structures of N-(2-Nitrobenzalidene)-2,4-dimethylaniline and N-(3-Nitrobenzalidene)- 2,4-dimethylaniline
Authors: Karakaş Aslı , Ünverb Hüseyin , Elmalı Ayhan
Published: February 2015

N-(2-nitrobenzalidene)-2,4-dimethylaniline (1) and N-(3-nitrobenzalidene)-2,4-dimethylaniline (2) have been synthesized and characterized by X-ray diffraction analysis. Linear optical characteristics have been evaluated theoretically using the configuration interaction (CI) method. The maximum one-photon absorption (OPA) wavelengths of the studied compounds are shorter than 450 nm, giving rise to good optical transparency in the visible and near IR regions. To provide an insight into the third-order nonlinear optical (NLO) behavior of the title molecules, both dispersion-free (static) and frequency-dependent (dynamic) linear polarizabilities (α) and second hyperpolarizabilities (γ) at λ = 825 - 1125 nm and 1050 - 1600 nm wavelength ranges have been computed using the time-dependent Hartree-Fock (TDHF) method. The ab initio computational results on (hyper)polarizabilities reveal that both compounds exhibit second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behavior.
Chemical Constituents from Pedicularis rex C. B. Clarke
Authors: Chu Hong-Biao , Tan Ning-Hua , Zhanga Yu-Mei
Published: February 2015

One new ionone glycoside, pedicurexoside (1), one new flavonoid, 5, 4′-dihydroxy-3′-methoxyflavone- 7-O-6″-n-butyryl-β -D-glucopyranoside (2), two new iridoid glycosides, 6-O-ethyl-aucubin (7), 6-O-ethyl-epiaucubin (8), and one new phenylpropanoid glycoside, 4-hydroxy-phenylpropenyl- α-L-rhamnopyranosyl-(1→3)-4-O- feruloyl-β -D-glucopyranoside (13), together with eleven known compounds, apigenin (3), luteolin (4), chrysoeriol (5), luteolin-7-O-β -D-glucopyranoside (6), aucubin (9), yuheinoside (10), euphroside (11), mussaenoside (12), verbascoside (14), martynoside (15) and isomartynoside (16), were isolated from Pedicularis rex. The structures of 1 - 16 were elucidated mainly by 1D and 2D NMR techniques, MS evidence and chemical methods. The ionone derivative with thirteen carbon atoms was found in Pedicularis plants for the first time.
Oxidation von Methylpiperidin-Derivaten unter Berücksichtigung der Chiralität / Oxidation of Methylpiperidine Derivatives with Regard to Chirality
Authors: Möhrle Hans , Berkenkemper Thomas
Published: February 2015

When 2-(2-methyl-1-piperidinyl)ethanol derivatives 3a and 3b were dehydrogenated with Hg(II)- EDTA, an iminium function involving the tertiary α-carbon atom of the piperidine ring is formed regioselectively. Cyclization of these intermediates yielded diastereomeric mixtures of oxazolidines 7a and 7b, in solutions of which hydroxy-enamine species 8a/9a and 8b/9b, respectively, could be detected by NMR spectroscopy. A hydroxy-enamine derived from 7a could be trapped by cycloaddition to tetrazine 10. Protonation of the oxazolidines generated the iminium salts 6a/6b・X with loss of a chirality center. For prevention of different directions of ring dehydrogenation in the 2-(3-methyl- 1-piperidinyl)ethanol compounds, the 6-position was blocked with two methyl groups. With amino alcohol 17, the isolation of one of the racemates in pure form was achieved, which by dehydrogenation produced a diastereoisomeric lactam mixture 18, as shown by NMR spectroscopy. Reaction of 2-(4-methyl-1-piperidinyl)ethanol 19 with Hg(II)-EDTA gave rise to a diastereomeric lactam mixture 21 in the ratio 60 : 40. From enantiomerically pure phenyloxiranes, the amino alcohols R(-)-19 and S(+)-19 became available. Their dehydrogenation under standardized conditions always showed a spreading range of isomeric lactams, which could not be separated.
Conjugated Compounds Based on Vinylthiazole Units
Authors: Meier Herbert , Nicklas Frank , Petermann Ralf
Published: February 2015

Conjugated compounds based on vinylthiazole units show a strong polarization along the π chain, when NR2 groups as electron donors are attached in the terminal position. The effect can be even more enhanced by a CHO group as electron acceptor in the opposite terminal position. This property makes such oligomers (n = 1, 2, . . . ) interesting for applications in linear and nonlinear optics.
Optical and Structural Properties of a Eu(II)-Doped Silico-aluminate with Channel Structure and Partial Site Occupation
Authors: Rief Andreas , Kubel Frank , Hagemann Hans
Published: February 2015

A new barium silico-aluminate phase with the stoichiometry Ba13.35(1) Al30.7Si5.3O70 has been found and characterized. The compound crystallizes in the space group P63/m (No. 176) with a = 15.1683(17), c = 8.8708(6) Å, V = 1767.5(4) Å3, Z = 1, Rw = 0.026, 32 refined parameters. A 3-dimensional matrix of Al/SiO4 tetrahedra with Ba(II) ions located in channels along the c axis builds up the structure. One of these channels is partially filled with Ba(II) ions (CN 6+3) in Wyckoff position 2a, leaving ~ 1/3 of the positions empty. The second and third type of Ba(II) ions occupy channels orientated along the c axis with CN 4+2+2 and 4+3+1, respectively. The structure shows a rare clustered arrangement of six tetrahedra filled exclusively by Al(III) and therefore is an exception to Loewenstein’s rule. The other tetrahedral positions show an Al to Si ratio of ~ 4 : 1. The Al/Si-O bond lengths in the tetrahedral Al/Si positions drawn vs. site occupation show linear behavior similar to the prediction by Vegard’s rule for solid solutions. After doping with Eu(II) the compound shows bright orange-yellow luminescence with an unusual large shift of the Eu(II) emission band.
The Crystal Structure of NbO2I – A Double-layer Structure with 7-Coordinated Niobium
Authors: Hartwig Sabina , Hillebrecht Harald
Published: February 2015

Single crystals of NbO2I were obtained as dark red needles by chemical transport. According to the structure determination (Pnma, a = 20.897(4), b = 3.7654(8), c = 3.9715(8) Å , Z = 4, 619 reflections, 26 variables, R1(F) = 0.0645, wR2(F2) = 0.1597) NbO2I represents a new structure type with 7- coordinated Nb atoms. Pentagonal bipyramids NbO5I2 are connected via the apical O atoms with alternating short and long Nb-O distances (1.79 / 2.20 Å ) to chains and via the three equatorial O atoms to double layers. Between the double layers there are only weak van-der-Waals interactions of the I atoms. NbO2I is the first oxide halide of a transition metal with CN 7. Structurally NbO2I is closely related to UO2Br, but with alternating short and long Nb-O distances as a difference.
Two Drimane-type Sesquiterpenes, Strobilactones A and B, from the Liquid Culture of the Edible Mushroom Strobilurus ohshimae
Authors: Shiono Yoshihito , Hiramatsu Fuminori , Murayama Tetsuya , Koseki Takuya , Funakoshi Takayuki , Ueda Koji , Yasuda Hironori
Published: February 2015

Two novel drimane sesquiterpenoids, strobilactones A (3) and B (4), were isolated fromthe organic extract of a liquid culture of Strobilurus ohshimae. The structures of 3 and 4 were determined by spectroscopic methods. Compounds 3 and 4 exhibit cell growth inhibitory activities against cultured COLO 201 cells. Compound 4 also shows antimicrobial activity against Staphylococcus aureus and Pseudomonas aeruginosa.
THE INHIBITORY EFFECT OF ESSENTIAL OILS ON THE GROWTH OF GENUS PENICILLIUM ISOLATED FROM PEANUTS BY CONTACT VAPOR
Authors: Císarová Miroslava , Tančinová Dana , Brodová Marianna
Published: February 2015

The aim of this study was evaluation of the antifungal activity of 5 essential oils (EOs). We used concretely thyme, clove, basil, jasmine and rosemary EOs by vapor contact against the fungal species, namely Penicillium citrinum (P1 – P2), P. crustosum (P3 – P4) and P. expansum (P5 – P6) and their ability to affect production of mycotoxins. Each fungus was inoculated in the center on Czapek Yeast Autolysate Agar (CYA) dishes. Dishes were tightly sealed with parafilm and incubated for fourteen days at 25 ± 1 °C (three replicates were used for each treatment). Volatile phase effect of 50 μl of the essential oils was found to inhibit on growth of Penicillium spp.. Fungicidal and fungistatic concentracions (MFC) were determined by microathmosphere method. Complete growth inhibition of the isolates by EOs of thyme and clove was observed. The most sensitive isolate was P. crustosum (P4) (P < 0.05) The essential oils (EOs) of basil and rosemary had antifungal effect on growth of P. citrinum (P1 – P2) after 3 day of the incubation at concentration 100 % of EOs. The most resistant isolates were P. expansum (P5 – P6). Growth of these isolates was inhibited by thyme and clove EOs (100 %), like each other tested isolates, but with effective MFC concentration of 30 % (30/70; v/v) after all days of cultivation. Data were evaluated statistically by 95.0 % Tukey HSD test. In this stud, we also tested potential effect of EOs to affect production of mycotoxins of tested Penicillium isolates which are potential toxigenic fungi. After 14 days of incubation with EOs (100 %) with control sets, they were screened for a production of mycotoxins by TLC chromatography. Oils exhibited a various spectrum of fungal toxicity inhibit all tested species except the jasmine EO.
The present study demonstrated the potential food preservative ability of the thyme, clove, basil, jasmine and rosemary EOs. The jasmine EO has none antifungal or anti – toxic activity.
MICROFUNGI AND MYCOTOXINS OF GRAPES FROM EASTERN SLOVAK WINE REGION
Authors: Felšöciová SoÅa , Rybárik Ä½ubomÃ­r , Tančinová Dana , Mašková Zuzana , Kačániová Miroslava
Published: February 2015

The current study investigated an endogenous mycobiota of grapes in Eastern wine region, Slovakia and detection a potentially pathogenic isolates to produce selected mycotoxins. Intact berries from four wine grape cultivars were tested. Seven/eight berries superficially sterilized from each samples were placed on a Dichloran Rose Bengal Chloramphenicol agar in a total of 50 and incubated at 25 °C, 5 - 7 days. A total of 582 isolates were obtained that belonged to ten genera: Alternaria, Aspergillus, Botrytis, Cladosporium, Epicoccum, Fusarium, Mucor, Penicillium, Rhizopus, Trichoderma and one unidentified genus Mycelium sterillium without creation fruiting bodies. The most frequent were genera Alternaria, Aspergillus, Botrytis and Penicillium with 100 % frequention. The most frequent Aspergillus species was Aspergillus section Nigri (100 %) and Penicillium species was Penicillium chrysogenum (50 %). The largest number of isolates belonged to Alternaria (275 isolates), Cladosporium (114 isolates) and Penicillium (92 isolates). For that reason the relative density of both genera were the highest 42 %, 19.6 % and 15.8 %, respectively. The selected isolates – Aspergillus flavus, Aspergillus section Nigri, Penicillium citrinum, Penicillium expansum and Penicillium chrysogenum were tested for patulin, citrinin, penitrem A, roquefortin C, ochratoxin A, aflatoxin B1, G1 and cyclopiazonic acid producing ability. Out of 11 strains 54 % produced at least one mycotoxin. In our research ochratoxigenic microfungi (some species of Aspergillus section Nigri) were found in grape samples but without production of OTA.
MICROFUNGI AND MYCOTOXINS OF GRAPES FROM TOKAJ WINE REGION
Authors: Felšöciová* SoÅa , Rybárik Ä½ubomÃ­r , Tančinová Dana , Mašková Zuzana , Kačániová Miroslava
Published: February 2015

The aim of this study was to investigate a surface mycobiota of grapes and detection a potentially pathogenic isolates to produce selected mycotoxins. Three samples of wine grapes Furmint, Lipovina and Yellow muscat were collected in the Tokaj wine region in Viničky during the November harvest in 2012. Seven/eight berries from each sample were placed on a Dichloran Rose Bengal Chloramphenicol agar in a total of 50 and incubated at 25 °C for 5 - 7 days. After incubation from the samples were isolated following filamentous fungi: Alternaria, Aspergillus, Botrytis, Cladosporium, Mucor, Penicillium, Phoma, Rhizopus, Trichoderma and Mycelium sterillium. The most frequent were genera Aspergillus, Botrytis and Penicillium with 100 % frequention. The largest number of isolates belonged to Penicillium (368 isolates) and Botrytis (334 isolates). For that reason the relative density of both genera were the highest 47 % and 43 %, respectively. The selected isolates - Aspergillus section Nigri, Penicillium crustosum, Penicillium expansum and Penicillium chrysogenum were tested for patulin, citrinin, penitrem A, roquefortin C and ochratoxin A producing ability. A higher percentage of Penicillium crustosum isolates (79 %) were positive for penitrem A and all were positive for roquefortin C. A higher percentage of Penicillium expansum (83 %) were positive for patulin, 72 % for citrinin and they were all positive for roquefortin C. All isolates of Penicillium chrysogenum produced roquefortin C. As would be expected, ochratoxin A was not detected from Aspergillus section Nigri.
ISOLATION AND CHARACTERIZATION OF STREPTOMYCES RISHIRIENSIS (VY31) WITH ANTIBIOTIC ACTIVITY AGAINST VARIOUS PATHOGENIC MICROORGANISMS
Authors: Charousová Ivana , Javoreková SoÅa , Wink Joachim
Published: February 2015

Actinomycete strain VY31 was isolated from agriculture soil of region Východná, Slovakia. Morphological, physiological and biochemical studies indicated that this isolate belongs to the genus Streptomyces. The 16S rRNA sequence data supported the assignment of the isolate to the genus Streptomyces rishiriensis (sequence similarity 97%). Tested isolate was able to produce melanin dark pigment and exopigments on ISP6, ISP7 and SSM+T cultivating media. The optimal pH range was from 6-8 and optimal temperature at 30 °C. The strain exhibited salt tolerance up to 5 % and utilized the carbon sources such as glucose, arabinose, xylose, inositol, mannose, fructose, rhamnose and rafinose. Using ApiZym® stripes, the highest production of enzymes was determined for phosphatase alkaline, leucinearylamidase, valinearylamidase, phosphatase acid, naphtol-AS-BI-phosphohydrolase, galactosidase and glucosidase (>40 nmol). According to ApiCoryne® results, positive reaction was confirmed in case of esculin, alkaline phosphatase, and this strain was also able to hydrolyze gelatine. Minimum Inhibitory Concentration (MIC) of the purified extract of isolate was evaluated against Gram-positive bacteria Staphylococcus aureus and Enterococcus faecium, Gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa and against yeast Candida albicans. On the basis of MIC results, strain VY31 had noticeable antibacterial activity against Staphylococcus aures N315 (MRSA) from collection database of University Hospital in Hamburg, Germany. This isolate could be used in the development of new antibiotics for pharmaceutical purposes.
BIOGENIC AMINES CONTENT IN DIFFERENT WINE SAMPLES
Authors: Kántor Attila , Kačániová Miroslava , Pachlová Vendula
Published: February 2015

Twenty-five samples of different Slovak wines before and after filtration were analysed in order to determine the content of eight biogenic amines (tryptamine, phenylalanine, putrescine, cadaverine, histamine, tyramine, spermidine and spermine). The method involves extraction of biogenic amines from wine samples with used dansyl chloride. Ultra-high performance liquid chromatography (UHPLC) was used for determination of biogenic amines equipped with a Rapid Resolution High Definition (RRHD), DAD detectors and Extend-C18 LC column (50 mm x 3.0 mm ID, 1.8 μm particle size). In this study the highest level of biogenic amine in all wine samples represent tryptamine (TRM) with the highest content 170.9±5.3 mg/L in Pinot Blanc wine. Phenylalanine (PHE) cadaverine (CAD), histamine (HIS) and spermidine (SPD) were not detected in all wines; mainly SPD was not detected in 16 wines, HIS not detected in 14 wines, PHE and CAD not detected in 2 wines. Tyramine (TYR), spermine (SPN) and putrescine (PUT) were detected in all wines, but PUT and SPN in very low concentration. The worst wine samples with high biogenic amine content were Saint Laurent (BF), Pinot Blanc (S) and Pinot Noir (AF).
ANTIMICROBIAL ACTIVITY OF ROSA CANINA FLOWERS AGAINST SELECTED MICROORGANISMS
Authors: Rovná KatarÃ­na , Petrová Jana , Terentjeva Margarita , Černá Jana , Kačániová Miroslava
Published: February 2015

Rosa canina flowers were screened against various plant pathogenic microbial strains to study the antimicrobial properties of the plant. Ethanolic and methanolic extracts of flowers were screened applying agar well diffusion method against two Gram-negative bacteria including Escherichia coli CCM 3988 and Pseudomonas aeruginosa CCM 1960 and three microscopic filamentous fungi strains Aspergillus niger, Fusarium culmorum and Alternaria alternata, respectively. The best antimicrobial effect of ethanolic extract of Rosa canina flowers was found against Pseudomonas aeruginosa and the best antimicrobial effect of methanolic extract of Rosa canina flowers was found against Escherichia coli.
SEQUENCE ANALYSIS OF SUNDEW CHITINASE GENE
Authors: Ďurechová Dominika , Matušíková IldikÃ³ , Moravčíková Jana , Jopčík Martin , Libantová Jana
Published: February 2015

Progress in biotechnology has generated an interest towards the isolation and characterization of genes that should be used in strengthening of plant defence against biotic and abiotic stresses. Here we focused on sequence analysis of the chitinase gene isolated from untraditional genetic source, carnivorous plant sundew (DroserarotundifoliaL.). The genomic sequence of DrChit indicated the coding region contained three exons and two introns.Splicing of introns predicted in silicowas confirmed by experimental approach. Moreover, RACE (rapid amplification cDNA ends) analysis revealed the transcription start sitelocated 41 bp upstream of the ATG start codon. This is one of the first reports onthe isolation and molecular characterization of chitinase gene from the carnivorous sundew plant.
Corn Response to POST-Applied HPPD-Inhibitor Based Premix Herbicides with In-Furrow and Foliar-Applied Insecticides
Authors: Steckel Lawrence E. , Stewart Scott D. , Steckel Sandy
Published: February 2015

In recent years injury has been reported in numerous Tennessee corn fields treated with an organophosphate (OP) insecticide and either a mesotrione- or tembotrione-based herbicide premix. Research was conducted with the objective to determine if corn treated with an in-furrow application of chlorpyrifos or a foliar application of chlorpyrifos or bifenthrin, or a combination of in-furrow and foliar treatment, would be more predisposed to injury when either a premix ofS-metolachlor, mesotrione, and glyphosate (meso premix) or a premix of tembotrione plus thiencarbazone (tembo premix) was applied. The main effects of insecticide or herbicide, the two-way interaction of insecticide by herbicide, and the three-way interaction of herbicide by insecticide by application type of insecticide were all significant for injury as well as yield. When chlorpyrifos was used both in-furrow and foliarly on corn treated with the tembo premix, injury was increased to 56% and yield was reduced 58% compared with corn that had not been treated with that insecticide. This use pattern of chlorpyrifos utilized in-furrow followed by chlorpyrifos applied foliarly with the tembo premix essentially doubled the injury (29 to 56%) and increased yield loss from 41% where chlorpyrifos was only utilized foliarly to 49% when chlorpyrifos was applied in-furrow and foliarly. Corn injury was negligible (< 6%) and yield was similar where the meso premix was examined in combination of both types of insecticide applications. This study clearly demonstrated the phytotoxic interaction between these two herbicide premixes and the OP insecticide chlorpyrifos. Therefore, growers need to be mindful of which herbicides are utilized when OP insecticides are used for insect management.
Two Coumarins with Safener Activity from Rhizoma et Radix Notopterygii
Authors: Hu Li-Feng , Wang Li-Feng , Zhou Xiao-Mao , Luo Kun , Bai Lian-Yang
Published: February 2015

Rhizoma et Radix Notopterygii is often used as a traditional medicine in China. In our recent work, we found that the ethanol crude extract of Rhizoma et Radix Notopterygii could reduce phytotoxicity of acetochlor on rice. The crude extract of Rhizoma et Radix Notopterygii was isolated and purified by activity-guided fractionation. Two coumarins, isopimpinellin and 5-methoxypsoralen (5-MOP) were identified, and their bioactivity was tested in a growth chamber. The results showed that the two coumarins increased herbicide tolerance of rice shoots, and 5-MOP demonstrated better protection than isopimpinellin. The treatment of 5-MOP at 50 g ai ha−1 recovered the shoot height of rice from 42.6% (treated with acetochlor only) to 81.6% of the control treated without acetochlor, whereas the phytocidal activity of acetochlor on barnyardgrass was not impaired by 5-MOP. Further study suggested that 5-MOP increases herbicide tolerance of rice by enhancing the glutathione S-transferase level of activity in rice. Our findings suggest that isopimpinellin and 5-MOP have the potential to be applied as safeners for rice.
REFLEXÕES SOBRE O PROGRAMA NACIONAL DE ALIMENTAÇÃO ESCOLAR – PNAE
Authors: Plaça Orosco de Souza Graziella , José Martines de Oliveira Aparecida , Mayumi Murashita Takenaka Edilene
Published: February 2015

No intuito de desmistificar a visão assistencialista projetada pela sociedade civil e sua participação na operacionalização das políticas públicas, o trabalho discute sobre o Programa Nacional de Alimentação Escolar - PNAE, apontando potencialidades e fragilidades na região do Pontal do Paranapanema. Foram observados estudos de casos, legislações, e analisado o Programa para se comparar sua proposta e o que os estudos apontaram neste sentido. Constatou-se que a maior participação da sociedade poderia contribuir para a desmistificação do objeto norteador do programa, que se distancia do assistencialismo. PALAVRAS-CHAVE: Programa Nacional de Alimentação Escolar – PNAE. Políticas Públicas. Agricultor Familiar.   REFLECTIONS ON THE NATIONAL SCHOOL FEEDING PROGRAMME - PNAE ABSTRACT In order to demystify the welfarism vision projected by the civil society and its participation in the operationalization of public policies, this paper discusses about the National School Feeding Program – PNAE, pointing out strengths and weaknesses in the Pontal do Paranapanema region. Studies of cases and laws were observed, and the Program was analyzed in order to compare their proposal and what the studies point to this direction. It was found that the greater participation of society could contribute to the demystification of the guiding object of program, which moves away from welfarism.   KEY-WORDS: National School Feeding Program – PNAE. Public Policies. Family Farmer.  PROGRAMA DE ALIMENTACIÓN ESCOLAR NACIONAL – PNAE RESUMEN Con el fin de desmitificar la visión asistencialista proyectada por la sociedad civil y su participación en la operación de las políticas públicas, el trabajo discute sobre el Programa de Alimentación Escolar Nacional – PNAE, destacando los puntos fuertes y débeles en la región del Pontal del Paranapanema. No se observaron casos de estudio, las leyes, y analizaron el Programa para comparar su propuesta y lo que los estudios apuntan en esta dirección. Se encontró que la más intensa participación de la sociedad puede contribuir a la desmitificación de guiar el objeto del programa que se aleja de bienestar. PALABRAS CLAVE: Programa de Alimentación Escolar Nacional – PNAE. Políticas Públicas. Agricultor Familiar.
CIDADE, TRABALHO E HABITAÇÃO: OBSERVAÇÕES INICIAIS SOBRE A QUALIDADE HABITACIONAL
Authors: Dique Fragozo Sônia , Borges Mamede Bruno , Otávio Cocito de Araújo Luis
Published: February 2015

Este artigo materializa o início da pesquisa de mestrado da autora principal e pretende abordar a relação existente entre a produção das cidades a partir do trabalho e a localização das habitações destinadas à populações com menores níveis de renda. Estas estão segregadas das áreas urbanas com maior quantidade de infraestrutura e, desta maneira, ocupam bairros marginais e cada vez mais distantes destas áreas. Com as políticas recentes de urbanização de áreas com assentamentos precários, a melhoria das habitações comporia uma etapa complementar a busca de melhor qualidade de vida destes locais. Palavras-Chave: Engenharia Urbana, Habitabilidade Urbana, Urbanismo Sustentável.   CITY, WORK AND HOUSING: INITIAL OBSERVATIONS ON THE QUALITY HOUSING ABSTRACT This article materializes the begging of the main author’s research for her master’s degree and pretends to analyze the existent relationship between the production of cities from working/labor and the placement of habitations designated to population with lower levels of income. These ones are segregated from the areas with more urban infrastructure and, therefore, occupy marginal and even farther neighborhoods from those. Observing recent politics directed to precarious settlements urbanization, the habitation implement would compose a complementary step for the raising of local life quality. Keywords: Urban Engineering, Urban Habitability, Sustainable Urbanism. CIUDAD DE TRABAJO Y VIVIENDA: OBSERVACIONES INICIALES SOBRE LA CALIDAD DE LA VIVIENDA RESUMÉN Este artículo materializa el inicio de la investigación de maestría de la autora principal y busca abarcar la relación existente entre la producción de ciudades a partir del trabajo y la localización de las habitaciones destinadas a las poblaciones con los menores niveles de renda. Estas están segregadas de las áreas con mayor presencia de infraestructura urbana y, así, ocupan los barios marginales y cada vez más distantes de aquellas. Observando las políticas direccionadas a la urbanización de asentamientos precarios, la implementación de las habitaciones podría componer una etapa al aumento de la calidad de vida local. Palabras-Clave: Ingeniería Urbana, Habitabilidad Urbana, Urbanización Sostenible.
PROGRAMA DE GESTÃO DE RESÍDUOS – POLI USP RECICLA
Authors: G. Barbosa Jr Welson , Da Silva El-Bachá Amanda
Published: February 2015

O Programa de Gestão de Resíduos da Escola Politécnica da USP, denominado Poli USP Recicla, foi criado em 2006 com o objetivo de transformar a gestão sustentável de todos os resíduos gerados nas diversas atividades da Poli em uma extensão natural de suas atividades. O programa é delineado em consonância com as diretrizes da Escola e busca cumprir na íntegra a legislação vigente, além de trabalhar com o conceito de resíduo mínimo, evitando a confecção de impressos descartáveis e fazendo uso intenso da mídia eletrônica e de placas permanentes. O Poli Recicla administra cinco projetos principais: Gestão de Lâmpadas Fluorescentes; Gestão de Pilhas e Baterias; Gestão de Resíduos Laboratoriais; Gestão de Toners/Cartuchos; Coleta Seletiva de Resíduos Não Perigosos. A equipe do Poli Recicla continua com o processo de consolidação e ampliação destes projetos, com envolvimento dos funcionários, docentes e alunos da Escola, além dos funcionários terceirizados da limpeza. O programa teve reconhecimento institucional e foi solicitado a auxiliar na implantação dos processos em instituições externas, convidado para apresentações em eventos de gestão ambiental, além de auxiliar outras unidades da USP. Palavras-chave: Gestão Sustentável. Resíduos. Reciclagem.