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This page shows you the most recent publications within this specialty of the MedWorm directory. This is page number 22.

DNAzyme Footprinting: Detecting Protein–Aptamer Complexation on Surfaces by Blocking DNAzyme Cleavage Activity
Journal of the American Chemical SocietyDOI: 10.1021/ja311367t
Source: Journal of the American Chemical Society - January 31, 2013 Category: Chemistry Authors: Yulin Chen and Robert M. Corn Source Type: research

Fault Detection and Identification Based on the Neighborhood Standardized Local Outlier Factor Method
Industrial & Engineering Chemistry ResearchDOI: 10.1021/ie302042c
Source: Industrial and Engineering Chemical Research - January 31, 2013 Category: Chemistry Authors: Hehe Ma, Yi Hu and Hongbo Shi Source Type: research

Micropipet Tip-Based Miniaturized Electrochemical Device Combined with Ultramicroelectrode and Its Application in Immobilization-Free Enzyme Biosensor
Analytical ChemistryDOI: 10.1021/ac303223u
Source: Analytical Chemistry - January 31, 2013 Category: Chemistry Authors: De-Wen Zhang, Jing-Xin Liu, Ji Nie, Ying-Lin Zhou and Xin-Xiang Zhang Source Type: research

Use of secondary-treated wastewater for the production of Muriellopsis sp.
Abstract In this paper, the use of secondary-treated wastewater as the culture medium for the production of Muriellopsis sp. microalgal biomass is analyzed. Using this wastewater, a maximum biomass productivity of 0.5 g l(-1) day(-1) was measured, it being only 38 % lower than that achieved using the standard culture medium. Due to the low nitrogen content of secondary-treated wastewater, cultures produced in a medium containing a high percentage of it become nitrate-limited, thus the quantum yield reduces by up to 0.38 g E(-1)-this compares to 0.67 g E(-1) when using a standard culture medium. On the o...
Source: Applied Microbiology and Biotechnology - January 31, 2013 Category: Microbiology Authors: Gómez C, Escudero R, Morales MM, Figueroa FL, Fernández-Sevilla JM, Acién FG Tags: Appl Microbiol Biotechnol Source Type: research

Simvastatin inhibits ox-LDL-induced inflammatory adipokines secretion via amelioration of ER stress in 3T3-L1 adipocyte.
In conclusion, ox-LDL can stimulate the expression and secretion of TNF-α and MCP-1 through its activation of ER stress in adipocytes. Simvastatin might exert direct anti-inflammatory effects in adipocytes through amelioration of ER stress. PMID: 23376721 [PubMed - as supplied by publisher]
Source: Biochemical and Biophysical Research communications - January 31, 2013 Category: Biochemistry Authors: Wu ZH, Chen YQ, Zhao SP Tags: Biochem Biophys Res Commun Source Type: research

Quantitative-spatial assessment of soil contamination in S. Francisco de Assis due to mining activity of the Panasqueira mine (Portugal).
Abstract Through the years, mining and beneficiation processes produces large amounts of As-rich mine wastes laid up in huge tailings and open-air impoundments (Barroca Grande and Rio tailings) that are the main source of pollution in the surrounding area once they are exposed to the weathering conditions leading to the formation of AMD and consequently to the contamination of the surrounding environments, in particularly soils. In order to investigate the environmental contamination impact on S. Francisco de Assis (village located between the two major impoundments and tailings) agricultural soils, a geochemical s...
Source: Environmental Science and Pollution Research International - January 31, 2013 Category: Environmental Health Authors: Ferreira da Silva E, Freire Ávila P, Salgueiro AR, Candeias C, Garcia Pereira H Tags: Environ Sci Pollut Res Int Source Type: research

Applicability of polar organic compound integrative samplers for monitoring pesticides in groundwater.
Abstract Polar organic chemical integrative samplers (POCISs) for the monitoring of polar pesticides in groundwater were tested on two sites in order to evaluate their applicability by comparison with the spot-sampling approach. This preliminary study shows that, as in surface water, POCIS is a useful tool, especially for the screening of substances at low concentration levels that are not detected by laboratory analysis of spot samples. For quantitative results, a rough estimation is obtained. The challenge is now to define the required water-flow conditions for a relevant quantification of pesticides in groundwat...
Source: Environmental Science and Pollution Research International - January 31, 2013 Category: Environmental Health Authors: Berho C, Togola A, Coureau C, Ghestem JP, Amalric L Tags: Environ Sci Pollut Res Int Source Type: research

Overcoming matrix effects in the chemiluminescence determination of extracellular ATP in erythrocyte suspensions.
Abstract As erythrocyte-derived extracellular ATP gains recognition as a key vasodilator, its accurate determination is critical. Erythrocytes' high hemoglobin content can act as an inner filter when measuring ATP concentrations by chemiluminescence. We evaluated two approaches to correct for this matrix effect: addition of cell-free hemoglobin to the ATP standards and standard addition of ATP to erythrocyte suspensions. In addition, we reduced sample hematocrit to minimize the absorbance. We conclude that extracellular ATP should be determined in erythrocyte suspensions at 0.06-0.004% hematocrit. This gives robust...
Source: Analytical Biochemistry - January 31, 2013 Category: Biochemistry Authors: Clarke A, Ouellet M, English AM Tags: Anal Biochem Source Type: research

New alkylated benzoquinone from Iris nepalensis.
Abstract Chemical investigation of chloroform extract of rhizomes of Iris nepalensis yielded new alkylated 1,4-benzoquinone derivative (1). The structure of Compound 1 was established by analysis of spectroscopic data. Compound 1 was evaluated for cytotoxic activities against human cancer cell lines A549, HL-60, HCT116 and ZR-75. Compound 1 showed least cytotoxicity against HL-60, HCT116 and ZR-75-30. PMID: 23362956 [PubMed - as supplied by publisher]
Source: Natural Product Research - January 31, 2013 Category: Biochemistry Authors: Tantry MA, Ghazanfar K, Zargar UR Tags: Nat Prod Res Source Type: research

A review on indole alkaloids isolated from Uncaria rhynchophylla and their pharmacological studies.
Abstract Uncaria rhynchophylla (Miq.) Jacks, Rubiaceae, is one of the original plants of the important Chinese crude drug, Gou teng, mainly used for the treatment of convulsion, hypertension, epilepsy, eclampsia, and cerebral diseases. The pharmacological activities of this plant are related to the presence of active compounds predominantly indole alkaloids. In this article, we have reviewed some reports about the pharmacological activities of the main indole alkaloids isolated from U. rhynchophylla. This review paper will contribute to the studies on the chemistry, safety and quality control of medicinal preparati...
Source: Fitoterapia - January 31, 2013 Category: Biochemistry Authors: Ndagijimana A, Wang X, Pan G, Zhang F, Feng H, Olaleye O Tags: Fitoterapia Source Type: research

A small organic compound enhances the religation reaction of human topoisomerase I and identifies crucial elements for the religation mechanism.
Abstract The different steps of the human topoisomerase I catalytic cycle have been analyzed in the presence of a pentacyclic-diquinoid synthetic compound. The experiments indicate that it efficiently inhibits the cleavage step of the enzyme reaction, well fitting into the catalytic site. Surprisingly the compound, when incubated with the binary topoisomerase-DNA cleaved complex, helps the enzyme to remove itself from the cleaved DNA and close the DNA gap increasing the religation rate. The compound also induces the religation of the stalled enzyme-camptothecin-DNA ternary complex. Analysis of the molecule docked o...
Source: Bioscience Reports - January 31, 2013 Category: Biomedical Science Authors: Arnò B, Coletta A, Tesauro C, Zuccaro L, Fiorani P, Lentini S, Galloni P, Conte V, Floris B, Desideri A Tags: Biosci Rep Source Type: research

Telomerase Inhibitors from Cyanobacteria: Isolation and Synthesis of Sulfoquinovosyl Diacylglycerols from Microcystis aeruguinosa PCC 7806.
Abstract By using the Telospot assay, 27 different extracts of cyanobacteria were evaluated for telomerase inhibition. All extracts showed varying, but significant activity. We selected Microcystis aeruguinosa PCC 7806 to identify the active compound and a bioassay guided fractionation led us to isolate mixtures of sulfoquinovosyl diacylglycerols (SQDGs), which were identified by 2D NMR and MS/MS experiments. Pure SQDG derivatives were then synthesized. The IC(50) values of pure synthetic sulfoquinovosyl dipalmitoylglycerol and the monopalmitoylated derivative against telomerase were determined to be 17 and 40 μ...
Source: Chemistry - January 31, 2013 Category: Chemistry Authors: Makhlouf Brahmi M, Portmann C, D'Ambrosio D, Woods TM, Banfi D, Reichenbach P, Da Silva L, Baudat E, Turcatti G, Lingner J, Gademann K Tags: Chemistry Source Type: research

An Automatic Molecular Dispenser of Chloride.
Abstract The combined activity of the 1.1.1-cryptand and of a dicopper(II) bistren cryptate complex including chloride makes the Cl(-) ion be continuously and slowly delivered to the solution, without any external intervention. The 1.1.1-cryptand slowly releases OH(-) ions, according to a defined kinetics, and each OH(-) ion displaces a Cl(-) ion from the cryptate. Chloride displacement induces a sharp colour change from bright yellow to aquamarine and can be conveniently monitored spectrophotometrically, even in diluted solutions. The 1.1.1-cryptand is the motor of a molecular dispenser (the dicopper(II) cryptate)...
Source: Chemistry - January 31, 2013 Category: Chemistry Authors: Alibrandi G, Amendola V, Bergamaschi G, Dollenz R, Fabbrizzi L, Licchelli M, Lo Vecchio C Tags: Chemistry Source Type: research

On the Mechanism of the Dehydroaromatization of Hexane to Benzene by an Iridium Pincer Catalyst.
Abstract The developments in the area of transition-metal pincer complexes have opened up new avenues for conversion of saturated hydrocarbons to more useful aromatic compounds under homogeneous reaction conditions. In the backdrop of an interesting series of conversions of unbranched alkanes to benzene, toluene, and xylene (known as the BTX family aromatics) reported by Goldman and co-workers (Nature Chem. 2011, 3, 167), we herein present a comprehensive mechanistic picture obtained by using density functional computations. The reaction involves an iridium-PCP-pincer-catalyzed dehydroaromatization of hexane to ben...
Source: Chemistry - January 31, 2013 Category: Chemistry Authors: Thawani A, Rajeev R, Sunoj RB Tags: Chemistry Source Type: research

Templating Irreversible Covalent Macrocyclization by Using Anions.
Abstract Inorganic anions were used as templates in the reaction between a diamine and an activated diacid to form macrocyclic amides. The reaction conditions were found to perform the macrocyclization sufficiently slow to observe a template effect. A number of analytical methods were used to clarify the reaction mechanisms and to show that the structure of the intermediate plays a decisive role in determining the product distribution. For the macrocyclization under kinetic control, it was shown that the amount of a template, the conformational rigidity of building blocks, and the anion affinities of reaction compo...
Source: Chemistry - January 31, 2013 Category: Chemistry Authors: Kataev EA, Kolesnikov GV, Arnold R, Lavrov HV, Khrustalev VN Tags: Chemistry Source Type: research

Recent Advancements in Small Molecule Inhibitors of Insulin-like Growth Factor-1 Receptor (IGF-1R) Tyrosine Kinase as Anticancer agents.
Abstract Advancements in understanding of the genetics, genomics, biochemistry and the pharmacology of cancer in human, have driven the current cancer chemotherapy to intently focus on development of target-based approaches rather than conventional approaches. From among the various targets identified, validated and inhibited at different hallmarks of cancer, protein tyrosine kinases (PTKs) have been exploited the most. Insulin receptors (IRs), insulin like growth factor receptors (IGF-1R) and their hybrid receptors belong to tyrosine kinase receptor (TKR) family, constitute a structural homology among them and gen...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Negi A, Ramarao P, Kumar R Tags: Mini Rev Med Chem Source Type: research

The GABA A Receptor Subunits Heterologously Expressed in Xenopus Oocytes.
Abstract The γ-aminobutyric acid (GABA) A receptor is composed of a variety of subunits and combinations and shows a characteristic distribution in the CNS. To date, 20 subunits of the GABA A receptor have been cloned: α16, β14, γ13, δ, π, ε, θ, and ρ13. Oocyte of Xenopus laevis is one of the most frequently used heterologous expression systems, which are used to design and analyze specific combinations of GABA A receptor subunits. In oocytes, a certain GABA A receptor function is studied only by comparing the amplitude of the response to GABA and other drugs by physiological and pharmacological methods. A...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Abdullah JM, Zhang J Tags: Mini Rev Med Chem Source Type: research

Bioactive Natural Products from the Antarctic and Arctic Organisms.
Abstract Polar regions are remote and challenging areas on the earth. In view of the unique environment and the severe competition in polar regions, it's considered that the ecological system might be the producer of new compounds with diversity biological activities. This review is an attempt to consolidate the studies about 97 natural products isolated from Antarctic and arctic organisms including microbes, algae, sponges, bryozoans, and tunicates and so on published in the recent years. The emphasis is mainly about the new compounds, source organisms and biological activities, which signifies the immense compete...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Liua JT, Lua XL, Liu XY, Gao Y, Hu B, Jiao BH, Zheng H Tags: Mini Rev Med Chem Source Type: research

Taxol: Efficacy Against Oral Squamous Cell Carcinoma.
Abstract In medicinal chemistry, one of the most studied molecules in recent history is taxol. Taxol is a versatile natural product that is used in various cancer treatment regimens. It is administered to patients with breast, lung, and ovarian cancers, and is currently being studied for the treatment of squamous cell carcinoma of the oral cavity and tongue. Taxol has been tested in a number of research and clinical phase trials to determine feasibility, toxicity, and cytotoxicity against oral squamous cell carcinoma as a single drug regimen and as a contributing drug component in treatment plans. This paper review...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Ledwitch K, Ogburn R, Cox J, Graham R, Fritzshe A, Gosnell D, Manning T Tags: Mini Rev Med Chem Source Type: research

Biotransformation of Vulgarin.
Abstract Using a standard two-stage fermentation technique, the fungus Beauveria bassiana (ATCC 7159) was found to convert the eudesmanolide vulgarin (1) to 1,4-dihydroxy-5H,6,11H-eudesman-6,12-olide (2). The use of the yeast Hansenula anomala ATCC 20170 instead, produced the less polar 4-hydroxy-1-oxo-5H,6,11H-eudesman-6,12-olide (3), in addition to the more polar 3,4-dihydroxy-1-oxo-5H,6,11H-eudesman-6,12-olide (4). These metabolites were characterized on the basis of their spectral data and the identity of 4 was further confirmed by chemical synthesis. PMID: 23373652 [PubMed ...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Orabi KY, El-Feraly FS, Al-Sulmy WA, Al-Yahya MA Tags: Mini Rev Med Chem Source Type: research

Structure, chemistry and pharmacology of naphthoflavones.
Abstract Naphthoflavones are synthetic flavonoids containing a conjugated phenyl group attached to A-ring of flavones. Most of their synthetic studies involved the Baker-Venkataraman rearrangement and subsequent cyclization catalyzed by acid. Based on their special structural features, these synthetic flavones exert pronounced influences on the metabolism of various endogenous and exogenous substances as well as the bioactivation of certain procarcinogens. Several mechanisms of these effects have been established, including the potent inhibition on CYP1 and aromatase, allosteric activation of CYP3A4 and/or activati...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Cui J, Li S Tags: Mini Rev Med Chem Source Type: research

The Evolution of Drugs on Schistosoma Treatment: Looking To the Past to Improve the Future.
Abstract Schistosomiasis is a devastating worldwide widespread tropical disease that currently affects more than 230 million people, making it an issue of great socioeconomic and public health importance. Unfortunatelly there is a single drug for the treatment of all forms of schistosomiasis, praziquantel, which was introduced in therapy in 1980. The article goes by Antimony compounds, emetine, hydantoin, nitrofurans, lucanthone, hiycanthone, oxamniquine derivatives and organophosphates until it finally gets topraziquantel derivatives. The intent of this review is to provide a panorama of drugs that were and are be...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Pitta MG, Pitta MG, Rêgo MJ, Galdino SL Tags: Mini Rev Med Chem Source Type: research

Recent Advances in Antischistosomal Drugs and Agents.
Abstract Schistosomiasis is a notable neglected tropical disease caused by trematodes that inflame mainly the intestines, bladder, and liver. Because of the unavailability of a schistosomiasis vaccine, control of the disease depends mainly on chemotherapy. Praziquantel (PZQ), which is active against all schistosome species and the recommended drug by the World Health Organization for schistosomiasis treatment at either the community or individual level, has become the exclusive drug because of its low cost and efficacy against the adult form of all schistosome species. In view of rapid re-infection following treatm...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Liang-Xian L, Fan CQ, Xiao-Lin Tags: Mini Rev Med Chem Source Type: research

Exploiting Protein Phosphatase Inhibitors Based on Cantharidin Analogues for Cancer Drug Discovery.
Abstract Cantharidin (CTD), a natural toxin, can inhibit a variety of tumor cell lines, especially hepatocellular carcinoma cells. It is a strong inhibitor of protein phosphatase type 1 (PP1) and type 2A (PP2A). Because of the cytotoxicity, the clinical application of CDT is limited. Here, we review the structure-activity relationships of CDT analogues, including norcantharidin (NCTD), cantharimides and related derivatives of CTDs, which have more powerful antitumor activity but less cytotoxicity than CDT itself. Important advances in the design of the CTD-based inhibitors achieved recently are outlined here in ord...
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Deng L, Dong J, Wang W Tags: Mini Rev Med Chem Source Type: research

Pyrrolo-isoxazole: A key molecule with diverse biological actions.
Abstract Several scientists have synthesized molecules with pyrrolo- isoxazole nucleus and evaluated the molecules for different biological activities. The present review discusses these different compounds with pyrrolo-isoxazole containing nucleus for their neuroprotective, anti-stress, acetylcholinesterase and anti-amnestic, antihypertensive and antibacterial activities. PMID: 23373657 [PubMed - as supplied by publisher]
Source: Mini Reviews in Medicinal Chemistry - January 31, 2013 Category: Chemistry Authors: Anand P, Singh B Tags: Mini Rev Med Chem Source Type: research

The role of glutathione S‐transferase and claudin‐1 gene polymorphisms in contact sensitization: a cross‐sectional study
Conclusions The CLDN1 polymorphisms rs9290927, rs893051 and rs17501010 were associated, respectively, with nickel contact sensitization in individuals without ear piercings, contact sensitization to fragrances, and with both organic compounds and nickel contact dermatitis. We could not find associations between GST gene polymorphisms and contact sensitization. FLG mutations did not affect the observed associations.
Source: British Journal of Dermatology - January 31, 2013 Category: Dermatology Authors: K. Ross‐Hansen, A. Linneberg, J.D. Johansen, L.‐G. Hersoug, C. Brasch‐Andersen, T. Menné, J.P. Thyssen Tags: CUTANEOUS ALLERGY Source Type: research

Genome-wide analysis uncovers high frequency, strong differential chromosomal interactions and their associated epigenetic patterns in E2-mediated gene regulation
Conclusions: The work provides insight into the effect of chromatin interaction on E2/ERalpha regulated downstream genes in breast cancer cells.
Source: BMC Genomics - Latest articles - January 31, 2013 Category: Genetics & Stem Cells Authors: Junbai WangXun LanPei-Yin HsuHang-Kai HsuKun HuangJeffrey ParvinTim HuangVictor Jin Source Type: research

New technologies in insulin delivery
Abstract The electronic age is bringing advances in the treatment of diabetes, and this is important because the complications of diabetes remain despite the availability of effective therapeutic tools such as insulin. These developments focus on the need to deliver accurately timed and sized doses for predicted blood glucose levels. In this review, blood monitoring methods are discussed since, although the chemistry remains based on the enzymic oxidation of glucose, the display, storage and manipulation of data have transformed recently to engage with smartphone users. Continuous glucose monitoring sensing (CGMS) types ar...
Source: Practical Diabetes International - January 31, 2013 Category: Endocrinology Authors: MJ Taylor, TS Sahota Tags: Review Source Type: research

Loss of ABCA1 Promotes Prostate Cancer
Recent epidemiologic data show that low serum cholesterol level as well as statin use is associated with a decreased risk of developing aggressive or advanced prostate cancer, suggesting a role for cholesterol in aggressive prostate cancer development. Intracellular cholesterol promotes prostate cancer progression as a substrate for de novo androgen synthesis and through regulation of AKT signaling. By conducting next-generation sequencing–based DNA methylome analysis, we have discovered marked hypermethylation at the promoter of the major cellular cholesterol efflux transporter, ABCA1, in LNCaP prostate cancer cells. AB...
Source: Cancer Research - January 31, 2013 Category: Cancer & Oncology Authors: Lee, B. H., Taylor, M. G., Robinet, P., Smith, J. D., Schweitzer, J., Sehayek, E., Falzarano, S. M., Magi-Galluzzi, C., Klein, E. A., Ting, A. H. Tags: Therapeutics, Targets, and Chemical Biology Source Type: research

CCR2 Deficiency and Irradiation-Induced Brain Injury
Cranial irradiation can lead to long-lasting cognitive impairments in patients receiving radiotherapy for the treatment of malignant brain tumors. Recent studies have suggested inflammation as a major contributor to these deficits; we determined if the chemokine (C–C motif) receptor 2 (CCR2) was a mediator of cognitive impairments induced by irradiation. Two-month-old male Ccr2 knockout (−/−) and wild-type mice received 10 Gy cranial irradiation or sham-treatment. One month after irradiation, bromodeoxyuridine was injected intraperitoneally for seven consecutive days to label newly generated cells. At two months post...
Source: Cancer Research - January 31, 2013 Category: Cancer & Oncology Authors: Belarbi, K., Jopson, T., Arellano, C., Fike, J. R., Rosi, S. Tags: Therapeutics, Targets, and Chemical Biology Source Type: research

PI3K Inhibition Sensitizes Trastuzumab-Resistant Cells
The antibody trastuzumab is approved for treatment of patients with HER2 (ERBB2)-overexpressing breast cancer. A significant fraction of these tumors are either intrinsically resistant or acquire resistance rendering the drug ineffective. The development of resistance has been attributed to failure of the antibody to inhibit phosphoinositide 3-kinase (PI3K), which is activated by the HER2 network. Herein, we examined the effects of PI3K blockade in trastuzumab-resistant breast cancer cell lines. Treatment with the pan-PI3K inhibitor XL147 and trastuzumab reduced proliferation and pAKT levels, triggering apoptosis of trastu...
Source: Cancer Research - January 31, 2013 Category: Cancer & Oncology Authors: Chakrabarty, A., Bhola, N. E., Sutton, C., Ghosh, R., Kuba, M. G., Dave, B., Chang, J. C., Arteaga, C. L. Tags: Therapeutics, Targets, and Chemical Biology Source Type: research

2-Hydroxy-3-methoxymethyl-5-methylbenzaldehyde
In the title molecule, C10H12O3, all non-H atoms lie in a common plane (r.m.s deviation = 0.010 Å). The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Gunasekaran, B.Jayamani, A.Sengottuvelan, N.Chakkaravarthi, G. Tags: organic compounds Source Type: research

(1S,3aS,4S,7aS)-Ethyl 1-benzyl-2-(4-methoxybenzyl)-6,7-dimethyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate dichloromethane monosolvate
In the title compound, C28H33NO4·CH2Cl2, the pyrrolidone ring adopts a twisted envelope conformation and the cyclohexene has a half-chair conformation. In the crystal, weak C—H...O hydrogen bonds link the components into chains along [100].
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Lin, B.Wu, J.-L. Tags: organic compounds Source Type: research

1-(4-{2-[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl]phenoxy}butyl)-1H-indole-3-carbaldehyde
In the title compound, C28H24ClNO3, the dihedral angles between the central benzene ring and the indole ring system and the chlorobenzene ring are 70.81 (5) and 78.62 (5)°, respectively. The molecular structure is stabilized by a weak intramolecular C—H...O interaction. In the crystal, pairs of C—H...O hydrogen bonds link the molecules into inversion dimers with an R22(14) motif.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Paramasivam, S.Purushothaman, S.Seshadri, P.R.Raghunathan, R. Tags: organic compounds Source Type: research

3β-Acetoxy-19-hydroxy-Δ5-pregnen-20-one
In the title compound, C23H34O4, the C/D and D/E rings are trans fused and the A/B ring possesses an anti fusion. The two cyclohexane rings adopt a chair conformation while the cyclohexene ring exhibits a half-chair conformation. The cyclopentane ring displays an envelope conformation with the C atom bearing the methyl group as the flap. In the crystal, the molecules are linked by O—H...O hydrogen bonds, forming chains along the b axis.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Meier zu Greffen, A.Kranz, D.P.Neudörfl, J.-M.Schmalz, H.-G. Tags: organic compounds Source Type: research

8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbonitrile
In the title compound, C17H11BrN2O2, the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl ring. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Suresh, G.Srinivasan, J.Bakthadoss, M.Aravindhan, S. Tags: organic compounds Source Type: research

Methyl 2-bromo-3-(4-chlorobenzenesulfonamido)benzoate
In the crystal structure of the title compound, C14H11BrClNO4S, the molecules form inversion dimers with R22(8) motifs through pairs of N—H...O hydrogen bonds. The benzene rings are not coplanar and subtend a dihedral angle of 66.27 (8)°. The carbomethoxy group makes a dihedral angle of 75.1 (1)° with the ring to which it is attached.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Ghafoor, A.Z.Chang, B.King, C.L.Butcher, R.J.Kulkarni, A.A. Tags: organic compounds Source Type: research

A second monoclinic polymorph of (E)-phenyl(pyridin-2-yl)methanone oxime
The title compound, C12H10N2O, a second monoclinic polymorph of (E)-phenyl(pyridin-2-yl)methanone oxime crystallizes in the space group P21/n (Z = 4). The previously reported polymorph [Taga et al. (1990). Acta Cryst. C46, 2241–2243] occurs in the space group C2/c (Z = 8). In the crystal, pairs of bifurcated O—H...(N,O) hydrogen bonds link the molecules into inversion dimers. The dimers are linked by C—H...π interactions, forming a linear arrangement. The dihedral angle between the pyridine and phenyl rings is 67.70 (8)°.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Rodríguez-Mora, M.I.Reyes-Martínez, R.Flores-Alamo, M.García, J.J.Morales-Morales, D. Tags: organic compounds Source Type: research

6-Chloro-2,4-bis(dimethylamino)-1,3,5-trimethylborazine
The borazine ring of the title molecule, C7H21B3ClN5, shows a mild distortion from a planar to a flattened boat conformation. Steric effects due to the methyl and dimethylamine substituents appear to be the cause of this distortion.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Rodriguez, M.A.Borek, T.T. Tags: organic compounds Source Type: research

2-[3-(Naphthalen-2-yl)phenyl]naphthaleneCAS 103068–17–3.
The title compound, C26H18, consists of a benzene ring with meta-substituted 2-naphthalene substituents, which are essentially planar [r.m.s. deviations = 0.022 (1) and 0.003 (1) Å]. The conformation is syn, with equivalent torsion angles about the benzene–naphthalene bonds of −36.04 (13) and +34.14 (13)°. The molecule has quasi-Cs molecular symmetry.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Wolfenden, M.L.Dhar, R.K.Fronczek, F.R.Watkins, S.F. Tags: organic compounds Source Type: research

1-[3-(Naphthalen-1-yl)phenyl]naphthaleneCAS 103068–16–2.
The title compound, C26H18, consists of a benzene ring with meta-substituted 1-naphthalene substituents, which are essentially planar (r.m.s. deviation = 0.039 and 0.027 Å). The conformation is mixed syn/anti, with equivalent torsion angles about the benzene–naphthalene bonds of 121.46 (11) and 51.58 (14)°.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Tummala, M.Dhar, R.K.Fronczek, F.R.Watkins, S.F. Tags: organic compounds Source Type: research

1,3-Bis[(tert-butylsulfanyl)methyl]-2,4,6-trimethylbenzene
The complete molecule of the title compound, C19H32S2, is generated by crystallorgaphic twofold symmetry, with three C atoms lying on the axis. The Car—C—S—C (ar = aromatic) torsion angle is 156.2 (2) °. In the crystal, the molecules are linked by very weak C—H...S interactions, generating [001] chains.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Paz-Morales, E.Basauri-Molina, M.Germán-Acacio, J.M.Reyes-Martínez, R.Morales-Morales, D. Tags: organic compounds Source Type: research

Phenyl acridine-9-carboxylate
The acridine ring system and the benzene ring in the title compound, C20H13NO2, are oriented at a dihedral angle of 6.4 (2)°. The carboxyl group is twisted at an angle of 83.6 (2)° relative to the acridine skeleton. The molecules in the crystal are arranged in stacks along the b axis, with two of the acridine rings involved in multiple π–π interactions [centroid–centroid distances in the range 3.536 (2)–3.894 (2) Å]. Stacks arranged parallel are linked via C—H...π interactions, forming layers in the ac plane that are in contact with adjacent, inversely oriented layers via other C—H...π interactio...
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Wera, M.Trzybiński, D.Krzymiński, K.Błażejowski, J. Tags: organic compounds Source Type: research

3-{5-Ethoxycarbonyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazol-2-yl}benzoic acid
In the title compound, C24H25N3O5, the ethoxy group is disordered over two orientations in a 0.853 (14):0.147 (14) ratio. The benzimadazole ring system (r.m.s. deviation = 0.016 Å) makes a dihedral angle of 35.47 (7)° with the attached benzene ring. The pyrrolidine ring adopts an envelope conformation with a methylene C atom as the flap. In the crystal, inversion dimers linked by pairs of O—H...N hydrogen bonds generate R22(16) loops. C—H...O interactions link the dimers into a three-dimensional network.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Yoon, Y.K.Ali, M.A.Tan, S.C.Rosli, M.M.Razak, I.A. Tags: organic compounds Source Type: research

Acetonyltriphenylphosphonium nitrate
Crystals of the title salt, C21H20OP+·NO3−, are composed of acetonyltriphenylphosphonium cations and nitrate anions that mainly interact through electrostatic forces. The P atom in the cation has a slightly distorted tetrahedral environment, with C—P—C angles ranging from 104.79 (7) to 112.59 (6)°. The sum of O—N—O angles of the nitrate anion is 359.99°, reflecting its trigonal–planar character. C—H...O hydrogen bonds help to consolidate the crystal packing.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Diop, T.Diop, L.Kučeráková, M.Dušek, M. Tags: organic compounds Source Type: research

Desoxyhemigossypol 6-methyl ether
The title sesquiterpene [systematic name: 6-methoxy-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-ol], C16H18O3, was isolated from pathogen-infected stele tissue of Gossypium barbadense. There are two molecules in the asymmetric unit and the dihedral angle between their naphthofuran systems is 86.48 (2)°. In the crystal, O—H...O hydrogen bonds between the hydroxy groups and etheric O atoms link the molecules into centrosymmetric tetramers. These tetramers are assembled into (010) layers via stacking interactions between the naphthofuran systems [interplanar distance 3.473 (3)...
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Uzbekov, V.V.Talipov, S.A.Ibragimov, B.T.Stipanovic, R.D.Liu, J. Tags: organic compounds Source Type: research

Bis(acetylacetonato-κ2O,O′)bis(pyridine-κN)nickel(II) dihydrate
The title compound, [Ni(C5H7O2)2(C5H5N)2]·2H2O, crystallizes with two half-molecules in the asymmetric unit. The NiII ion of each unique complex molecule lies on an inversion centre and has an octahedral coordination geometry. The crystal structure features weak O—H...O hydrogen bonds, which form chains running parallel to the a axis.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Boutebdja, M.Beghidja, A.Beghidja, C. Tags: metal-organic compounds Source Type: research

Bis(3-aminopyrazine-2-carboxylato-κ2N1,O)diaquacobalt(II)
In the title compound, [Co(C5H4N3O2)2(H2O)2], the CoII atom is situated on a twofold rotation axis and is N,O-chelated by two 3-aminopyrazine-2-carboxylate anions and additionally bonded to the O atoms of two water molecules, leading to a slightly distorted octahedral coordination environment. The crystal packing is dominated by intermolecular O—H...O, O—H...N and N—H...O hydrogen bonding involving the water molecules and amino groups as donors and carboxylate O atoms, as well as the non-coordinating heterocyclic N atoms as acceptors, resulting in a three-dimensional network. An intramolecular N—H...O hydrogen bond is also observed.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Bouchene, R.Bouacida, S.Berrah, F.Belhouas, R.Merazig, H. Tags: metal-organic compounds Source Type: research

Bis(2-amino-4-methylpyrimidin-1-ium) hexaaquacobalt(II) disulfate dihydrate
In the title hydrated mixed-cation salt, (C5H8N3)2[Co(H2O)6](SO4)2·2H2O, the complete octahedral hexaaqua complex cation is generated by crystallographic inversion symmetry. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R22(8) loops. These, together with π–π interactions between centrosymmetrically related pyrimidinium cations [centroid–centroid separation = 3.5460 (8) Å], lead to the formation of a three-dimensional network.
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Mirzaei, M.Eshtiagh-Hosseini, H.Zarghami, S.Karrabi, Z.Saeedi, M.Mague, J.T. Tags: metal-organic compounds Source Type: research

Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate
In the title compound, [Zn(C14H17N5O3)(C9H4O6)(H2O)2]·H2O, the complex molecule exists in a zwitterionic form. The ZnII ion exhibits a distorted tetragonal-pyramidal geometry, being coordinated by two O atoms from the zwitterionic 8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (L) ligand, one O atom from the 5-carboxybenzene-1,3-dicarboxylate dianion, [Hbtc]2−, and two O atoms from two aqua ligands. In the crystal, N—H...O and O—H...O hydrogen bonds link the components into a three-dimensional structure. The crystal packing exhibits π–π interactions between the aromatic r...
Source: Acta Crystallographica Section E - January 31, 2013 Category: Chemistry Authors: Ye, Z.-L.Xin, G.-H.Zhang, F.-T.Xiao, D.-R. Tags: metal-organic compounds Source Type: research