S-(2-aminoethyl) isothiouronium bromide (ITU)

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(S,S) N,N′ Bis(1 carb­­oxy 2 methyl­prop­yl)ethyl­enedi­ammonium dihalide cyclo­penta­nol tetra­solvate (halide = bromide/chloride ≃ 1:12)

(S,S) N,N′ Bis(1 carb­­oxy 2 methyl­prop­yl)ethyl­enedi­ammonium dihalide cyclo­penta­nol tetra­solvate (halide = bromide/chloride ≃ 1:12)

(S,S)-ethylenediammonium-N,N′-di-2-(3-methyl)-butanoic acid dihalide is obtained as earlier described in literature (Schoenberg et al.,1968), by combining the solutions of L-valine and 1,2-dibromoethane. The title compound is obtained unintentionally. The goal was to synthesize a dicyclopentyl ester of (S,S)-ethylenediammonium-N,N′-di-2-(3-methyl)- butanoic acid dichloride. Thionyl chloride (4.0 ml, 55 mmol) was introduced into a flask containing cyclopentanol (50 ml, anhydrous conditions) over 1 h. After that (S,S)-ethylenediammonium-N,N′-di-2-(3-methyl)-butanoic acid dihalide (calculated for X=Cl: 2.0 g, 6.00 mmol) was added to the flask and the suspension was refluxed 16 h. The mixture was filtered off and the filtrate was left for a few days at 4 °C yielding crystals suitable for X-ray measurements.
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(3RS) S [1 (3 Chloro­phen­yl) 2 oxopyr­roli­din 3 yl]thio­uronium bromide

(3RS) S [1 (3 Chloro­phen­yl) 2 oxopyr­roli­din 3 yl]thio­uronium bromide

In our previous papers (Sedlák et al., 2002, 2003; Hanusek et al., 2004) we have reported that substituted S-(1-phenyl- pyrrolidin-2-on-3-yl)isothiuronium salts undergo an intramolecular recyclization reaction in a weak basic medium. During this reaction the γ-lactam cycle is split while a thiazolidine cycle, i.e. a substituted 2-imino-5-[2-(phenylamino)- ethyl]thiazolidin-4-one, is formed.

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(3RS) S [1 (3 Chloro­phen­yl) 2 oxopyr­rolidin 3 yl] N,N′ di­methyl­thio­uronium bromide

(3RS) S [1 (3 Chloro­phen­yl) 2 oxopyr­rolidin 3 yl] N,N′ di­methyl­thio­uronium bromide

Data collection: COLLECT (Hooft, 1998) and DENZO (Otwi- nowski and Minor, 1997); cell refinement: COLLECT and DENZO; data reduction: COLLECT and DENZO; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

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A triclinic polymorph of (−) (S) N benzyl 2 [(R) 6 fluoro­chroman 2 yl] 2 hy­dr­oxy­ethanaminium bromide

A triclinic polymorph of (−) (S) N benzyl 2 [(R) 6 fluoro­chroman 2 yl] 2 hy­dr­oxy­ethanaminium bromide

2-chloro-1-(6-fluoro-chroman-2-yl)-1-ethanol were prepared as enantiopure products in order to obtain the 2-benzyl- amino-1-(6-fluoro-chroman-2-yl)-1-ethanol by addition of benzylamine (Jas et al. (2011)). A subsequent addition of (R)-2-chloro-1-((S)-6-fluoro-chroman-2-yl)-1-ethanol would then be used to yield the corresponding protected nebivolol. The crude 2-benzylamino-1-(6-fluoro-chroman-2-yl)-1-ethanol was then recrystallized at 60°C in a mixture of ethanol and aqueous hydrobromic acid.

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Synthesis, antimicrobial, and anti-inflammatory activity, of novel <em>S</em>-substituted and <em>N</em>-substituted 5-(1-adamantyl)-1,2,4-triazole-3-thiols

Synthesis, antimicrobial, and anti-inflammatory activity, of novel <em>S</em>-substituted and <em>N</em>-substituted 5-(1-adamantyl)-1,2,4-triazole-3-thiols

Abstract: The reaction of 5-(1-adamantyl)-4-phenyl-1,2,4-triazoline-3-thione (compound 5) with formaldehyde and 1-substituted piperazines yielded the corresponding N-Mannich bases 6a–f. The reaction of 5-(1-adamantyl)-4-methyl-1,2,4-triazoline-3-thione 8 with various 2-aminoethyl chloride yielded separable mixtures of the S-(2-aminoethyl) 9a–d and the N-(2- aminoethyl) 10a–d derivatives. The reaction of compound 5 with 1-bromo-2-methoxyethane, various aryl methyl halides, and ethyl bromoacetate solely yielded the S-substituted products 11, 12a–d, and 13. The new compounds were tested for activity against a panel of Gram-positive and Gram-negative bacteria and the pathogenic fungus Candida albicans. Compounds 6b, 6c, 6d, 6e, 6f, 10b, 10c, 10d, 12c, 12d, 12e, 13, and 14 displayed potent antibacterial activity. Meanwhile, compounds 13 and 14 produced good dose-dependent anti-inflammatory activity against carrageenan-induced paw edema in rats.
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Crystal structure of bis­­{(S) 1 [2 (di­phenyl­phosphan­yl)ferrocen­yl] (R) eth­yl}ammonium bromide di­chloro­methane monosolvate

Crystal structure of bis­­{(S) 1 [2 (di­phenyl­phosphan­yl)ferrocen­yl] (R) eth­yl}ammonium bromide di­chloro­methane monosolvate

lengths in the ferrocene units are Fe—C = 2.049 (3) A ˚ and C—C = 1.422 (4) A˚ within the cyclopentadienyl rings. The mean C—N bond length is 1.523 (4) A ˚ . The interplanar angle between the two connected cyclopentadienyl rings is 49.2 (2) . One ferrocene moiety adopts a staggered conformation, whereas the

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2 Amino 6 bromo­pyridinium bromide

2 Amino 6 bromo­pyridinium bromide

Data collection: AFC-7 Diffractometer Control Software (Molec- ular Structure Corporation/Rigaku, 1997); cell re®nement: AFC-7 Diffractometer Control Software; data reduction: TEXSAN (Molec- ular Structure Corporation/Rigaku, 1997); program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to re®ne structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

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N (2 Bromo­benz­yl)cinchoninium bromide

N (2 Bromo­benz­yl)cinchoninium bromide

Geometry . All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.

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A C=O•••isothiouronium interaction dictates enantiodiscrimination in acylative kinetic resolution of tertiary heterocyclic alcohols

A C=O•••isothiouronium interaction dictates enantiodiscrimination in acylative kinetic resolution of tertiary heterocyclic alcohols

In this context, this work investigates such cases through the isothiourea-catalyzed acylative KR of tertiary alcohols (Scheme 2a). The efficient KR (s > 20) of tertiary alcohols is particularly challenging as: 1) they are difficult to acylate due to their hindered nature; and 2) the catalyst must distinguish between three substituents at the reactive carbinol center. The presence of multiple recognition motifs (e.g. aryl and carbonyl) provides an additional challenge, as the acylation of both substrate enantiomers may be promoted by different carbinol substituents, resulting in poor selectivity (Scheme 2b).
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Modeling Of Solar Absorption Air Conditioning System Applied To An Office Building In Morocco.

Modeling Of Solar Absorption Air Conditioning System Applied To An Office Building In Morocco.

This study was the subject of a modeling of a water-bromide lithium bromide absorption machine, which allowed us to choose the optimal operating parameters that will serve as the basic data for the rest of our thesis.Regarding the performance of the machine, which is influenced by the evaporation temperature of the refrigerant, we carried out a comparative study of two chilled water temperature regimes in order to quantify the gain that could be generated by changing the regime used in the existing installation. The conclusion was that any increase in the temperature of the chilled water regime would only be beneficial to the machine's performance. Indeed, the use of the 12-16 °C instead of 7-12 °C regime will result in an increase in the COP of the machine for the same cooling capacity of about 10%, which leads to a decrease in the energy required at the generator level and therefore in the collector surface area.
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2 [(2,6 Diiso­propyl­phenyl)­iminio]­propyl bromide

2 [(2,6 Diiso­propyl­phenyl)­iminio]­propyl bromide

Data collection: X-AREA (Stoe & Cie, 2001); cell re®nement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to re®ne structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: SHELXL97.

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2 Amino 4 phenyl­selenazolium bromide monohydrate

2 Amino 4 phenyl­selenazolium bromide monohydrate

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refine- ment: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/ MSC, 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: CRYSTALS (Better- idge et al., 2003); molecular graphics: ORTEP3 for Windows (Farrugia, 1997); software used to prepare material for publication: CrystalStructure.

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Crystal structure of N,N′ bis­[2 ((benzyl){[5 (di­methyl­amino)naph­tha­len 1 yl]sulfonyl}amino)ethyl]naphthalene 1,8:4,5 tetracarboximide 1,2 di­chloro­benzene tris­­olvate

Crystal structure of N,N′ bis­[2 ((benzyl){[5 (di­methyl­amino)naph­tha­len 1 yl]sulfonyl}amino)ethyl]naphthalene 1,8:4,5 tetracarboximide 1,2 di­chloro­benzene tris­­olvate

Koshkakaryan, G., Klivansky, L. M., Cao, D., Snauko, M., Teat, S. J., Struppe, J. O. & Liu, Y. (2009). J. Am. Chem. Soc. 131, 2078–2079. Landey-A ´ lvarez, M. A., Ochoa-Tera´n, A., Pina-Luis, G., Martı´nez- Quiroz, M., Aguilar-Martı´nez, M., Elı´as-Garcı´a, J., Miranda-Soto, V., Ramı´rez, J.-Z., Machi-Lara, L., Labastida-Galva´n, V. & Ordon˜ez, M. (2016). Supramol. Chem. pp. 1–15.

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2 Thio­cytosinium bromide

2 Thio­cytosinium bromide

Br , has two 2-thiocytosinium cations and two Br anions in the asymmetric unit and is isostructural with 2-thiocytosinium chloride. Both six-membered rings are essentially planar. S atoms and Br anions serve as hydrogen-bond acceptors, forming sheets parallel to (101).

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Importance of halide involving interactions at Hoogsteen sites in supramolecular architectures of some coordination metal complexes of N6-benzyl/furfuryl adenine

Importance of halide involving interactions at Hoogsteen sites in supramolecular architectures of some coordination metal complexes of N6-benzyl/furfuryl adenine

A lattice halide ion bridges N6-H and N7-H (Hoogsteen site hydrogens) [32,33] via. N-H…X hydrogen bonds [shown schematically in Scheme 1c] which lead to a chain like pattern in the crystals (1-4). A centrosymmetric base pair is formed due to the pairing of N3 and N9-H hydro- gen bonds in (5) (Scheme 1d). Coordination spheres are arranged as a ladder by the coordinated chloride ion and water in structures (1-3) (only Co1 of 3). Ladders of (1-3) have a similar type of hydrogen bonds and atomic ar- rangements. There is no such ladder type pattern observed in Co2 and Co3 cobalt centers of (3) due to the absence of water molecule in the coordination sphere. An intra mo- lecular S(6) ring motif is formed by N3 hydrogens with the halide ions in all the crystal structures.
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Original Article Induction of aortic dissection in rats using n-(2-aminoethyl) ethanolamine

Original Article Induction of aortic dissection in rats using n-(2-aminoethyl) ethanolamine

Abstract: This study aimed to establish a stable animal model of aortic dissection and explore the pathogenesis of aortic dissection. Fifteen pregnant (8 weeks) rats were divided into three groups. The rats in the two experimental group received different doses of n-(2-aminoethyl) ethanolamine (AEEA) (100 mg/kg, n = 5; 150 mg/kg, n = 5) daily by intragastric gavage on gestation days 14-20. The rats in the control group received the same dose of normal saline. On the first day of birth, all the surviving newborns from the groups were sacrificed for dissection of aortic vessels, pathological analysis, and immunohistochemistry. It’s found that 4 of 43 cubs in the 100 mg/kg AEEA group showed dilatation of the ascending aortic wall, hematoma formation, but no significant endometrial rupture or blood in the media. In the 150 mg/kg dose group, aortic dilatation, tortuosity, intravascular thrombosis and typi- cal intimal rupture were observed and the rate of aortic dissection was 100%. The aortic walls of the control group were smooth and complete, and no aortic dissection was found. Furthermore, compared with the control group, the deficient, broken and disor dered elastic fibers were observed in the walls of the aortic vessels in the experimental group, in addition to the reduced amount of collagen I and collagen III. In conclusion, AEEA administered to pregnant rats induced aortic dissection in pups, which may be related to the breakage and separation of elastic fibers and the reduction of collagen fibers.
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Straightforward thiol-mediated protein labelling with DTPA: Synthesis of a highly active 111In-annexin A5-DTPA tracer

Straightforward thiol-mediated protein labelling with DTPA: Synthesis of a highly active 111In-annexin A5-DTPA tracer

incubated with increasing concentrations of competitors: active anxA5-DTPA 6, inactive M1234-anxA5-DTPA and wildtype anxA5. Camptothecin-treated cells resuspended in 500 μl binding buffer (50,000 in experiments 1 and 3 and 20,000 for experiment 2) were used for each sample. After adding anxA5-FITC (a fluorescent anxA5 derivative), its binding to apoptotic cells was established from the me- dian values of FITC fluorescence intensity in the form of the highest peaks measured by flow cytometry as described. The ability to replace anxA5-FITC on apoptotic Jurkat T cells by active anxA5-DTPA, wildtype anxA5 or in- active M1234-anxA5-DTPA was analysed by flow cytome- try (FACS Calibur cytometer, Becton Dickinson GmbH, Heidelberg, Germany) according to the manufacturer's instructions. The data were fitted to dose–response curves with variable slope (Figure 1) to obtain IC50 values as evi- dence of displacement and the correlation coefficient using Prism 5 (GraphPad Software, Inc., San Diego, CA, USA).
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Scandium(III) oxide bromide, ScOBr

Scandium(III) oxide bromide, ScOBr

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97.

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Corrosion Inhibition of Steel in HCl by 2-Aminoethyl diphenylborinate

Corrosion Inhibition of Steel in HCl by 2-Aminoethyl diphenylborinate

dimensions having composition (0.179% C, 0.165% Si, 0.439% Mn, 0.203% Cu, 0.034% S and Fe balance) are used for weight loss measurements. Prior to all measurements, the exposed area was mechanically abraded with 180, 320, 800 grades of emery papers. The specimens are washed thoroughly with bidistilled water, degreased and dried with ethanol. Gravimetric measurements are carried out in a double walled glass cell equipped with a thermostated cooling condenser. The solution volume is 80 cm 3 . The immersion time for the weight loss is 8 h at 298 K.

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An Analysis of the Business Accelerator Programs in Turkey

An Analysis of the Business Accelerator Programs in Turkey

All accelerator programs organize entrepreneurial events. Some of these programs organize open events for everyone, while others organize events only for entrepreneurs they include in their programs. For instance; while IOT Telco Labs and Pilot programs only organize events for entrepreneurs who are accepted into the program, Kworks is a very active hub for entrepreneurial events. Kworks organizes an average of 20-25 events per month and they are also quite varied. Some of these such as trainings, seminars, entrepreneurship meetings, workshops, etc. are open to everyone but some are specific to entrepreneurs participating in the program only. In addition, some of the events that are open to the public are also paid. Kworks sends a weekly e-mail newsletter to anyone who is a member of their email list to announce the activities it organizes. Starter's Hub focuses on investor-oriented events. The program, which organizes investor trainings every few months, also organizes paid events for corporations. The program generates income with these activities. Similarly, SuCool organizes paid events for corporate companies to generate income. In addition, the program organizes events for entrepreneurs such as trainings, seminars, entrepreneurship meetings, workshops and so on. ITU Seed organizes a wide range of events for entrepreneurs similar to Kworks and SuCool programs. ITU Seed, which organizes six or seven events on average per month, does not charge any fees for these events.
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