- Solubility of 3,3′-(Oxidi-2,1-ethanediyl)bis[1-methyl-imidazolium] Dihexafluorophosphate in Water, Methanol, Ethanol, Acetone, and Acetonitrile and Binary Mixtures (Water + DMF) from (283.00 to 323.00) K
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3,3′-(Oxidi-2,1-ethanediyl)bis[1-methyl-imidazolium] dihexafluorophosphate ([C4O(mim)2][PF6]2) was synthesized and confirmed with 1H NMR and FT-IR. The thermal stability of [C4O(mim)2][PF6]2 was studied with differential scanning calorimetry and thermogravimetric analyses. Using the dynamic method, the solubility of [C4O(mim)2][PF6]2 in five different pure solvents (water, methanol, ethanol, acetone, and acetonitrile) and binary mixtures (water + DMF) was measured at the temperature range from (283.00 to 323.00 K) at atmospheric pressure. The solubility of [C4O(mim)2][PF6]2 in those selected solvents increased with increasing temperature and DMF contents, but the rate of solubility is different. The experimental data were correlated with the modified Apelblat equation. Also, the solubility of [C4O(mim)2][PF6]2 and [C6O2(mim)2][PF6]2 was been compared in the same solvent. (Graphical Presented).
- Guo, Jia-Rong,Xu, Bin,Wang, Yan,Zhuang, Ling-Hua,Wang, Guo-Wei
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Read Online
- Synthesis of new heterocyclic dehydroabietylamine derivatives and their biological activity
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(figure presented) New derivatives of dehydroabietylamine were obtained by transformation of primary amino group to pyrrolidine, piperidine, azepane, morpholine, isoindoline, and pyrrole heterocycles. The obtained compounds were tested for antiviral activity against influenza A/California/07/09 (H1N1)pdm09 strain, as well as the activity against some types of bacteria and fungi.
- Kovaleva, Kseniya S.,Yarovaya, Olga I.,Shernyukov, Andrey V.,Zarubaev, Vladimir V.,Shtro, Anna A.,Orshanskaya, Yana R.,Salakhutdinov, Nariman F.
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Read Online
- COMPOUND, DECORATIVE MATERIAL, DECORATED ARTICLE, AND INK COMPOSITION
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To provide a compound exhibiting golden glossiness and providing a film having flexibility.SOLUTION: There is provided a compound represented by the formula (1). Rand Rare each independently a substituted or unsubstituted C1 to 12 alkyl group, -(CH)-COO-R, -(CH)-O-R, -(CH)-CONH-R, -(CH)-CONH-(CH)-OH or the like; Rto Rare each independently a C1 to 6 alkyl group; nis an integer of 2 to 10; and mto mare integer of 1 to 6.SELECTED DRAWING: None
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Paragraph 0105; 0114-0116; 0130-0132
(2020/03/27)
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- Compound, conjugate, kit, and application of kit in detection of estradiol
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The invention discloses a compound, a conjugate, a kit for detecting estradiol, and an application of the kit for detecting the estradiol in detection of the estradiol. The compound has a structure shown as a formula (1), wherein the L represents a connecting arm, the R, R, R and R are respectively independently a hydrogen group, a hydroxyl group, an alkyl of C, an alkoxy of C, an alkenyl of C or an alkynyl of C. The compound disclosed by the invention can be used for accurately detecting estradiol.
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Paragraph 0096; 0103; 0104
(2018/03/26)
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- Double (2-haloethyl) ether synthesis method
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The invention relates to the synthesis of fine chemical intermediates, in particular to a synthesis method of di(2-halogenated ethyl) ether. According to the synthesis method, 1,4-thioxane-1,1-dioxo and a hydrogen halide water solution react with each other to obtain the target product, namely di(2-halogenated ethyl) ether. The synthesis method is simple and convenient in technical route, good in selectivity, high in yield, less in pollution and simple in post-processing, conforms to the tendency of the green chemical industry nowadays, and has great industrial value.
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Paragraph 0032-0033
(2017/02/24)
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- A delocalizable cationic headgroup together with an oligo-oxyethylene spacer in gemini cationic lipids improves their biological activity as vectors of plasmid DNA
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Lipoplex nano-aggregates constituted of plasmid DNA (pDNA) pEGFP-C3 and mixed cationic liposomes, consisting of several percentages of a gemini cationic lipid (GCL) of the 1,2-bis(hexadecyl imidazolium) oxyethylene series, referred to as (C16Im)2(C2O)n, with oxyethylene spacers (n = 1, 2 or 3) between the imidazolium cationic groups and the DOPE zwitterionic helper lipid, have been characterized by various biophysical and biological approaches carried out at several GCL compositions (α), and either the mass or the effective charge ratio of the lipoplex. The electrochemical study by ζ-potential confirms that the three GCLs yield a 10% lower effective charge than the nominal one, while compacted pDNA yields only a 25% effective negative charge. The SAXS study reveals, irrespective of the spacer length (n) and effective charge ratio (ρeff), the presence of two lamellar structures, i.e., one (Lα,main) in the whole GCL composition and another (Lα,DOPE,rich) with higher periodicity values that coexists with the previous one at low GCL composition (α = 0.2). The cryo-TEM analysis shows two types of multilamellar structures consisting of cationic lipidic bilayers with pDNA sandwiched between them: a cluster-type (C-type) at low α = 0.2 and a fingerprint-type (FP-type) at α ≥ 0.5, both with similar interlamellar spacing (d) in agreement with the Lα,main structure determined by SAXS. Transfection efficacies (TEs) of each lipid mixture were determined in four different cell lines (HEK293T, HeLa, Caco-2 and A549) at several α and ρeff values in the absence and presence of serum (FBS). The optimized formulations (α = 0.2 and ρeff = 2.0) substantially transfect cells much better than a commercial transfection reagent, Lipofectamine 2000 and previously studied efficient lipoplexes containing other cationic head groups or spacers both in the absence and presence of serum. The activity of optimized formulations may be attributed to the combination of several factors, such as: (a) the fusogenic character of DOPE which results in higher fluidity of the lipoplexes at α = 0.2, (b) the coexistence of two lamellar structures at α = 0.2 that synergizes the TE of these lipid vectors, and mainly (c) the higher biocompatibility of the GCLs reported in this work due to the presence of two imidazolium cationic groups together with an oligo-oxyethylene spacer. The length of the spacer in the GCL seems to have less impact, although (C16Im)2(C2O)n/DOPE-pDNA lipoplexes with n = 1 and 3 show higher gene transfection than n = 2. All the optimum formulations reported herein are all highly efficient with negligible levels of toxicity, and thus, may be considered as very promising gene vectors for in vivo applications. This journal is
- Kumar, Krishan,Barrn-Berdn, Ana L.,Datta, Sougata,Muoz-beda, Mnica,Aicart-Ramos, Clara,Kondaiah, Paturu,Junquera, Elena,Bhattacharya, Santanu,Aicart, Emilio
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p. 1495 - 1506
(2015/03/04)
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- Cationic gemini lipids containing polyoxyethylene spacers as improved transfecting agents of plasmid DNA in cancer cells
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Lipoplex nano-aggregates have been analyzed through biophysical characterization (electrostatics, structure, size and morphology), and biological studies (transfection efficiency and cell viability) in five cancer cell lines. Lipoplexes were prepared from pEGFP-C3 plasmid DNA (pDNA) and mixed liposomes, constituted by a zwitterionic lipid (DOPE) and a gemini cationic lipid (GCL) synthesized in this work, [bis(hexadecyl dimethyl ammonium) oxyethylene], referred to as (C16Am)2(C2O) n, (where n is the oxyethylene spacer length, n = 1, 2 or 3, between the ammonium heads). Cryo-TEM micrographs show nano-aggregates with two multilamellar structures, a cluster-type (at low-to-medium GCL composition) and a fingerprint-type that coexists with the cluster-type at medium GCL composition and appears alone at high GCL composition. SAXS diffractograms show that these lipoplexes present three lamellar structures, two of them coexisting at low and high GCL composition. The optimized transfection efficiency (TE) of pDNA was higher for lipoplexes containing GCLs with a longer (n = 3) or shorter (n = 1) polyoxyethylene spacer, at high GCL composition (α = 0.7) with low charge ratio (ρeff = 2). In the all cancer cell lines studied, the TE of the optimized formulations was much better than those of both lipofectamine 2000 and lipoplexes with GCLs of the bis(hexadecyl dimethyl ammonium) alkane series recently reported. Probably, (a) the coexistence of two lamellar structures at high GCL composition synergizes the TE of these lipid vectors, (b) the orientation of the polyoxyethylene region in (C16Am) 2(C2O)3/DOPE may occur in such a way that the spacing between two cationic heads becomes smaller than that in (C 16Am)2(C2O)2/DOPE which is poor in terms of TE, and (c) the synergistic interactions between serum proteins and (C16Am)2(C2O)n/DOPE-pDNA lipoplexes containing a polyoxyethylene spacer improve TE, especially at high GCL content. Lipoplexes studied here show very low levels of toxicity, which confirm them as improved vectors of pDNA in gene therapy.
- Barran-Berdon, Ana L.,Misra, Santosh K.,Datta, Sougata,Munoz-Ubeda, Monica,Kondaiah, Paturu,Junquera, Elena,Bhattacharya, Santanu,Aicart, Emilio
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supporting information
p. 4640 - 4652
(2014/07/21)
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- Determination of micellar aggregation numbers of gemini surfactant in aqueous solution by steady-state fluorescence quenching method
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A new kind of Gemini surfactant synthesized from the intermediate 1-bromo-2-(2-bromoethoxy)ethane and dodecyl dimethyl amine by using isopropanol as solvent. The critical micellar concentration (CMC) value of Gemini 12-Y-12 determined by Steady-state fluorescence quenching (SSFQ) method is basically in agreement with the value by surface tension method. The micellar aggregation numbers (Nagg) of this surfantant are essentially constant when the concentrations of the quencher were selected in 2.0 × 10-4-5.0 × 10-4 mol L-1. The Nagg of the Gemini surfactant increases linearly with the increase of surfactant concentration in the range of 4-9 times of critical micellar concentration and critical micellar aggregation numbers obtained by extrapolation method is 13.2.
- Jie, Ni Ren,Ling, Wang Ya,Yu, Huang,Cheng, Yao
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experimental part
p. 5011 - 5014
(2012/10/08)
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- Spectroscopic studies of the interaction between methyl orange and gemini surfactant
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The influence of two kinds of cationic surfactants on spectral properties of methyl orange in aqueous solutions has been investigated by means of UV-vis spectroscopy in various pH values and concentration range. For the Gemini14-methyl orange (MO) solutions, a hyperchromic shift was observed from 509-403 nm with the decrease of spectra absorption by increasing the pH values. Spectral behaviour of dye-surfactant solutions with varying concentrations of surfactants confirmed that electrostatic hydrophobic interactions between dye and surfactant played an important role. An H-type aggregation appeared in the concentration ratio 1:2 for Gemini14 and methyl orange, but in the CTAB solutions, the ratio was 1:1. The initial decrease of the absorbance resulted from dye-surfactant complex formation. It can be concluded that the amount of the cationic groups plays an important role in the complex formation.
- Jia,Gong,Ni,Su,Yao
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scheme or table
p. 729 - 732
(2012/01/02)
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- A mild synthesis of unsymmetrical bisalkoxysilanes through catalyzed alcoholysis of hydridosilanes containing C-C multiple bonds and aryl halides
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(Chemical Equation Presented) The synthesis of unsymmetrical bisalkoxysilanes containing unsaturated C-C bonds and alkyl and aryl bromides has been developed. This method is a modification of our previously reported two-step procedure that utilizes readily available catalysts (rhodium acetate dimer and manganese pentacarbonyl bromide) under mild neutral aprotic conditions. Good to moderate yields of the products were obtained in a short period. In this two-step synthesis, unsymmetrical bisalkoxysilanes with groups that can be further functionalized can be prepared effectively without the need to isolate the intermediates. 2009 American Chemical Society.
- Scott, Colleen N.,Wilcox, Craig S.
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experimental part
p. 253 - 256
(2010/04/06)
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- Synthesis of unique 17β-estradiol homo-dimers, estrogen receptors binding affinity evaluation and cytocidal activity on breast, intestinal and skin cancer cell lines
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A rapid and efficient synthesis of a series of C2-symmetric 17β-estradiol homo-dimers is described. The new molecules are linked at position 17α of the steroid nucleus with either an alkyl chain or a polyethylene glycol chain. They are made from estrone in only five chemical steps with an overall yield exceeding 30%. The biological activity of these compounds was evaluated in vitro on estrogen dependent and independent (ER+ and ER-) human breast tumor cell lines: MCF-7 and MDA-MB-231. Some of the dimers present selective cytotoxic activity against the ER+ cell line. However, they are not very cytotoxic when compared to the antiestrogen tamoxifen. Unfortunately, they show only weak affinity for the estrogen receptor alpha (ERα) and no affinity for the estrogen receptor beta (ERβ). The new compounds were also tested on human intestinal (HT-29) cancer and on murine skin cancer (B16-F10) cell lines for further biological assessment. Interestingly, the dimers were found to be cytotoxic to the murine skin cancer cell line but were inactive towards the intestinal cancer cell line.
- Bérubé, Gervais,Rabouin, Daniel,Perron, Valérie,N'Zemba, Blaise,Gaudreault, René-C.,Parent, Sophie,Asselin, éric
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p. 911 - 921
(2007/10/03)
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- Estrogen-linked platinum (II) complexes as anticancer agents
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wherein n may be 1, 2, 3, 4 or 5 when X is O, wherein n may be 2/3, 1, 4/3, 5/3, 2, 7/3, 8/3, 3, or 10/3 when X is C, wherein o may be 1, 2 or 3, wherein Y may be O or 17β-OH, wherein R1 may be selected from the group consisting of H, a straight alkyl group of 1 to 5 carbon atoms, a branched alkyl group of 3 to 5 carbon atoms, wherein R2 may be selected for the group consisting of H, a straight alkyl group of 1 to 4 carbon atoms, a branched alkyl group of 3 or 4 carbon atoms, F, Cl, Br, I, —CF3, —NO2, —OR1, —COR1 and —CH2OH. These compounds possess anticancer activity against hormono-dependent breast, uterus as well as ovarian cancer.
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Page/Page column 6-7
(2008/06/13)
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- A facile synthesis of C2-symmetric 17β-estradiol dimers
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A rapid and efficient synthesis of a series of C2-symmetric 17β-estradiol dimers is described. The new molecules are linked at position 17α of the steroid nucleus with either an alkyl chain or a polyethylene glycol chain. They are made from estrone in five chemical steps with an overall yield exceeding 30%. The biological activity of these compounds was evaluated in vitro on estrogen dependent and independent (ER+ and ER-) human breast tumor cell lines: MCF-7 and MDA-MB-231. Some of the dimers present selective cytotoxic activity against the ER+ cell line.
- Rabouin, Daniel,Perron, Valerie,N'Zemba, Blaise,C.-Gaudreault, Rene,Berube, Gervais
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p. 557 - 560
(2007/10/03)
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- Novel gemini micelles from dimeric surfactants with oxyethylene spacer chain. Small angle neutron scattering and fluorescence studies
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Three new gemini surfactants containing mono-, di-, and trioxyethylene spacer chains have been synthesized. Small angle neutron scattering (SANS) cross sections from the micellar aggregates of these dimeric amphiphiles Br-, n-C16H33NMe2+-CH2(CH 2OCH2)pCH2-N+Me 2-n-C16H33, Br-, (where p = 1, 2, and 3) in aqueous media (D2O) have been measured. The data have been analyzed using the Hayter and Penfold model for macro-ion solution to compute the interparticle structure factor S(Q) taking into account the screened Coulomb interactions between the dimeric micelles. The SANS analysis showed that the micellar morphology depends on both the nature and the length of the spacer unit. Detailed analysis of the data further indicates that the introduction of oxyethylene spacer is not sufficient enough to prevent looping of the spacer chain. Thus the average separation between the dimethylammonium ion headgroups is considerably lower than is expected from a fully extended conformation of the spacer chain. The micelles from these surfactants have also been characterized in terms of their critical micelle concentrations (cmc), microviscosities, and micropolarities on the basis of the information provided by micelle-solubilized fluorescent probes. These results indicate little difference in their micellar properties such as cmc, microviscosity, and micropolarity.
- De, Soma,Aswal, Vinod K.,Goyal, Prem S.,Bhattacharya, Santanu
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p. 6152 - 6160
(2007/10/03)
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- Metal-assisted Reactions. Part 17. Ring-opening and Dimerization of Cyclic Ethers by Titanium Halides
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Reaction of TiCl4 or TiBr4 with a variety of cyclic ethers gives, predominantly, products resulting from simple ring-opening or from ring-opening with simultaneous condensation to dimeric species.The variations in yields of these two kinds of products might be correlated qualitatively with an initial formation of the complex TiX4*2E (X = Cl or Br; E = cyclic ether) in which the ethers were held in a cis or trans relationship.Although such a correlation might suggest that TiCl4 but not TiBr4 exerts a template effect on the condensation, stereochemical considerations of the reaction products indicate otherwise.TiCl3 and VCl3 do not give similar results and TiF4 gives no reaction.
- Delaney, Paul A.,Johnstone, Robert A. W.,Entwistle, Ian D.
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p. 1855 - 1860
(2007/10/02)
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- A FACILE METHOD FOR THE CONVERSION OF PRIMARY ALKYL CHLORIDES TO THE CORRESPONDING BROMIDES
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Treatment of several representative primary alkyl chlorides with one equivalent of sodium bromide in 2:1 (v/v) N,N-dimethylformamide : dibromoethane at 100 deg C for several hours resulted in their quantitative conversion to the corresponding bromides.
- Babler, James H.,Spina, Kenneth P.
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p. 1313 - 1320
(2007/10/02)
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- Stereoselective Reductions of Substituted Cyclohexyl and Cyclopentyl Carbon-Nitrogen ? Systems with Hydride Reagents
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Reductions of 3- and 4-substituted cyclohexyl imines, iminium salts, and enamines (via iminium ions) with various hydride reagents reveal that while small reagents (NaBH4, NaBH3CN) favor axial approach as observed with the corresponding ketones, even moderately bulky reagents (i.e., acetoxyboranes) attack preferentially from the equatorial side.This is in direct contrast to the results observed for the same reagents with the corresponding ketones and is interpreted as implying that additional steric interactions induced by the nitrogen substituents encumber axial attack by substituted hydride reagents and force approach from the equatorial direction.The very bulky tri-sec-butylborohydride anion affords highly stereodiscriminating equatorial attack.Reductions of 2-alkylcyclohexyl and 2-alkylcyclopentyl imines and enamines also proceed with high stereoselectivity to give cis-2-alkyl cyclic amines with both hindered and unhindered reagents.This is interpreted to be the result of (1) augmented steric interactions between nitrogen substituents and equatorial 2-alkyl groups (1,3-allylic strain) which induces conformational changes to favor the axial 2-alkyl conformer and (2) hindrance toward equatorial approach by reagents induced by axial alkyl substituents.The result is that equatorial approach is favored with equatorial 2-alkyl conformers and preferential axial approach with axial 2-alkyl conformers, leading to stereoselective production of cis-2-alkylamines. trans-2-n-Propyl-4-tert-butylcyclohexanone is reduced by LiBH(sec-Bu)3 preferentially from the axial direction in contrast to the usual highly selective equatorial attack observed with other cyclohexanones.
- Hutchins, Robert O.,Su, Wei-Yang,Sivakumar, Ramachandran,Cistone, Frank,Stercho, Yuriy P.
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p. 3412 - 3422
(2007/10/02)
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- Dicopper(II) Complexes of an N6O2 Macrocycle and Seven-co-ordinate Manganese(II), Iron(II), Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes of its N5O2 Open-chain Precursor
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The syntheses via metall-ion (Mg(2+), Ca(2+), or Ba(2+)) template methods followed by transmetallation, of the complexes (ML1)X2 (M=MnII, FeII, CoII, NiII, CuII, or ZnII; X=ClO4(1-) or BPh4(1-)) of the potentially septidentate ligand L1 formed by condensation of 1 mol of 2,6-diacetylpyridine with 2 mol of 3-oxapentane-1,5-diamine is described.The collective evidence of the properties (magnetic and spectroscopic) of the complexes indicates a seven-co-ordinate (pentagonal-bipyramidal) structure.Ring closure, via a transamination mechanism, of L1 in BaL1(ClO4)2 leads to the complex BaL2(ClO4)2*3H2O containing the 24-membered N6O2 macrocyclic ligand L2.The single Ba(2+) in this complex may be replaced by two copper(II) ions to afford the binuclear complex Cu2L2(ClO4)4*H2O which on treatment with imidazole (Him) gives Cu2L2(im)(ClO4)3*H2O containing an imidazolate bridge between the antiferromagnetically coupled metal centres.
- Nelson S. Martin,Knox C. Victor
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p. 2525 - 2528
(2007/10/02)
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- Synthesis, N.m.r. Spectra, and Structure of Macrocyclic Compounds containing the Ferrocene Unit
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The condensation of 1,1'-bis(chlorocarbonyl)ferrocene with diaza-18-crown-6 gives 1,1'-(1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane-7,16-diyldicarbonyl)ferrocene (5) together with its dimer 1,1'':1',1'''-bis-(1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane-7,16-diyldicarbonyl)bisferrocene (6) and the separation and isolation of these compounds are described.High resolution 1H and 13C n.m.r. spectra using homo- and hetero-nuclear decoupling techniques allow a complete assignment of the spectral data for (5) and (6) and lead to a proposal of a structure for (5) involving a trans-disposition of the amide carbonyl groups.Variable-temperature n.m.r. data on (6) reveal two distinct dynamic processes within the molecule involving rotation about the ferrocene-carbonyl bond (ΔG=50 kJ mol-1, Tc=-10 deg C) and rotation about the N-CO bond (ΔG=67 kJ mol-1, Tc=+60 deg C).The preparation, 1H and 13C n.m.r. data of monocyclic compounds containing the ferrocene unit (13a-c), (14) and (15) are also described and the details of the synthesis of an 15N-labelled analogue of (13c), the macrocycle (16), are reported.
- Hammond, Philip J.,Bell, Alan P.,Hall, C. Dennis
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p. 707 - 715
(2007/10/02)
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- Ring-Closure Reactions. 19. Kinetics of Formation of Benzo-Crown Ethers by Intramolecular Nucleophilic Substitution. A Comparison between Poly(oxyethylene) and Polymethylene Chains
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Kinetic data have been obtained for the formation of 9-, 12-, 15-, 21-, 30-, and 48-membered benzo-crown ethers by intramolecular Williamson synthesis in Me2SO-water (99:1, v/v).Comparison with earlier data for the formation of catechol polymethylene ethers provides an insight into the influence on the ease of ring closure of the replacement of methylene groups by oxygen atoms.Little or no effect occurs at ring size 9.In the next higher homologues the ease of cyclization of the poly(oxyethylene) chains is some 3 times as great as that of the polymethylene chains of similar length, but in the limit of the very long chains the two series behave much in the same way.Interestingly, literature data related to the fast, encounter-controlled reactions between end groups linked by poly(oxyethylene) and polymethylene chains reveal much the same features of the slow, activation-controlled reactions.The general picture fits in with well-established conformational arguments based on the expected strain relief due to replacement of trasannular CH...HC interactions with CH...O or O...O interactions.The oxygen atom effect turns out to be a sensitive tool for the detection of even weak strain energies in ring compounds.
- Illuminati, Gabriello,Mandolini, Luigi,Masci, Bernardo
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p. 4142 - 4145
(2007/10/02)
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