- Selective detection of Hg(II) with benzothiazole-based fluorescent organic cation and the resultant complex as a ratiometric sensor for bromide in water
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A benzothiazole-based receptor conjugated with an imidazolium cation, receptor N1, was synthesized. Receptor N1 is capable of selectively binding Hg(II) in the presence of other metal ions in water, with a large enhancement in fluorescence intensity at 38
- Singh, Amanpreet,Singh, Ajnesh,Singh, Narinder,Jang, Doo Ok
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Read Online
- New nitric oxide-releasing indomethacin derivatives with 1,3-thiazolidine-4-one scaffold: Design, synthesis, in silico and in vitro studies
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In this study we present design and synthesis of nineteen new nitric oxide-releasing indomethacin derivatives with 1,3-thiazolidine-4-one scaffold (NO-IND-TZDs) (6a–s), as a new safer and efficient multi-targets strategy for inflammatory diseases. The che
- Sava, Alexandru,Buron, Frederic,Routier, Sylvain,Panainte, Alina,Bibire, Nela,Profire, Lenu?a
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- Design, synthesis, in silico and in vitro studies for new nitric oxide‐releasing indomethacin derivatives with 1,3,4‐oxadiazole‐2‐thiol scaffold
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Starting from indomethacin (IND), one of the most prescribed non‐steroidal anti‐inflammatory drugs (NSAIDs), new nitric oxide‐releasing indomethacin derivatives with 1,3,4‐oxadiazole‐ 2‐thiol scaffold (NO‐IND‐OXDs, 8a‐p) have been developed as a safer and
- Sava, Alexandru,Buron, Frederic,Routier, Sylvain,Panainte, Alina,Bibire, Nela,Constantin, Sandra M?d?lina,Lupa?cu, Florentina Geanina,Foc?a, Alin Viorel,Profire, Lenu?a
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- Crystal structure analysis and quantum chemical study of two macrocyclic compounds
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The synthesis of new organic macrocyclic nonlinear optical materials with good performance has taken the prime focus of research due to the unlimited design possibilities. Two macrocyclic structures, confirmed by 1H, 13C NMR and FT-IR, namely spiro pyrrolidine grafted methyl macrocycle C28H26N2O3 and 1,2,3 triazole bridged pyrrolidine grafted chloro macrocycle C29H27Cl1N4O30.5(H2O) are analysed by single crystal X-ray diffraction method. The UV–Vis spectra of the two compounds show that these crystals are transparent in the entire visible region. The global reactivity descriptors such as ionization potential, electron affinity, electronegativity, chemical hardness, chemical potential, chemical softness, electrophilicity index and nonlinear optical parameters such as dipole moment (μ) and static second order hyperpolarizability (γ) are determined in gas phase at the molecular level by semiempirical quantum chemical method with the coordinates obtained from X-ray diffraction as the starting geometry. In addition, the bioactivity scores were calculated from the chemical skeleton.
- Maragatham,Prabhakaran,Rajakumar,Lakshmi
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- Iron-catalyzed protodehalogenation of alkyl and aryl halides using hydrosilanes
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A simple and efficient iron-catalyzed protodehalogenation of alkyl and aryl halides using phenylhydrosilane is disclosed. The reaction utilizes FeCl3 without the requirement of ligands. Unactivated alkyl and aryl halides were successfully reduced in good yields; sterically hindered tertiary halides were also reduced including the less reactive chlorides. The scalability of this methodology was demonstrated by a gram-scale synthesis with a catalyst loading as low as 0.5 mol%. Notably, disproportionation of phenylsilane leads to diphenylsilane that further reduces the halides. Preliminary mechanistic studies revealed a non-radical pathway and the source of hydrogen is PhSiH3via deuterium labeling studies. Our methodology represents simplicity and provides a good alternative to typical tin, aluminum and boron hydride reagents.
- Pilli, Ramadevi,Balakrishnan, Venkadesh,Chandrasekaran, Revathi,Rasappan, Ramesh
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supporting information
p. 1749 - 1753
(2019/02/20)
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- A nanomolar detection of mercury(II) ion by a chemodosimetric rhodamine-based sensor in an aqueous medium: Potential applications in real water samples and as paper strips
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A new promising rhodamine based colorimetric and fluorometric chemosensor, RDV has been designed and synthesized for specific detection of Hg2+ ion. It acts as highly selective “turn-on” fluorescent chemosensor for Hg2+ ion without i
- Patil, Sagar K.,Das, Dipanwita
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- Ligand-controlled gold-catalyzed cycloisomerization of 1,: N -enyne esters toward synthesis of dihydronaphthalene
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We describe herein a gold-catalyzed rearrangement of propargyl esters followed by allene-ene cyclization to afford substituted bicyclic [4.4.0] dihydronaphthalene compounds. This method is also applied to vinylethers and vinylamines of 1,7-enyne esters to
- Thummanapelli, Sravan K.,Hosseyni, Seyedmorteza,Su, Yijin,Akhmedov, Novruz G.,Shi, Xiaodong
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supporting information
p. 7687 - 7690
(2016/07/06)
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- A Facile and Efficient Synthesis of Six-Membered Enol Carbocyclic Compounds
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A facile and efficient method for the synthesis of six-membered enol carbocyclic compounds was realized by intermolecular cyclization reaction of 3-aryllidenepentane-2,4-diones with t-BuOK in CH2Cl2. The reaction is conducted under m
- Yang, De-Suo,Ke, Sen,Fan, Ming-Jin,Zhu, Hai-Tao,Wang, Xiao-Ling,Guan, Zheng-Hui
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supporting information
p. 2826 - 2830
(2015/12/18)
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- Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes
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A series of second-generation ruthenium olefin metathesis catalysts was investigated using a combination of reaction kinetics, X-ray crystallography, NMR spectroscopy, and DFT calculations in order to determine the relationship between the structure of the chelating o-alkoxybenzylidene and the observed initiation rate. Included in this series were previously reported catalysts containing a variety of benzylidene modifications as well as four new catalysts containing cyclopropoxy, neopentyloxy, 1-adamantyloxy, and 2-adamantyloxy groups. The initiation rates of this series of catalysts were determined using a UV/vis assay. All four new catalysts were observed to be faster-initiating than the corresponding isopropoxy control, and the 2-adamantyloxy catalyst was found to be among the fastest-initiating Hoveyda-type catalysts reported to date. Analysis of the X-ray crystal structures and computed energy-minimized structures of these catalysts revealed no correlation between the Ru-O bond length and Ru-O bond strength. On the other hand, the initiation rate was found to correlate strongly with the computed Ru-O bond strength. This latter finding enables both the rationalization and prediction of catalyst initiation through the calculation of a single thermodynamic parameter in which no assumptions about the mechanism of the initiation step are made.
- Engle, Keary M.,Lu, Gang,Luo, Shao-Xiong,Henling, Lawrence M.,Takase, Michael K.,Liu, Peng,Houk,Grubbs, Robert H.
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supporting information
p. 5782 - 5792
(2015/05/20)
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- A selective and sensitive phenanthroimidazole-based "reactive" ratiometric sensor for recognition of Hg2+ ions in aqueous solution
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Based on specific reactivity of the vinyloxy group to Hg2+ ions, a new ratiometric phenanthroimidazole-based fluorescent sensor, 2-(2-(vinyloxy)phenyl)-1H-phenanthro[9,10-d]imidazole, is prepared. The selectivity of the probe toward Hg2+/
- Yan, Yuanyuan,Zhang, Rui,Yu, Xiang,Xu, Hui
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p. 1676 - 1680
(2015/01/09)
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- Synthesis and biological evaluation of nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide as potential antiplatelet agents
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A series of novel nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide were designed, synthesized and evaluated as potential antiplatelet agents. Compound 10b significantly inhibited the adenosine diphosphate (ADP)-induced platelet aggregation
- Wang, Xiaoli,Wang, Linna,Huang, Zhangjian,Sheng, Xiao,Li, Tingting,Ji, Hui,Xu, Jinyi,Zhang, Yihua
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p. 1985 - 1988
(2013/05/09)
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- A new and convenient synthetic method for 1,2,3,5,6,11b-hexahydroimidazo[1, 2-d][1,4]benzoxazepine and its derivatives
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A convenient approach is described for the general synthesis of novel tricyclic scaffolds incorporating an imidazolidine ring and medium sized rings, such as a benzoxazepine ring, through condensation of either aliphatic or aromatic 1,2-diamines with a 2-
- Mizyed, Shehadeh A.,Ashram, Muhammad,Awwadi, Firas F.
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scheme or table
p. 277 - 286
(2011/12/15)
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- Microwave-assisted synthesis of a new series of resorcin[4]arene Cavitand-capped porphyrin capsules
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Capsule-shaped molecular receptors are fundamental to the modeling of biological host-guest interactions such as those characteristic of enzymatic processes. Among the more versatile and effective synthetic receptors are the hemicarcerand-type hosts. Herein we report the synthesis of six novel resorcin[4]arene cavitand-capped porphyrin capsules, in a new series of molecular capsules modeled on the classical hemicarcerands initially reported by Cram and co-workers. In the first reported instance of its utilisation in the preparation of supramolecularly-capped porphyrin host molecules, microwave (MW) irradiation was used (in conjunction with Adler conditions) in order to form the porphyrin cap in situ. Additionally, the yields obtained via these conditions exhibited a significant improvement, relative to the traditional refluxing protocol hitherto reported. Capsules 20-25 are indefinitely stable, and we observed that 22 and 25 possess the smallest rigidified cavities yet reported for resorcin[4]arene cavitand-capped porphyrin host molecules.
- McKay, Michael G.,Cwele, Thandanani,Friedrich, Holger B.,Maguire, Glenn E. M.
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supporting information; experimental part
p. 3958 - 3968
(2009/12/06)
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- SELECTIVE INHIBITORS OF HISTONE DEACETYLASE
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Described herein are compounds and pharmaceutical compositions containing such compounds, which inhibit the acitivy of histone deacetylase 8 (HDAC8). Also described herein are methods of using such HDAC8 inhibitors, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of HDAC8 activity.
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Page/Page column 145
(2009/12/02)
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- Synthesis of calix[4]crowns containing soft donor atoms and a study of their metal-cation binding properties: Highly selective receptors for Cu2+
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Two new calix[4]arenethiacrown derivatives 1 and 2 in the cone conformation were synthesized by two different pathways in good yield. Their complexation properties toward alkali, alkaline earth and transition metal cations were studied in acetonitrile at 298.15 K using a conductometric titration technique. The selectivity for Cu2+ over other cations with these novel ligands was excellent.
- Ashram, Muhammad
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p. 1662 - 1668
(2007/10/03)
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- Rate accelerations of 1,3-dipolar cycloaddition reactions in ionic liquids
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The 1,3-dipolar cycloaddition reactions between imidate 1 derived from diethyl aminomalonate and 2-ethoxybenzaldehyde 2 as dipolarophile has been investigated in various air and moisture stable ionic liquids. Significant rate enhancements and improved yie
- Fraga Dubreuil,Bazureau
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p. 7351 - 7355
(2007/10/03)
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- α-Cyanocinnamide derivatives: A new family of non-peptide, non-sulfhydryl inhibitors of ras farnesylation
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Farnesylation of Ras and other proteins is required for their membrane attachment and normal function. Here we report on the synthesis of α-cyanocinnamide derivatives, a new family of farnesyltransferase inhibitors. These compounds are nonpeptidic and do not contain sulfhydryl groups. The most potent compound is a pure competitive inhibitor with respect to the Ras protein and mixed competitive with respect to farnesyl diphosphate. Selectivity studies against geranylgeranyltransferase and biological activities of selected compounds are described. Copyright (C) 1999.
- Poradosu, Enrique,Gazit, Aviv,Reuveni, Hadas,Levitzki, Alexander
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p. 1727 - 1736
(2007/10/03)
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- Intramolecular addition reactions of functionalized arylcarbenes to double bonds
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Arylcarbenes with unsaturated ortho substituents (vinyloxy, 1-propenyloxy, allyl, 2-butenyl, 2,4-pentadienyl) were generated in methanol by photolysis of diazo precursors. Intermolecular OH insertion was found to compete with intramolecular addition to th
- Kirmse, Wolfgang,H?mberger, Günter
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p. 3925 - 3934
(2007/10/02)
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- Studies on the Conformation of 5,15-Diarylporphyrins with (Arylsulfonyl)oxy Substituents
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Dimeso-substituted octaalkylporphyrins, carrying an (arylsulfonyl)oxy group at the ortho position of the two (meso) phenyl groups, were synthesized from dipyrrolylmethanes and aldehydes.On account of a 1H NMR upfield shift in CDCl3 solution of 2-5 ppm for the aryl protons, a folded conformation is assumed in which the substituted aryl groups lie right above and below the porphyrin plane.In CDCl3/CF3COOH solution the upfield shifts are absent.The results of low-temperature 1H NMR measurements and ring-current calculations agreed with our assumptions.The sulfonyloxy group promotes folding of the molecule more than the ester, sulfonyl, sulfinyl, thio, or methylene group.In zinc porphyrins carrying anthraquinone substituents, intramolecular coordination was observed. ΔG, ΔH, and ΔS values for the various conformational equilibria were calculated from the NMR data.We suggest van der Waals interactions with a contribution of charge transfer as the driving force for the folding of the molecule.
- Sanders, Georgine M.,Dijk, Marinus van,Veldhuizen, Albertus van,Plas, Henk C. van der,Hofstra, Ulbert,Schaafsma, Tjeerd J.
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p. 5272 - 5281
(2007/10/02)
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