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… ultrahigh affinity host− guest complexes of cucurbit uril with bicyclo octane and adamantane guests: Thermodynamic analysis and evaluation of m2 affinity …

evaluation

Yang C.
GSID: PBIwAQd0gtcJ
S Moghaddam, C Yang, M Rekharsky… - Journal of the …, 2011 - ACS Publications

A dicationic ferrocene derivative has previously been shown to bind cucurbit[7]uril (CB[7]) in water with ultrahigh affinity (ΔG o = −21 kcal/mol). Here, we describe new compounds that bind aqueous CB[7] equally well, validating our prior suggestion that they,...

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Moghaddam, S., Yang, C., Rekharsky, M., Ko, Y. H., Kim, K., Inoue, Y., & Gilson, M. K. (2011). New ultrahigh affinity host− guest complexes of cucurbit [7] uril with bicyclo [2.2. 2] octane and adamantane guests: Thermodynamic analysis and evaluation of m2 affinity calculations. Journal of the American Chemical Society, 133(10), 3570-3581.
Moghaddam, Sarvin, et al. "New ultrahigh affinity host− guest complexes of cucurbit [7] uril with bicyclo [2.2. 2] octane and adamantane guests: Thermodynamic analysis and evaluation of m2 affinity calculations." Journal of the American Chemical Society 133.10 (2011): 3570-3581.
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Wide-ranging host capability of a Pd(II)-linked M2L4 molecular capsule with an anthracene shell.

Chemistry (Weinheim an der Bergstrasse, Germany)

Kishi N, Li Z, Sei Y, Akita M, Yoza K, Siegel JS, Yoshizawa M.
PMID: 23508693
Chemistry. 2013 May 10;19(20):6313-20. doi: 10.1002/chem.201204010. Epub 2013 Mar 18.

This article reports that an M2L4 molecular capsule is capable of encapsulating various neutral molecules in quantitative yields. The capsule was obtained as a single product by mixing a small number of components; two Pd(II) ions and four bent...

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Kishi N, Li Z, Sei Y, et al. Wide-ranging host capability of a Pd(II)-linked M2L4 molecular capsule with an anthracene shell. Chemistry. 2013;19(20):6313-20doi: 10.1002/chem.201204010.
Kishi, N., Li, Z., Sei, Y., Akita, M., Yoza, K., Siegel, J. S., & Yoshizawa, M. (2013). Wide-ranging host capability of a Pd(II)-linked M2L4 molecular capsule with an anthracene shell. Chemistry (Weinheim an der Bergstrasse, Germany), 19(20), 6313-20. https://doi.org/10.1002/chem.201204010
Kishi, Norifumi, et al. "Wide-ranging host capability of a Pd(II)-linked M2L4 molecular capsule with an anthracene shell." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 19,20 (2013): 6313-20. doi: https://doi.org/10.1002/chem.201204010
Kishi N, Li Z, Sei Y, Akita M, Yoza K, Siegel JS, Yoshizawa M. Wide-ranging host capability of a Pd(II)-linked M2L4 molecular capsule with an anthracene shell. Chemistry. 2013 May 10;19(20):6313-20. doi: 10.1002/chem.201204010. Epub 2013 Mar 18. PMID: 23508693.
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Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction.

Physical chemistry chemical physics : PCCP

Lee SU, Mizuseki H, Kawazoe Y.
PMID: 20694223
Phys Chem Chem Phys. 2010 Oct 07;12(37):11763-9. doi: 10.1039/c001400a. Epub 2010 Aug 09.

We present a systematic analysis of molecular level alignments and electron transport characteristics based on the non-equilibrium Green's function (NEGF) approach combined with density functional theory (DFT) for phenyl dithiol (PDT) derivatives with two different linkages, simple thiol (ST)...

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Lee SU, Mizuseki H, Kawazoe Y. Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction. Phys Chem Chem Phys. 2010;12(37):11763-9doi: 10.1039/c001400a.
Lee, S. U., Mizuseki, H., & Kawazoe, Y. (2010). Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction. Physical chemistry chemical physics : PCCP, 12(37), 11763-9. https://doi.org/10.1039/c001400a
Lee, Sang Uck, et al. "Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction." Physical chemistry chemical physics : PCCP vol. 12,37 (2010): 11763-9. doi: https://doi.org/10.1039/c001400a
Lee SU, Mizuseki H, Kawazoe Y. Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction. Phys Chem Chem Phys. 2010 Oct 07;12(37):11763-9. doi: 10.1039/c001400a. Epub 2010 Aug 09. PMID: 20694223.
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Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

Acta crystallographica. Section E, Crystallographic communications

Al-Wabli RI, El-Emam AA, Alroqi OS, Chidan Kumar CS, Fun HK.
PMID: 25878859
Acta Crystallogr E Crystallogr Commun. 2015 Jan 17;71:o115-6. doi: 10.1107/S2056989015000596. eCollection 2015 Feb 01.

The title compound, C18H20ClN3S, is a functionalized triazoline-3-thione derivative. The benzene ring is almost perpendic-ular to the planar 1,2,4-triazole ring [maximum deviation = 0.007 (1) Å] with a dihedral angle of 89.61 (5)° between them and there is an...

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Al-Wabli RI, El-Emam AA, Alroqi OS, et al. Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione. Acta Crystallogr E Crystallogr Commun. 2015;71:o115-6doi: 10.1107/S2056989015000596.
Al-Wabli, R. I., El-Emam, A. A., Alroqi, O. S., Chidan Kumar, C. S., & Fun, H. K. (2015). Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione. Acta crystallographica. Section E, Crystallographic communications, 71o115-6. https://doi.org/10.1107/S2056989015000596
Al-Wabli, Reem I, et al. "Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione." Acta crystallographica. Section E, Crystallographic communications vol. 71 (2015): o115-6. doi: https://doi.org/10.1107/S2056989015000596
Al-Wabli RI, El-Emam AA, Alroqi OS, Chidan Kumar CS, Fun HK. Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione. Acta Crystallogr E Crystallogr Commun. 2015 Jan 17;71:o115-6. doi: 10.1107/S2056989015000596. eCollection 2015 Feb 01. PMID: 25878859; PMCID: PMC4384613.
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Sustained Small Molecule Delivery from Injectable Hyaluronic Acid Hydrogels through Host-Guest Mediated Retention.

Journal of materials chemistry. B

Mealy JE, Rodell CB, Burdick JA.
PMID: 26693019
J Mater Chem B. 2015 Oct 28;3(40):8010-8019. doi: 10.1039/C5TB00981B. Epub 2015 Sep 18.

Self-assembled and injectable hydrogels have many beneficial properties for the local delivery of therapeutics; however, challenges still exist in the sustained release of small molecules from these highly hydrated networks. Host-guest chemistry between cyclodextrin and adamantane has been used...

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Mealy JE, Rodell CB, Burdick JA. Sustained Small Molecule Delivery from Injectable Hyaluronic Acid Hydrogels through Host-Guest Mediated Retention. J Mater Chem B. 2015;3(40):8010-8019doi: 10.1039/C5TB00981B.
Mealy, J. E., Rodell, C. B., & Burdick, J. A. (2015). Sustained Small Molecule Delivery from Injectable Hyaluronic Acid Hydrogels through Host-Guest Mediated Retention. Journal of materials chemistry. B, 3(40), 8010-8019. https://doi.org/10.1039/C5TB00981B
Mealy, Joshua E, et al. "Sustained Small Molecule Delivery from Injectable Hyaluronic Acid Hydrogels through Host-Guest Mediated Retention." Journal of materials chemistry. B vol. 3,40 (2015): 8010-8019. doi: https://doi.org/10.1039/C5TB00981B
Mealy JE, Rodell CB, Burdick JA. Sustained Small Molecule Delivery from Injectable Hyaluronic Acid Hydrogels through Host-Guest Mediated Retention. J Mater Chem B. 2015 Oct 28;3(40):8010-8019. doi: 10.1039/C5TB00981B. Epub 2015 Sep 18. PMID: 26693019; PMCID: PMC4675358.
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Adamantane-based Bidendate Metal Complexes in Crystalline and Solution State.

Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

Ohara K, Tominaga M, Masu H, Azumaya I, Yamaguchi K.
PMID: 27941266
Anal Sci. 2016;32(12):1347-1352. doi: 10.2116/analsci.32.1347.

Bidentate organic molecules with imidazole or benzimidazole moieties connected to a rigid 1,3-diphenyladamantane spacer are simple and unique building blocks that facilitate the assembly of supramolecular architectures in the solid state via metal-coordination. Single-crystal X-ray analysis revealed that the...

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Ohara K, Tominaga M, Masu H, et al. Adamantane-based Bidendate Metal Complexes in Crystalline and Solution State. Anal Sci. 2016;32(12):1347-1352doi: 10.2116/analsci.32.1347.
Ohara, K., Tominaga, M., Masu, H., Azumaya, I., & Yamaguchi, K. (2016). Adamantane-based Bidendate Metal Complexes in Crystalline and Solution State. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 32(12), 1347-1352. https://doi.org/10.2116/analsci.32.1347
Ohara, Kazuaki, et al. "Adamantane-based Bidendate Metal Complexes in Crystalline and Solution State." Analytical sciences : the international journal of the Japan Society for Analytical Chemistry vol. 32,12 (2016): 1347-1352. doi: https://doi.org/10.2116/analsci.32.1347
Ohara K, Tominaga M, Masu H, Azumaya I, Yamaguchi K. Adamantane-based Bidendate Metal Complexes in Crystalline and Solution State. Anal Sci. 2016;32(12):1347-1352. doi: 10.2116/analsci.32.1347. PMID: 27941266.
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NIR-absorbing dye functionalized hollow mesoporous silica nanoparticles for combined photothermal-chemotherapy.

Chemical communications (Cambridge, England)

Zhang Y, Qu Q, Cao X, Zhao Y.
PMID: 29058740
Chem Commun (Camb). 2017 Nov 02;53(88):12032-12035. doi: 10.1039/c7cc07897h.

Multifunctional hollow mesoporous silica nanoparticles were constructed by firstly loading with doxorubicin and then capping with disulfide linked β-cyclodextrin followed by complexation with adamantane functionalized indocyanine dye, showing improved anticancer efficacy through combined photothermal-chemotherapy.

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Zhang Y, Qu Q, Cao X, et al. NIR-absorbing dye functionalized hollow mesoporous silica nanoparticles for combined photothermal-chemotherapy. Chem Commun (Camb). 2017;53(88):12032-12035doi: 10.1039/c7cc07897h.
Zhang, Y., Qu, Q., Cao, X., & Zhao, Y. (2017). NIR-absorbing dye functionalized hollow mesoporous silica nanoparticles for combined photothermal-chemotherapy. Chemical communications (Cambridge, England), 53(88), 12032-12035. https://doi.org/10.1039/c7cc07897h
Zhang, Yuanyuan, et al. "NIR-absorbing dye functionalized hollow mesoporous silica nanoparticles for combined photothermal-chemotherapy." Chemical communications (Cambridge, England) vol. 53,88 (2017): 12032-12035. doi: https://doi.org/10.1039/c7cc07897h
Zhang Y, Qu Q, Cao X, Zhao Y. NIR-absorbing dye functionalized hollow mesoporous silica nanoparticles for combined photothermal-chemotherapy. Chem Commun (Camb). 2017 Nov 02;53(88):12032-12035. doi: 10.1039/c7cc07897h. PMID: 29058740.
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Directed C-H Bond Oxidation of Bridged Cycloalkanes Catalyzed by Palladium(II) Acetate.

Chemistry (Weinheim an der Bergstrasse, Germany)

Larrosa M, Zonker B, Volkmann J, Wech F, Logemann C, Hausmann H, Hrdina R.
PMID: 29488690
Chemistry. 2018 Apr 20;24(23):6269-6276. doi: 10.1002/chem.201800550. Epub 2018 Mar 22.

We have developed a synthesis of 1,2-substituted adamantane carboxylic acids and further bridged cycloalkanes (cage compounds) by palladium acetate-catalyzed C-H bond oxidation. Acetoxylation of cycloalkane framework was performed using picolylamide as a directing group. Modification of the substrate, ligand...

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Larrosa M, Zonker B, Volkmann J, et al. Directed C-H Bond Oxidation of Bridged Cycloalkanes Catalyzed by Palladium(II) Acetate. Chemistry. 2018;24(23):6269-6276doi: 10.1002/chem.201800550.
Larrosa, M., Zonker, B., Volkmann, J., Wech, F., Logemann, C., Hausmann, H., & Hrdina, R. (2018). Directed C-H Bond Oxidation of Bridged Cycloalkanes Catalyzed by Palladium(II) Acetate. Chemistry (Weinheim an der Bergstrasse, Germany), 24(23), 6269-6276. https://doi.org/10.1002/chem.201800550
Larrosa, Marta, et al. "Directed C-H Bond Oxidation of Bridged Cycloalkanes Catalyzed by Palladium(II) Acetate." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 24,23 (2018): 6269-6276. doi: https://doi.org/10.1002/chem.201800550
Larrosa M, Zonker B, Volkmann J, Wech F, Logemann C, Hausmann H, Hrdina R. Directed C-H Bond Oxidation of Bridged Cycloalkanes Catalyzed by Palladium(II) Acetate. Chemistry. 2018 Apr 20;24(23):6269-6276. doi: 10.1002/chem.201800550. Epub 2018 Mar 22. PMID: 29488690.
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Spectral assignment of new adamantane derivatives of 1,3-; 1,5-dihydroxy- and 1,5-dimethylnaphthalenes.

Magnetic resonance in chemistry : MRC

Peterson IV, Svirskaya NM, Kondrasenko AA, Rubaylo AI.
PMID: 25594390
Magn Reson Chem. 2015 Apr;53(4):323-6. doi: 10.1002/mrc.4206. Epub 2015 Jan 16.

No abstract available.

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Peterson IV, Svirskaya NM, Kondrasenko AA, et al. Spectral assignment of new adamantane derivatives of 1,3-; 1,5-dihydroxy- and 1,5-dimethylnaphthalenes. Magn Reson Chem. 2015;53(4):323-6doi: 10.1002/mrc.4206.
Peterson, I. V., Svirskaya, N. M., Kondrasenko, A. A., & Rubaylo, A. I. (2015). Spectral assignment of new adamantane derivatives of 1,3-; 1,5-dihydroxy- and 1,5-dimethylnaphthalenes. Magnetic resonance in chemistry : MRC, 53(4), 323-6. https://doi.org/10.1002/mrc.4206
Peterson, Ivan V, et al. "Spectral assignment of new adamantane derivatives of 1,3-; 1,5-dihydroxy- and 1,5-dimethylnaphthalenes." Magnetic resonance in chemistry : MRC vol. 53,4 (2015): 323-6. doi: https://doi.org/10.1002/mrc.4206
Peterson IV, Svirskaya NM, Kondrasenko AA, Rubaylo AI. Spectral assignment of new adamantane derivatives of 1,3-; 1,5-dihydroxy- and 1,5-dimethylnaphthalenes. Magn Reson Chem. 2015 Apr;53(4):323-6. doi: 10.1002/mrc.4206. Epub 2015 Jan 16. PMID: 25594390.
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Structure evolution of nanoparticulate Fe2O3.

Nanoscale

Erlebach A, Kurland HD, Grabow J, Müller FA, Sierka M.
PMID: 25587689
Nanoscale. 2015 Feb 21;7(7):2960-9. doi: 10.1039/c4nr06989g.

The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure optimizations at the density functional theory level, molecular...

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Erlebach A, Kurland HD, Grabow J, et al. Structure evolution of nanoparticulate Fe2O3. Nanoscale. 2015;7(7):2960-9doi: 10.1039/c4nr06989g.
Erlebach, A., Kurland, H. D., Grabow, J., Müller, F. A., & Sierka, M. (2015). Structure evolution of nanoparticulate Fe2O3. Nanoscale, 7(7), 2960-9. https://doi.org/10.1039/c4nr06989g
Erlebach, Andreas, et al. "Structure evolution of nanoparticulate Fe2O3." Nanoscale vol. 7,7 (2015): 2960-9. doi: https://doi.org/10.1039/c4nr06989g
Erlebach A, Kurland HD, Grabow J, Müller FA, Sierka M. Structure evolution of nanoparticulate Fe2O3. Nanoscale. 2015 Feb 21;7(7):2960-9. doi: 10.1039/c4nr06989g. PMID: 25587689.
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Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation.

Journal of chemical theory and computation

Yamazaki T, Kovalenko A.
PMID: 26609997
J Chem Theory Comput. 2009 Jul 14;5(7):1723-30. doi: 10.1021/ct9000729.

We propose a method of spatial decomposition analysis (SDA) to study the thermodynamics of association in solution, based on three-dimensional molecular theory of solvation. We decompose the solvation thermodynamics quantities into the excluded volume and solvation shell terms and...

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Yamazaki T, Kovalenko A. Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation. J Chem Theory Comput. 2009;5(7):1723-30doi: 10.1021/ct9000729.
Yamazaki, T., & Kovalenko, A. (2009). Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation. Journal of chemical theory and computation, 5(7), 1723-30. https://doi.org/10.1021/ct9000729
Yamazaki, Takeshi, and Kovalenko, Andriy. "Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation." Journal of chemical theory and computation vol. 5,7 (2009): 1723-30. doi: https://doi.org/10.1021/ct9000729
Yamazaki T, Kovalenko A. Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation. J Chem Theory Comput. 2009 Jul 14;5(7):1723-30. doi: 10.1021/ct9000729. PMID: 26609997.
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pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules.

Chemical science

Cullen W, Turega S, Hunter CA, Ward MD.
PMID: 28936311
Chem Sci. 2015 Jan 01;6(1):625-631. doi: 10.1039/c4sc02090a. Epub 2014 Jul 31.

A range of organic molecules with acidic or basic groups exhibit strong pH-dependent binding inside the cavity of a polyhedral coordination cage. Guest binding in aqueous solution is dominated by a hydrophobic contribution which is compensated by stronger solvation...

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Cullen W, Turega S, Hunter CA, et al. pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules. Chem Sci. 2014;6(1):625-631doi: 10.1039/c4sc02090a.
Cullen, W., Turega, S., Hunter, C. A., & Ward, M. D. (2015). pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules. Chemical science, 6(1), 625-631. https://doi.org/10.1039/c4sc02090a
Cullen, William, et al. "pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules." Chemical science vol. 6,1 (2015): 625-631. doi: https://doi.org/10.1039/c4sc02090a
Cullen W, Turega S, Hunter CA, Ward MD. pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules. Chem Sci. 2015 Jan 01;6(1):625-631. doi: 10.1039/c4sc02090a. Epub 2014 Jul 31. PMID: 28936311; PMCID: PMC5588781.
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Showing 1 to 12 of 697 entries