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531 results on '"Gallucci, Judith C."'

51. Arylzinc alkoxides: [ArZnOCHPr(super i)(sub 2)](sub 2) and Ar2Zn3[(OCHPr(super i)(sub 2)](sub 4) when Ar=C6H5, p-CF3C6H4, 2,4,6,-Me3C6H2, and C6F5

Author

Chisholm, Malcolm H., Gallucci, Judith C., Hongfeng Yin, and Zhen, Hongshi

Subjects
Epoxy compounds -- Structure, Epoxy compounds -- Research, Polymerization -- Research, Molecular structure -- Research, Chemistry
Abstract

The molecular structures of Ar2Zn3[OCHPr(super i)(sub 2)](sub 4) where Ar=p-CF3C6H4 and C6F5 and [ArZn(OCHPr(super i)(sub 2)](sub 2) where Ar=C6F5, p-CF3C6H4, and 2,4,6,Me3C6H2 are reported. The reactivity of the new compounds toward the polymerization of propylene oxide (PO) and the copolymerization of PO and Co2 are investigated along with related reactions involving the partial hydrolysis of the Ar2Zn and R2Zn compounds, where R=t-Bu, n-Bu, and n-Oct.

Published
2005

56. A delicate balance of energetics. Subtleties associated with alpha-ketol-based bridge migration to afford 9-keto-10beta-p-methoxybenzyloxytaxanes

Author

Paquette, Leo A., Lo, Ho Yin, Hofferberth, John E., and Gallucci, Judith C.

Subjects
Chemistry, Organic -- Research, Organic compounds -- Composition, Chemical reactions -- Analysis, Epoxy compounds, Biological sciences, Chemistry
Abstract

Research has been conducted on alpha-ketol-based bridge migration. The authors report that this reaction has been investigated with the purpose of being used in the synthesis of Taxol.

Published
2003

57. Dynamic helical chirality of an intramolecularly hydrogen-bonded bisoxazoline

Author

Preston, Adam J., Fraenkel, Gideon, Chow, Albert, Gallucci, Judith C., and Parquette, Jon R.

Subjects
Conformational analysis -- Usage, Oxo compounds -- Composition, Hydrogen bonding, Chirality, Organic compounds -- Composition, Chemistry, Organic -- Research, Biological sciences, Chemistry
Abstract

Research has been conducted on 2,6-bis-[2-((4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbam oylpyridines. The authors describe the synthesis and conformational properties of these compounds.

Published
2003

59. Probing Interligand Electron Transfer in the 1MLCT S1Excited State of trans-Mo2L2L′2Compounds: A Comparative Study of Auxiliary Ligands and Solvents

Author

Jiang, Changcheng, Young, Philip J., Brown-Xu, Samantha E., Kender, William T., Hamilton, Ewan J. M., Gallucci, Judith C., and Chisholm, Malcolm H.

Abstract

The interligand charge dynamics of the lowest singlet metal-to-ligand charge-transfer states (1MLCT S1states) of a series of quadruply bonded trans-Mo2(NN)2(O2C–X)2paddlewheel compounds are investigated, where NN is a π-accepting phenylpropiolamidinate ligand and O2C–X (X = Me, tBu, TiPB, or CF3) is an auxiliary carboxylate ligand. The compounds show strong light absorption in the visible region due to MLCT transitions from the Mo2center to the NN ligands. The transferred electron density was followed by femtosecond time-resolved infrared (fs-TRIR) spectroscopy with vibrational reporters such as the ethynyl groups on the NN ligands. The observed fs-TRIR spectra show that these compounds have asymmetric 1MLCT S1excited states where the transferred electron mainly resides on a single NN ligand. The presence of interligand electron transfer (ILET) is suggested to explain the shape of the ν(CC) bands and the influence of auxiliary ligands and solvents on the interligand electronic coupling. The ILET in the 1MLCT S1state is shown to be sensitive to the functional groups on the auxiliary ligands while being less responsive to changes in solvents.

Published
2024
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60. [Ru(bpy)2(5CNU)2]2+ as a Potential Dual Action PDT Agent

Author

Garner, Robert N., Gallucci, Judith C., Dunbar, Kim R., and Turro, Claudia

Subjects
Models, Molecular, 2,2'-Dipyridyl, Magnetic Resonance Spectroscopy, Photolysis, Coordination Complexes, Organometallic Compounds, Spectrophotometry, Ultraviolet, DNA, Molecular Dynamics Simulation, Uracil, humanities, Article, Ruthenium
Abstract

The cation cis-[Ru(bpy)(2)(5CNU)(2)](2+) (bpy = 2,2'-bipyridine; 5CNU = 5-cyanouracil) was synthesized and investigated for use as a potential light-activated dual-action therapeutic agent. The complex undergoes efficient photoinduced 5CNU ligand exchange for solvent water molecules, thus simultaneously releasing biologically active 5CNU and generating [Ru(bpy)(2)(H(2)O)(2)](2+). The latter binds covalently to ds-DNA, such that photolysis results in the generation of 3 equiv of potential therapeutic agents from a single molecule.

Published
2011

62. Desolvation and dehydrogenation of solvated magnesium salts of dodecahydrododecaborate: relationship between structure and thermal decomposition

Author

Chen, Xuenian, Liu, Yi-Hsin, Alexander, Anne-Marie, Gallucci, Judith C, Hwang, Son-Jong, Lingam, Hima Kumar, Huang, Zhenguo, Wang, Cong, Li, Huizhen, Zhao, Qianyi, Ozkan, Umit S, Shore, Sheldon G, Zhao, Ji-Cheng, Chen, Xuenian, Liu, Yi-Hsin, Alexander, Anne-Marie, Gallucci, Judith C, Hwang, Son-Jong, Lingam, Hima Kumar, Huang, Zhenguo, Wang, Cong, Li, Huizhen, Zhao, Qianyi, Ozkan, Umit S, Shore, Sheldon G, and Zhao, Ji-Cheng

Abstract

Attempts to synthesize solvent-free MgB12H12 by heating various solvated forms (H2O, NH3, and CH3OH) of the salt failed because of the competition between desolvation and dehydrogenation. This competition has been studied by thermogravimetric analysis (TGA) and temperature-programmed desorption (TPD). Products were characterized by IR, solution- and solid-state NMR spectroscopy, elemental analysis, and single-crystal or powder X-ray diffraction analysis. For hydrated salts, thermal decomposition proceeded in three stages, loss of water to form first hexahydrated then trihydrated, and finally loss of water and hydrogen to form polyhydroxylated complexes. For partially ammoniated salts, two stages of thermal decomposition were observed as ammonia and hydrogen were released with weight loss first of 14 % and then 5.5 %. Thermal decomposition of methanolated salts proceeded through a single step with a total weight loss of 32 % with the release of methanol, methane, and hydrogen. All the gaseous products of thermal decomposition were characterized by using mass spectrometry. Residual solid materials were characterized by solid-state (11)B magic-angle spinning (MAS) NMR spectroscopy and X-ray powder diffraction analysis by which the molecular structures of hexahydrated and trihydrated complexes were solved. Both hydrogen and dihydrogen bonds were observed in structures of [Mg(H2O)6B12H12]⋅6 H2O and [Mg(CH3OH)6B12H12]⋅6 CH3OH, which were determined by single-crystal X-ray diffraction analysis. The structural factors influencing thermal decomposition behavior are identified and discussed. The dependence of dehydrogenation on the formation of dihydrogen bonds may be an important consideration in the design of solid-state hydrogen storage materials.

Published
2014

63. Caeruleanone A, a rotenoid with a new arrangement of the D-ring from the fruits of Millettia caerulea.

Author

Bueno Pérez, Lynette, Pan, Li, Acuña, Ulyana Muñoz, Li, Jie, Chai, Hee-Byung, Gallucci, Judith C, Ninh, Tran Ngoc, Carcache de Blanco, Esperanza J, Soejarto, Djaja D, Kinghorn, A Douglas, Bueno Pérez, Lynette, Pan, Li, Acuña, Ulyana Muñoz, Li, Jie, Chai, Hee-Byung, Gallucci, Judith C, Ninh, Tran Ngoc, Carcache de Blanco, Esperanza J, Soejarto, Djaja D, and Kinghorn, A Douglas

Abstract

Caeruleanone A (1), a novel rotenoid with an unprecedented arrangement of the D-ring, was isolated with another two new analogues, caeruleanones B (2) and C (3), together with 11 known rotenoids from the fruits of Millettia caerulea. The structures of the new compounds were determined by spectroscopic data analysis, with that of 1 being confirmed by single-crystal X-ray diffraction. Compounds 2 and 3 displayed potent mitochondrial transmembrane potential inhibitory and quinone reductase induction activities.

Published
2014
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66. Alkyne adducts of [W2(OCH2(super t)Bu)sub 8](sub n) (M = M): comparisons of bridging and terminal addition products

Author

Chisholm, Malcolm H., Click, Damon R., Gallucci, Judith C., Hadad, Christopher M., and Wilson, Paul J.

Subjects
Molecular structure -- Research, Tungsten compounds -- Chemical properties, Tungsten compounds -- Structure, Chemistry
Abstract

The alkyne adducts of [W2(OCH2(super t)Bu)sub 8], which reveal for the fist time the existence of bridged and terminally bonded adducts represented by A and B, respectively are presented. The calculations have revealed the ground-state geometry for the PhCCMe alkyne adducts remarkably well.

Published
2002

73. Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei

Author

Ren, Yulin, primary, Lantvit, Daniel D., additional, Deng, Youcai, additional, Kanagasabai, Ragu, additional, Gallucci, Judith C., additional, Ninh, Tran Ngoc, additional, Chai, Hee-Byung, additional, Soejarto, Djaja D., additional, Fuchs, James R., additional, Yalowich, Jack C., additional, Yu, Jianhua, additional, Swanson, Steven M., additional, and Kinghorn, A. Douglas, additional

Published
2014
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74. Desolvation and Dehydrogenation of Solvated Magnesium Salts of Dodecahydrododecaborate: Relationship between Structure and Thermal Decomposition

Author

Chen, Xuenian, primary, Liu, Yi-Hsin, additional, Alexander, Anne-Marie, additional, Gallucci, Judith C., additional, Hwang, Son-Jong, additional, Lingam, Hima Kumar, additional, Huang, Zhenguo, additional, Wang, Cong, additional, Li, Huizhen, additional, Zhao, Qianyi, additional, Ozkan, Umit S., additional, Shore, Sheldon G., additional, and Zhao, Ji-Cheng, additional

Published
2014
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81. Anti and gauche conformers of an inorganic butane analogue, NH3BH2NH2BH3

Author

Chen, Xuenian, Gallucci, Judith C, Campana, Charles, Huang, Zhenguo, Lingam, Hima Kumar, Shore, Sheldon G, Zhao, Ji-Cheng, Chen, Xuenian, Gallucci, Judith C, Campana, Charles, Huang, Zhenguo, Lingam, Hima Kumar, Shore, Sheldon G, and Zhao, Ji-Cheng

Abstract

The crystal structures of an inorganic butane analogue, NH3BH2NH2BH3 (DDAB), were determined using single crystal X-ray diffraction, revealing both anti and gauche conformations. The anti conformation is stabilized by intermolecular dihydrogen bonds in the crystal whereas two gauche conformations of DDAB observed in its 18-crown-6 adducts are stabilized by an intramolecular dihydrogen bond. The two gauche conformations show rotational isomerization but whether they are a pair of enantiomers is yet to be defined.

Published
2012

82. Li2B12H12·7NH3: a new ammine complex for ammonia storage or indirect hydrogen storage

Author

Huang, Zhenguo, Gallucci, Judith C, Chen, Xuenian, Yisgedu, Teshome B, Lingam, Hima Kumar, Shore, Sheldon G, Zhao, Ji-Cheng, Huang, Zhenguo, Gallucci, Judith C, Chen, Xuenian, Yisgedu, Teshome B, Lingam, Hima Kumar, Shore, Sheldon G, and Zhao, Ji-Cheng

Abstract

A new ammine complex, Li2B12H12$7NH3, that can reversibly release all the NH3 at below 200oC and reabsorb NH3 at room temperature and 0.5 bar was synthesized and investigated for reversible ammonia storage or indirect hydrogen storage.

Published
2010

87. Preparation, X-ray crystallographic analysis, and stereoselective electrophilic capture of coordinatively isomeric exo-lithium complexes of isodicyclopentadiene

Author

Zaegel, Florence, Gallucci, Judith C., Meunier, Philippe, Gautheron, Bernard, Sivik, Mark R., and Paquette, Leo A.

Subjects
Heterocyclic compounds -- Research, X-rays -- Diffraction, Chemical reactions -- Analysis, Chemistry
Abstract

Lithium isodicyclopentadienide reacts with N,N,N', N'-tetramethylethylenediamine (TMEDA) in dry ether at -20 degrees C to form colorless (isodiCp)Li(TMEDA) crystals in 80% yield. X-ray diffraction analysis shows the exo position of Li(+) on the anion surface in coordination with two nitrogen atoms of TMEDA. Organometallic electrophiles and temperature influence the stereoselectivity of the reaction.

Published
1994

88. Pi-complexation in the solid state induced by intermolecular hydrogen bonding

Author

Beeson, John C., Fitzgerald, Lawrence J., Gallucci, Judith C., Gerkin, Roger E., Rademacher, Jude T., and Czarnik, Anthony W.

Subjects
Hydrogen bonding -- Analysis, Heterocyclic compounds -- Research, Chemistry
Abstract

Multiple amide hydrogen bonding favors pi-complexation in organic hexamides. Hexaazatriphenylene hexacarboxamide exhibits an intermolecular pi complexation due to noncovalent hydrogen bonding. X-ray analysis of the solid state pi-complexed dimers exhibit the occurrence of pi-stacking.

Published
1994

92. Molecular and electronic structures and photophysical properties of quadruply bonded dimetal complexes (M = Mo or W) supported by trans-arylethynylcarboxylate ligands where aryl = p-tolyl or 9-anthrancenyl

Author

Alberding, Brian G., primary, Brown-Xu, Samantha E., additional, Chisholm, Malcolm H., additional, Gallucci, Judith C., additional, Gustafson, Terry L., additional, Naseri, Vesal, additional, Reed, Carly R., additional, and Turro, Claudia, additional

Published
2012
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95. Crystal Structures and Human Leukemia Cell Apoptosis Inducible Activities of Parthenolide Analogues Isolated from Piptocoma rufescens

Author

Ren, Yulin, Gallucci, Judith C., Li, Xinxin, Chen, Lichao, Yu, Jianhua, and Kinghorn, A. Douglas

Abstract

The molecular structures of three parthenolide analogues, (−)-goyazensolide (1), (−)-15-deoxygoyazensolide (2), and (−)-ereglomerulide (3), isolated from the leaves of Piptocoma rufescensin a previous study were determined by X-ray analysis, and the absolute configuration of (−)-goyazensolide (1) was confirmed crystallographically using Cu Kα radiation at low temperature. Compounds 1–3, (+)-rufesolide A (4), and commercial parthenolide were found to be growth inhibitory toward MOLM-13 and EOL-1 human acute myeloid leukemia cells using PKC412 (midostaurin) as the positive control, with 1–3being more active than parthenolide. Also, compounds 1–4exhibited synergistic effects when tested with PKC412, but parthenolide did not show this type of activity. At a concentration lower than 2.0 μM, both 1and 2induced approximately 50% of the cells to become apoptotic at a late stage of the cell cycle, but no similar apoptotic effects were observed for 3, 4, or parthenolide. Leukemia cell apoptosis was induced by these compounds through the activation of caspase-3 and the inhibition of NF-κB, as indicated by immunoblotting analysis, and compounds 1and 2seem to be promising leads for development as potential antileukemic agents.

Published
2017
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96. An Intramolecular CAr-H...O=C Hydrogen Bond and the Configuration of Rotenoids.

Author

Ren, Yulin, Gallucci, Judith C., and Kinghorn, A. Douglas

Subjects
*CARBON, *CRYSTALLOGRAPHY, *HYDROGEN, *NUCLEAR magnetic resonance spectroscopy, *ORGANIC compounds, *PLANT extracts, *ISOFLAVONES
Abstract

Over the past half a century, the structure and configuration of the rotenoids, a group of natural products showing multiple promising bioactivities, have been established by interpretation of their NMR and electronic circular dichroism spectra and confirmed by analysis of single-crystal X-ray diffraction data. The chemical shift of the H-6' ¹H NMR resonance has been found to be an indicator of either a cis or trans C/D ring system. In the present study, four structures representing the central rings of a cis-, a trans-, a dehydro-, and an oxadehydrorotenoid have been plotted using the Mercury program based on X-ray crystal structures reported previously, with the conformations of the C/D ring system, the local bond lengths or interatomic distances, hydrogen bond angles, and the H-6' chemical shift of these compounds presented. It is shown for the first time that a trans-fused C/D ring systemof rotenoids is preferred for the formation of a potential intramolecular C6'-H6'...O=C4 H-bond, and that such H-bonding results in the ¹H NMR resonance for H-6' being shifted downfield. [ABSTRACT FROM AUTHOR]

Published
2017
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