John Caradonna - Academia.edu (original) (raw)

Papers by John Caradonna

Research paper thumbnail of CCDC 740115: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740113: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740111: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740110: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740108: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 829866: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 829864: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740114: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of Catalytic oxidation of hydrocarbons by dinuclear iron complexes

Research paper thumbnail of NMR Structure of a Zinc Finger Domain from Transcription Factor SP1F2, Minimized Average Structure

Research paper thumbnail of Catalytic oxidation of hydrocarbons by dinuclear iron complexes. Progress report

Research paper thumbnail of ChemInform Abstract: THE ANTITUMOR DRUG CIS-DICHLORODIAMMINEPLATINUM FORMS AN INTRASTRAND D(GPG) CROSSLINK UPON REACTION WITH (D(APGPGPCPCPT))2

Chemischer Informationsdienst, Jan 25, 1983

Research paper thumbnail of Solution and solid state studies on the interactions of protonated cytosine salts. I. Influence of anions on 1H nmr spectra and degree of protonation in mixtures of protonated and unprotonated cytosine and derivatives

Advances in Molecular Relaxation and Interaction Processes, Aug 1, 1979

Abstract Structural and spectroscopic data are presented on the compound 1-methylcytosine hemihyd... more Abstract Structural and spectroscopic data are presented on the compound 1-methylcytosine hemihydroiodide hemihydrate. In the solid, a 1:1 triply hydrogenbonded complex consisting of one protonated and one neutral 1-methylcytosine base is observed. The hydrogen bonding in this complex is asymmetric, and the asymmetry in the interbase hydrogen bonding is stimulated, at least in part, by base stacking considerations. The hydrogen-bonded base pairs associate into dimers about a crystallographic center of symmetry; the base-base stacking mode is strong [mean stacking distance = 3.22A] and is such that the molecular overlap is between protonated and neutral 1-methylcytosine molecules. The asymmetric, interbase hydrogen bonding and the protonated over neutral base stacking mode coexist in a synergistic interrelationship which maximizes molecular association and crystal packing. Intermolecular hydrogen bonds involving the 1-methylcytosine bases, the water of crystallization and the iodide anion also contribute to the overall crystal stability. Infra-red and 1H nmr data are also presented.

Research paper thumbnail of Solution and solid state studies on the interactions of protonated cytosine salts. II. Interpyrimidine hydrogen bonding versus cation-anion stacking in the crystal structures of protonated 1-methylcytosine perchlorate and protonated 1-benzylcytosine nitrate

Advances in Molecular Relaxation and Interaction Processes, Aug 1, 1979

Abstract The structural properties of the salts protonated 1-methylcytosine perchlorate and proto... more Abstract The structural properties of the salts protonated 1-methylcytosine perchlorate and protonated 1benzylcytosine nitrate are reported. In each of the salts, it has been definitively established that N(3) of the cytosine ring is the site of protonation. Cation-anion hydrogen-bonding interactions of the type seen in the hydrohalide salts of protonated, N(1)-substituted cytosine derivatives are also observed to some extent in these systems. In addition, the stability of both these salts depends on other factors. In particular, the interpyrimidine hydrogen bonding in the perchlorate salt is very strong and observed here for the first time. Cation-anion stacking forces in the nitrate salt are vital to the observed crystal packing.

Research paper thumbnail of X-ray Absorption Spectroscopic Investigation of the Resting Ferrous and Cosubstrate-Bound Active Sites of Phenylalanine Hydroxylase

Biochemistry, Apr 25, 2002

ABSTRACT

Research paper thumbnail of ChemInform Abstract: NUCLEOSIDE COMPLEXING. A RAMAN AND CARBON-13 NMR SPECTROSCOPIC STUDY OF THE BINDING OF HARD AND SOFT METAL SPECIES

Chemischer Informationsdienst, May 6, 1980

Research paper thumbnail of ChemInform Abstract: METAL ION BINDING TO CYTIDINE IN SOLUTION. COMPELLING RAMAN AND CARBON-13 NUCLEAR MAGNETIC RESONANCE SPECTRAL EVIDENCE FOR COORDINATION TO THE EXOCYCLIC OXYGEN AT POSITION 2

Chemischer Informationsdienst, Sep 19, 1978

Research paper thumbnail of ChemInform Abstract: Kinetics, Mechanisms, and Catalysis of Oxygen Atom Transfer Reactions of S-Oxide and Pyridine N-Oxide Substrates with Molybdenum(IV,VI) Complexes: Relevance to Molybdoenzymes

Research paper thumbnail of Chemical and Biological Studies of cis — Diamminedichloroplatinum (II) Binding to DNA

Platinum Coordination Complexes in Cancer Chemotherapy, 1984

Over a decade has passed since the initial observation that neutral platinum amine coordination c... more Over a decade has passed since the initial observation that neutral platinum amine coordination compounds with cis configuration of labile groups were effective chemotherapeutic agents.1 Subsequent studies built a strong case that DNA is the relevant biological target of these complexes.2,3 Substantial effort has therefore been directed towards defining and characterizing the interactions of cis-Pt(NH3)2Cl2 (cis-DDP) and the inactive trans-Pt(NH3)2Cl2 (trans-DDP),4 the structures of which are shown in Figure 1, with DNA at the molecular level.

Research paper thumbnail of Design, construction and analysis of new metal binding sites in proteins of known structure

Journal of Inorganic Biochemistry, 1993

Research paper thumbnail of CCDC 740115: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740113: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740111: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740110: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740108: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 829866: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 829864: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of CCDC 740114: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of Catalytic oxidation of hydrocarbons by dinuclear iron complexes

Research paper thumbnail of NMR Structure of a Zinc Finger Domain from Transcription Factor SP1F2, Minimized Average Structure

Research paper thumbnail of Catalytic oxidation of hydrocarbons by dinuclear iron complexes. Progress report

Research paper thumbnail of ChemInform Abstract: THE ANTITUMOR DRUG CIS-DICHLORODIAMMINEPLATINUM FORMS AN INTRASTRAND D(GPG) CROSSLINK UPON REACTION WITH (D(APGPGPCPCPT))2

Chemischer Informationsdienst, Jan 25, 1983

Research paper thumbnail of Solution and solid state studies on the interactions of protonated cytosine salts. I. Influence of anions on 1H nmr spectra and degree of protonation in mixtures of protonated and unprotonated cytosine and derivatives

Advances in Molecular Relaxation and Interaction Processes, Aug 1, 1979

Abstract Structural and spectroscopic data are presented on the compound 1-methylcytosine hemihyd... more Abstract Structural and spectroscopic data are presented on the compound 1-methylcytosine hemihydroiodide hemihydrate. In the solid, a 1:1 triply hydrogenbonded complex consisting of one protonated and one neutral 1-methylcytosine base is observed. The hydrogen bonding in this complex is asymmetric, and the asymmetry in the interbase hydrogen bonding is stimulated, at least in part, by base stacking considerations. The hydrogen-bonded base pairs associate into dimers about a crystallographic center of symmetry; the base-base stacking mode is strong [mean stacking distance = 3.22A] and is such that the molecular overlap is between protonated and neutral 1-methylcytosine molecules. The asymmetric, interbase hydrogen bonding and the protonated over neutral base stacking mode coexist in a synergistic interrelationship which maximizes molecular association and crystal packing. Intermolecular hydrogen bonds involving the 1-methylcytosine bases, the water of crystallization and the iodide anion also contribute to the overall crystal stability. Infra-red and 1H nmr data are also presented.

Research paper thumbnail of Solution and solid state studies on the interactions of protonated cytosine salts. II. Interpyrimidine hydrogen bonding versus cation-anion stacking in the crystal structures of protonated 1-methylcytosine perchlorate and protonated 1-benzylcytosine nitrate

Advances in Molecular Relaxation and Interaction Processes, Aug 1, 1979

Abstract The structural properties of the salts protonated 1-methylcytosine perchlorate and proto... more Abstract The structural properties of the salts protonated 1-methylcytosine perchlorate and protonated 1benzylcytosine nitrate are reported. In each of the salts, it has been definitively established that N(3) of the cytosine ring is the site of protonation. Cation-anion hydrogen-bonding interactions of the type seen in the hydrohalide salts of protonated, N(1)-substituted cytosine derivatives are also observed to some extent in these systems. In addition, the stability of both these salts depends on other factors. In particular, the interpyrimidine hydrogen bonding in the perchlorate salt is very strong and observed here for the first time. Cation-anion stacking forces in the nitrate salt are vital to the observed crystal packing.

Research paper thumbnail of X-ray Absorption Spectroscopic Investigation of the Resting Ferrous and Cosubstrate-Bound Active Sites of Phenylalanine Hydroxylase

Biochemistry, Apr 25, 2002

ABSTRACT

Research paper thumbnail of ChemInform Abstract: NUCLEOSIDE COMPLEXING. A RAMAN AND CARBON-13 NMR SPECTROSCOPIC STUDY OF THE BINDING OF HARD AND SOFT METAL SPECIES

Chemischer Informationsdienst, May 6, 1980

Research paper thumbnail of ChemInform Abstract: METAL ION BINDING TO CYTIDINE IN SOLUTION. COMPELLING RAMAN AND CARBON-13 NUCLEAR MAGNETIC RESONANCE SPECTRAL EVIDENCE FOR COORDINATION TO THE EXOCYCLIC OXYGEN AT POSITION 2

Chemischer Informationsdienst, Sep 19, 1978

Research paper thumbnail of ChemInform Abstract: Kinetics, Mechanisms, and Catalysis of Oxygen Atom Transfer Reactions of S-Oxide and Pyridine N-Oxide Substrates with Molybdenum(IV,VI) Complexes: Relevance to Molybdoenzymes

Research paper thumbnail of Chemical and Biological Studies of cis — Diamminedichloroplatinum (II) Binding to DNA

Platinum Coordination Complexes in Cancer Chemotherapy, 1984

Over a decade has passed since the initial observation that neutral platinum amine coordination c... more Over a decade has passed since the initial observation that neutral platinum amine coordination compounds with cis configuration of labile groups were effective chemotherapeutic agents.1 Subsequent studies built a strong case that DNA is the relevant biological target of these complexes.2,3 Substantial effort has therefore been directed towards defining and characterizing the interactions of cis-Pt(NH3)2Cl2 (cis-DDP) and the inactive trans-Pt(NH3)2Cl2 (trans-DDP),4 the structures of which are shown in Figure 1, with DNA at the molecular level.

Research paper thumbnail of Design, construction and analysis of new metal binding sites in proteins of known structure

Journal of Inorganic Biochemistry, 1993