Publications associées à Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(IV) adducts

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Ultraviolet photodissociation (UVPD) and IR–UV double-resonance spectroscopy are performed for bare and microhydrated complexes of Mn2+(benzo-15-crown-5), Mn2+(B15C5)(H2O)n (n = 0–2), under cold (∼10 K) gas-phase conditions. Density functional theory (DFT) ...

2019

alpha-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity

Paul Joseph Dyson, Lucinda Kate Batchelor, Silvia Schoch

The Pt(ii) -diimine complexes [PtCl2{N-2-(HCNR)(2)}] (R = C6H11, 1; 4-C6H10OH, 2; 4-C6H4CH3, 3; 4-C6H4OH, 4) and [PtCl2{N-2-(CH3CNOH)(2)}] (5) were prepared in 60-81% yields from the 1:1 molar reactions of cis-[PtCl2(DMSO)(2)] with the appropriate -diimine ...

ROYAL SOC CHEMISTRY2018

Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies

Paul Joseph Dyson, Lucinda Kate Batchelor

The carbonic anhydrase inhibitor acetazolamide (AcmH2) reacted with [(η6-p-cymene)RuCl(μ-Cl)]2 to afford [(η6-p-cymene)RuCl2(κN-AcmH2)], 1A, in near-quantitative yield. In methanol, 1A exists in equilibrium with 1B, being probably a coordination isomer, as ...

2018

Sampling and Energy Evaluation Challenges in Ligand Binding Protein Design

Kai Johnsson, Alberto Schena

The steroid hormone 17α-hydroxylprogesterone (17-OHP) is a biomarker for congenital adrenal hyperplasia and hence there is considerable interest in sensor development towards this compound. We used computational protein design to generate protein models wi ...

Cold Spring Harbor Laboratory Press2017

Hg(II) coordination complexes containing the tris(2-pyridylmethyl) amine ligand: Synthesis, characterization and crystal structure analysis

Kurt Schenk, Farzaneh Fadaei Tirani

Two new Hg(II) coordination compounds containing the tris(2-pyridylmethyl)amine (TPA) ligand were synthesized by conventional and sonochemical methods, characterized by spectroscopic techniques (FT-IR and elemental analysis) and their X-ray crystallographi ...

Elsevier2016

Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands

Rosario Scopelliti, Kay Severin, Kurt Schenk, Philip Pattison, Euro Solari, Mathieu Jérémie Marmier, Matthew David Wise

Polycarboxylate ligands are among the most important building blocks for the synthesis of metal–organic frameworks (MOFs). The ability to access these ligands in an efficient way is of key importance for future applications of MOFs. Here, we demonstrate th ...

Amer Chemical Soc2016

X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair

Maria Josefina Marcaida Lopez

DNA duplexes containing unnatural base-pair surrogates are attractive biomolecular nanomaterials with potentially beneficial photophysical or electronic properties. Herein we report the first X-ray structure of a duplex containing a phen-pair in the center ...

Royal Soc Chemistry2016

Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

Andrew Francis Dalebrook

Regioselective electrophilic substitution reactions of the iridabenzofurans [Ir(C7H5O{OMe-7})(CO)(PPh3)(2)]-[OTf] (1) and IrCl(C7H5O{OMe-7})(PPh3)(2) (2) provide a convenient route to mononitro-, dinitro-, and mixed nitro-/halo- substituted derivatives. Tr ...

Amer Chemical Soc2016

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Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(IV) adducts

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te

alpha-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity

Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies

Sampling and Energy Evaluation Challenges in Ligand Binding Protein Design

Hg(II) coordination complexes containing the tris(2-pyridylmethyl) amine ligand: Synthesis, characterization and crystal structure analysis

Unraveling the weak hydrogen bonds of ethynylpyridines and ethynylbenzene with trimethylphosphate - A combined FT-Raman spectroscopic and quantum-chemical study

Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands

X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair

Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

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Hg(II) coordination complexes containing the tris(2-pyridylmethyl) amine ligand: Synthesis, characterization and crystal structure analysis

Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies

Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands

Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

A complete series of uranium(iv) complexes with terminal hydrochalcogenido (EH) and chalcogenido (E) ligands E = O, S, Se, Te

alpha-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity

Sampling and Energy Evaluation Challenges in Ligand Binding Protein Design

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2

Unraveling the weak hydrogen bonds of ethynylpyridines and ethynylbenzene with trimethylphosphate - A combined FT-Raman spectroscopic and quantum-chemical study

X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair