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A resonance Raman enhancement mechanism for axial vibrational modes in the pyridine adduct of myoglobin proximal cavity mutant (H93G).

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The proximal cavity mutant of myoglobin consists of a mutation of the proximal histidine to glycine (H93G), which permits exogenous ligands to bind to the heme iron. A non-native pyridine ligand can ligate to the heme to yield a five-coordinate adduct, H93G(Pyr), that cannot be formed freely in

Highly selective recognition of diols by a self-regulating fine-tunable methylazacalix[4]pyridine cavity: guest-dependent formation of molecular-sandwich and molecular-capsule complexes in solution and the solid state.

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The molecular recognition of methylazacalix[4]pyridine (MACP-4; 1) towards various diols was investigated by using (1)H NMR spectroscopic and X-ray diffraction analysis. As a unique macrocyclic host molecule that undergoes conformational inversions very rapidly in solution, MACP-4 has been shown to

Bis(4-[N,N-bis(2-cyanoethyl)amino]pyridine-kappaN(1))silver(I) perchlorate, with the perchlorate anion located in the cation cavity.

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The title complex, bis[3,3'-(pyridine-4-imino-kappaN(1))dipropanenitrile]silver(I) perchlorate, [Ag(CEAP)(2)]ClO(4) (CEAP is 4-[N,N-bis(2-cyanoethyl)amino]pyridine, C(11)H(12)N(4)), has been prepared and characterized. The unit cell consists of two crystallographically non-equivalent molecules.

Synthesis of helical π-conjugated polymers bearing pyridine N-oxide pendants and asymmetric allylation of aldehydes in the helical cavity.

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Catalytically active chiral π-conjugated polymers (poly-1(NO)r) bearing pyridine N-oxide pendants were synthesized by ternary copolymerization of a d-glucose-bound diethynyl compound with two types of thieno[3,4-b]thiophene comonomer, one of which contained a pyridine N-oxide group. When the

The presence of an aqueous cavity in the proton-pumping pathway of the pyridine nucleotide transhydrogenase of Escherichia coli is suggested by the reaction of the enzyme with sulfhydryl inhibitors.

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The pyridine nucleotide transhydrogenase of Escherichia coli carries out transmembrane proton translocation coupled to transfer of a hydride ion equivalent between NAD(+) and NADP(+). The membrane domain (domain II) of the enzyme is composed of 13 transmembrane helices. Previous studies (N. A.

Visible-Near-Infrared Range Whispering Gallery Resonance from Photonic μ-Sphere Cavities Self-Assembled from a Blend of Polystyrene and Poly[4,7-bis(3-octylthiophene-2-yl)benzothiadiazole-co-2,6-bis(pyrazolyl)pyridine] Coordinated to Tb(acac)3.

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A novel red emitting copolymer (P1) was prepared (Mn ∼ 10.7 kDa) by copolymerizing tridentate ligand, namely 2,6-bis(pyrazolyl)pyridine (BPP) with 4,7-bis(2-ethynyl-5-thienyl)-2,1,3-benzothiadiazole. This copolymer readily formed an orange yellow emitting metal containing conjugated polymer (P1.Tb)

A Benefit of Using the IDSCRF- over UFF-Radii Cavities and Why Joint Correlations of NMR Chemical Shifts Can Be Advantageous: Condensed Pyridines as an IEF-PCM/GIAO/DFT Case Study.

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Herein, an advantage of the use of IDSCRF- over UFF-radii-based solute cavities in GIAO/DFT calculations is presented for the 13C and especially 15N NMR chemical shifts made for several bicyclic aromatic nitrogen heterocycles in CDCl3 solution treated within the classical IEF-PCM solvation scheme.

Strong induced-fit binding of viologen and pyridine derivatives in adjustable porphyrin cavities.

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The synthesis and binding properties of new porphyrin cage compounds consisting of a rigid diphenylglycoluril part, which is connected via flexible bis(ethyleneoxy) spacers to a (metallo)porphyrin "roof", are reported. Binding of viologen guests and pyridine ligands in these porphyrin cages are

A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual O,N,O-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.

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A series of tri- and dimetallic metal complexes of pyridine dicarboxamide cryptates are reported in which changes to the base and metal source result in diverse structure types. Addition of strong bases, such as KH or KN(SiMe3)2, followed by divalent metal halides allows direct access to trinuclear

Synthesis, characterization, and X-ray crystal structures of cyclam derivatives. 5. Copper(II) binding studies of a pyridine-strapped 5,12-dioxocyclam-based macrobicycle.

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The copper(II) binding properties of the macrobicyclic diamide 1,9,12,18,22-pentaazatricyclo[7.6.6.1(3,7)]docosa-3,5,7(22)-triene-13,19-dione (L1) have been fully investigated by spectroscopic (IR, UV-vis, EPR, MALDI-TOF MS), X-ray diffraction, potentiometric, electrochemical, and

Synthetic Ionophores. 13. Pyridine-Diamide-Diester Receptors: Remarkable Effect of Amide Substituents on Molecular Organization and Ag(+) Selectivity.

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The N(Py).HN(amide) hydrogen bonding within the macrocyclic cavities in 9, 10, and 13 invokes their symmetrical electron-deficient structures ((1)H NMR) and consequently bind with water. This results in their poor ionophore characters. The steric requirement of methyl/benzyl substituents on amide N

Protonated macrobicyclic hosts containing pyridine head units for anion recognition.

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In this paper, we report two macrobicyclic receptors containing pyridine head units derived from 1,10-diaza-15-crown[5] (L1) or 4,13-diaza-18-crown[6] (L2) that can be protonated in MeCN and used for anion recognition. The interaction of these protonated lateral macrobicycles with different anions

Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity.

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This work illustrates the highly selective fluorescence detection of ATP in the presence of other competing anions, such as AMP, ADP, PPi and other phosphates by using a set of hydroxide-bridged dizinc(ii) complexes offering a cavity lined with hydrogen bonds and other interactive forces. ATP, as a

catena-Poly[[[bis-(4-pyridine-aldoxime-κN (1))zinc]-μ-benzene-1,4-dicarboxyl-ato-κ(2) O (1):O (4)] 4-pyridine-aldoxime monosolvate].

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In the title compound, {[Zn(C8H4O4)(C6H6N2O)2]·C6H6N2O} n , the Zn(II) ion exhibits a tetra-hedral coordination environment defined by two benzene-1,4-dicarboxylate dianions and two 4-pyridinealdoxime ligands. The dianions bridge the Zn(II) ions, giving a zigzag chain along the b axis. Adjacent

One-pot formation of large macrocycles with modifiable peripheries and internal cavities.

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The shape of things to come: Aromatic oligohydrazide macrocycles with planar backbones enforced by three-center hydrogen bonds are formed in high yield from monomeric diacid chlorides and dihydrazides. Macrocycles consisting of six meta-linked pyridine and benzene residues have an internal cavity of

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