amide/dental caries

A series of quinoxaline cavitands bearing pendant amide groups with various substituent sizes (Et, ⁱPr, ^tBu) were synthesized, and their cavity size/structure were investigated by X-ray and NMR analyses. In the case of the Et or ⁱPr amide cavitand, the conformation

In this work, we present a setup for mid-IR measurements of the protein amide I and amide II bands in aqueous solution. Employing a latest generation external cavity-quantum cascade laser (EC-QCL) at room temperature in pulsed operation mode allowed implementing a high optical path length of 31 μm

In this work, we illustrated a novel design strategy that allows systematically tunable interior properties (effective cavity size, steric crowdedness, and hydrophobicity) contained within a novel class of shape-persistent aromatic pentamers to take place on a scale below 3 A. Such finely tunable

Unlike previous members of the inverse crown family, which are heterobimetallic and have cationic rings surrounding anionic cores, the title compound is heterotrimetallic and its "guest" anion is intramolecularly stitched into the complex fused-ring structure of its cationic "host".

The amides of Leu5-enkephalin, Met5-enkephalin, and three analogues, D-Ala2,Leu5-enkephalin, (AcO)Tyr1,Met5-enkephalin, and (AcO)Tyr1,D-Ala2,Met5-enkephalin, have been studied by means of 1H NMR spectroscopy in two different solvent systems: Me2SO-d6 and CDCl3. In the latter solvent the peptides

Dental caries, starting from demineralization of enamel and dentine, is closely related with acid-producing bacteria in oral cavity, for example, Streptococcus mutans. Remineralization is an efficient way to prevent the disease progression and facilitate the therapy of incipient caries. Therefore,

The gamma-deprotonation of a samarium(III) bis(trimethylsilyl)amide complex derived from a dimetallated trans-dioxaporphyrinogen has been achieved through stabilisation of the counter cation within the macrocyclic cavity.

NMR techniques have been used to characterise the effects of a lipid-like post-translational modification on barley lipid transfer protein (LTP1b). NMR chemical shift data indicate that the lipid-like molecule lies in the hydrophobic cavity of LTP1b, with Tyr 79 being displaced to accommodate the

In this work, we report mid-IR transmission measurements of the protein amide I band in aqueous solution at large optical paths. A tunable external-cavity quantum cascade laser (EC-QCL) operated in pulsed mode at room temperature allowed one to apply a path length of up to 38 μm, which is four times

The kinetics of hydrogen exchange of pike a-parvalbumin was investigated using the method of infrared spectroscopy (sensitive to the amide hydrogen atoms in the peptide) and radioisotope method (sensitive to all labile hydrogen atoms). Ultraslow exchangeable hydrogen atoms were found to be

The met-cyano complex of elephant myoglobin has been investigated by high field 1H NMR spectroscopy, with special emphasis on the use of exchangeable proton resonances in the heme cavity to obtain structural information on the distal glutamine. Analysis of the distance dependence of relaxation rates

The Leu99-->Ala mutant of T4 lysozyme contains a large internal cavity in the core of its C-terminal domain that is capable of reversibly binding small hydrophobic compounds. Although the cavity is completely buried, molecules such as benzene or xenon can exchange rapidly in and out. The dynamics of

OBJECTIVE This study aimed to evaluate the effect of fluoridated dentifrice (FD) and mouthwash (FM) under different treatment regimens on root caries (RC) inhibition. METHODS Dual-species biofilms formed by Streptococcus mutans and Lactobacillus casei were grown on the surface of bovine root dentine

Internal cavities are important elements in protein structure, dynamics, stability and function. Here we use NMR spectroscopy to investigate the binding of molecular oxygen (O2) to cavities in a well-studied model for ligand binding, the L99A mutant of T4 lysozyme. On increasing the O2 concentration

A new pH-dependent off-resonance ROESY-HSQC experiment has been used to characterize the degree of protection of the amide protons of cryptogein, a protein of the elicitin family, against solvent exchange. The study of the pH dependence of solvent-shielded amide protons in this protein reveals that