Assignment of protonated R-homocitrate in extracted FeMo-cofactor of nitrogenase via vibrational circular dichroism spectroscopies.

Protonation of FeMo-cofactor is important for the process of substrate hydrogenation. Its structure has been clarified as Δ-Mo*Fe7S9C(R-homocit*)(cys)(Hhis) for the efforts of nearly 30 years, while it remains controversial whether FeMo-cofactor is protonated or deprotonated with chelated ≡C-O(H) homocitrate. We have used protonated molybdenum(V) lactates 1 and its enantiomer as model compounds for R-homocitrate in FeMo-cofactor of nitrogenase. Vibrational circular dichroism (VCD) spectrum of 1 at 1051 cm-1 is attributed to ≡C-OH vibration, and molybdenum(VI) R-lactate at 1086 cm-1 is assigned as ≡C-O α-alkoxy vibration. These vibrations set up labels for the protonation state of coordinated α-hydroxycarboxylates. The characteristic VCD band of NMF-extracted FeMo-cofactor is assigned to ν(C-OH), which is based on the comparison of molybdenum(VI) R-homocitrate. Density Functional Theory calculations are in consistent with these assignments. To the best of our knowledge, this is the first time that protonated R-homocitrate in FeMo-cofactor is confirmed by VCD spectra.

Two new compounds from cultures of the basidiomycete Antrodiella albocinnamomea.

A new linear triterpene (1), and a new sesquiterpene (2), together with a known compound methyl indole-3-carboxylate (3) were isolated from the crude extract of Antrodiella albocinnamomea. The structures of the new compounds 1-2 were determined by comprehensive spectroscopic analysis. Compound 1 exhibited significant inhibitory activities against protein tyrosine phosphatase 1B (PTP1B) with IC50 value of 1.0 µg/mL.

Morphological and spectroscopic measurements of plastic bags for the purpose of discrimination.

The discrimination of noncolored transparent polyethylene bags was studied by several nondestructive and semidestructive analytical methods. X-ray diffraction, infrared spectroscopy, and optical microscopy (differential interference contrast microscopy and phase contrast microscopy) were applied to polyethylene films. X-ray diffraction was used to distinguish variations in the crystalline phase, infrared spectroscopy was used to distinguish variations in the molecular components, and optical microscopy was used to distinguish the different surface morphologies. The results show that X-ray diffraction classifies the crystalline phase of the film depending on whether it is made from low-density polyethylene, linear low-density polyethylene, or high-density polyethylene; that infrared spectroscopy is useful to distinguish the molecular components and it is the most discriminating technique; and that optical microscopy discriminate films easily by their morphological differences.