Deposits in the lungs of Kwädąy Dän Ts'ìnchį man: Characterization by a combination of analytical microscopical methods.

Objectives: The approximately 250 years old remains of the Kwädąy Dän Ts'ìnchį man were found in a glacier in Canada. Studying the state of preservation of the corpse, we observed black deposits in his lung. Following this observation we wanted to determine: (1) location of the deposits in the lung tissue, (2) composition and origins of the deposits.

Using Raman spectroscopy to assess hemoglobin oxygenation in red blood cell concentrate: an objective proxy for morphological index to gauge the quality of stored blood?

Blood banking is an essential aspect of modern medical care. When red blood cells (RBCs) are stored, they become damaged by various chemical processes, such as accumulation of their own waste products and oxidative injury, among others. These processes lead to the development of the RBC storage lesion, a complex condition where the severity is reflected through the morphology of the stored cells.

Raman Spectroscopy of Blood and Blood Components.

Blood is a bodily fluid that is vital for a number of life functions in animals. To a first approximation, blood is a mildly alkaline aqueous fluid (plasma) in which a large number of free-floating red cells (erythrocytes), white cells (leucocytes), and platelets are suspended. The primary function of blood is to transport oxygen from the lungs to all the cells of the body and move carbon dioxide in the return direction after it is produced by the cells' metabolism.

Raman spectroscopy as a novel tool for monitoring biochemical changes and inter-donor variability in stored red blood cell units.

Individual units of donated red blood cells (RBCs) do not ordinarily undergo analytical testing prior to transfusion. This study establishes the utility of Raman spectroscopy for analyzing the biochemistry of stored RBC supernatant and reveals interesting storage-related changes about the accumulation of lactate, a chemical species that may be harmful to certain patients. The data show measurable variations in supernatant composition and demonstrate that some units of donated RBCs accumulate lactate much more readily than others.

Fully automated decomposition of Raman spectra into individual Pearson's type VII distributions applied to biological and biomedical samples.

Rapid technological advances have made the acquisition of large numbers of spectra not only feasible, but also routine. As a result, a significant research effort is focused on semi-automated and fully automated spectral processing techniques. However, the need to provide initial estimates of the number of peaks, their band shapes, and the initial parameters of these bands presents an obstacle to the full automation of peak fitting and its incorporation into fully automated spectral-preprocessing workflows.

Structures of bare and hydrated [Pb(aminoacid-H)]+ complexes using infrared multiple photon dissociation spectroscopy.

Infrared multiple-photon dissociation (IRMPD) spectroscopy was used to determine the gas-phase structures of deprotonated Pb(2+)/amino acid (Aa) complexes with and without a solvent molecule present. Five amino acid complexes with side chains containing only carbon and hydrogen (Ala, Val, Leu, Ile, Pro) and one with a basic side chain (Lys) were compared. These experiments demonstrated that all [Pb(Aa-H)](+) complexes have Pb(2+) covalently bound between the amine nitrogen and carbonyl oxygen.

Absolute quantification of intracellular glycogen content in human embryonic stem cells with Raman microspectroscopy.

We present a method to perform absolute quantification of glycogen in human embryonic stem cells (hESCs) in situ based on the use of Raman microspectroscopy. The proposed quantification method was validated by comparison to a commonly used commercial glycogen assay kit. With Raman microspectroscopy, we could obtain the glycogen content of hESCs faster and apparently more accurately than with the kit.

Structure of [Pb(Gly-H)]+ and the monosolvated water and methanol solvated species by infrared multiple-photon dissociation spectroscopy, energy-resolved collision-induced dissociation, and electronic structure calculations.

Infrared multiple-photon dissociation (IRMPD) spectroscopy, collision-induced dissociation mass spectrometry, and theoretical calculations are combined to provide new insights into the structure and dissociation of lead(II) complexed with the conjugate acid of the amino acid glycine ([Pb(Gly-H)](+)) in the presence and absence of solvent. Unexpectedly, these experiments show the main site of lead(II) coordination to be the deprotonated amino group of glycine, with additional coordination to the carbonyl group. In such a structure lead(II) can act as an effective conduit for proton/hydrogen shifts, making H(2)O loss competitive with that of CO in the [Pb(Gly-H)](+) complex and leading to solvent deprotonation and formation of [PbOR(Gly)](+) (R = H, CH(3)) ions when solvent is present in the complex.

Effects of isomerization on the measured thermochemical properties of deprotonated glycine/protic-solvent clusters.

The thermochemical properties associated with the formation of an isomeric distribution of ROHNH(2)CH(2)COO(-) clusters (R=H, CH(3), C(2)H(5)) are measured by using high-pressure mass spectrometry. A comparison of the measured properties with calculated values provides new insights into the thermochemical effects arising from the isomeric nature of this clustering system. When the distribution of isomers is correctly accounted for, the measured values of DeltaH degrees , DeltaS degrees , and DeltaG degrees (298) consistently agree, to a very high degree of accuracy, with those predicted by MP2(full)/6-311++G(d,p)//B3LYP/6-311++G(d,p) calculations.

Infrared multiple photon dissociation spectra of proton- and sodium ion-bound glycine dimers in the N-H and O-H stretching region.

The proton- and the sodium ion-bound glycine homodimers are studied by a combination of infrared multiple photon dissociation (IRMPD) spectroscopy in the N-H and O-H stretching region and electronic structure calculations. For the proton-bound glycine dimer, in the region above 3100 cm (-1), the present spectrum agrees well with one recorded previously. The present work also reveals a weak, broad absorption spanning the region from 2650 to 3300 cm (-1).