A simple, rapid and environmentally friendly method was developed for micro-Raman spectroscopy determination of pesticide residues on the surface of fruits. Raman spectra of fruits, pesticides and pericarps sprayed by pesticide solutions were acquired using a laser power of 14 mW at excitation wavelength of 780 nm. From the Raman spectra, the residual pesticides could be distinguished and deter...

A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra of blood serum samples from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. Spectra were measured by means of a Raman confocal microspectrometer apparatus us...

We describe the calculation of Raman spectra for periodic systems via ab initio molecular dynamics (AIMD) utilizing the Gaussian and plane wave method in the program package CP2K. The electric-dipole-electric-dipole polarizability tensor has been implemented for an arbitrary shape of the simulation cell. In addition, a computationally efficient approach for its decomposition into local contribu...

BACKGROUND Several changes occur during the transformation of normal tissue to neoplastic tissue. Such changes in molecular composition can be detected by Raman spectroscopy. Raman spectroscopy is a nondestructive method of measuring these changes, which suggests the possibility of real-time diagnosis during medical procedures. METHODS This study seeks to evaluate the ability of Raman spectra...

A B S T R ACT : Infrared (IR) spectra of well-ordered kaolinites generally show four OH-stretching frequencies, near 3697, 3670, 3652 and 3620 cm i. Raman spectra of the same kaolinites mostly show an additional band near 3686 cm-~, which, in the coarsely crystalline Keokuk kaolinite, largely replaces the 3695 cm-I band. It is shown that the 3686 cm ~ band can be ascribed to a transverse optica...

Raman and infrared spectroscopy has been used to study the structure of selected vanadates including pascoite, huemulite, barnesite, hewettite, metahewettite, hummerite. Pascoite, rauvite and huemulite are examples of simple salts involving the decavanadates anion (V10O28). Decavanadate consists of four distinct VO6 units which are reflected in Raman bands at the higher wavenumbers. The Raman s...

We present the Raman spectra for [n]Cycloparaphenylenes ([n]CPPs) of different sizes. A plethora of Raman modes are observed in these spectra, including modes that are analogous to those of the carbon nanotubes (CNTs) such as G-band, as well as Raman peaks that are unique for carbon nanohoops. In addition, we have calculated the theoretical Raman spectra of [n]CPPs for n = 4–20 using density fu...

[1] The Deep Ocean Raman In Situ Spectrometer (DORISS) instrument was deployed at the Sea Cliff Hydrothermal Field and Hydrate Ridge in July 2004. The first in situ Raman spectra of hydrothermal minerals, fluids, and bacterial mats were obtained. These spectra were analyzed and compared to laboratory Raman measurements of standards and samples collected from the site. Spectra of vent fluid ( 29...

Vibrational spectroscopy has continued use as a powerful tool to characterize ionic liquids since the literature on room temperature molten salts experienced the rapid increase in number of publications in the 1990's. In the past years, infrared (IR) and Raman spectroscopies have provided insights on ionic interactions and the resulting liquid structure in ionic liquids. A large body of informa...