In the present work, we reported a combined experimental and theoretical study on molecular structure and vibrational analysis of N-phenylethanolamine (NPEA). FT-IR and FT-Raman spectra of the title compound in the solid phase are recorded in the region 4000–400 cm and 3500–100 cm, respectively. The structural and spectroscopic data of the molecule in the ground state is calculated using densit...

MOTIVATION Controlled vocabularies such as the Medical Subject Headings (MeSH) thesaurus and the Gene Ontology (GO) provide an efficient way of accessing and organizing biomedical information by reducing the ambiguity inherent to free-text data. Different methods of automating the assignment of MeSH concepts have been proposed to replace manual annotation, but they are either limited to a small...

Infrared (IR) and Raman spectra of a sphingomyelin (SM) bilayer have been calculated for the amide I, II and A modes and the double-bonded CC stretching mode by a weight averaged approach, based on an all-atom molecular dynamics (MD) simulation and a vibrational structure calculation. Representative structures and statistical weights of SM clusters connected by hydrogen bonds (HBs) are observed...

The present study reports an unusual diffuse reflection Fourier transform (DRIFT) spectrum of ethane adsorbed by gallium oxide. One of the stretching C-H bands in this spectrum with a maximum at 2753 cm(-1) is more than by 100 cm(-1) shifted toward lower frequencies in comparison with gaseous ethane. In addition, the relative intensity of this band is unusually high. This indicates a very stron...

Fourier transform infrared (FTIR) difference spectroscopy is predestined to monitor the protonation of carboxyl groups during protein reactions, making glutamic and aspartic amino acids unique to follow proton pathways. The absorption of the corresponding vibrations are clearly distinguishable from the absorption of other amino acids. However, the assignment to specific groups within the protei...

Three different size distributions of Ge quantum dots (>200, 110, and 60 A) have been synthesized via the ultrasonic mediated reduction of mixtures of chlorogermanes and organochlorogermanes (or organochlorosilanes) by a colloidal sodium/potassium alloy in heptane, followed by annealing in a sealed pressure vessel at 270 “C. The quantum dots are characterized by transmission electron microscopy...

In this paper we describe a novel robot learning method that enables a mobile robot equipped with sonar and IR light sensors to automatically acquire the ability to negotiate objects and dock by simply interacting with the environment. We achieve this by providing the robot with sonar and IR sensors for detecting objects and the relative direction of IR beacons placed in the environment. A set ...

The proliferative responses of T cells, depleted of alloreactive cells, were tested upon stimulation by antigens presented on allogeneic antigen-presenting cells (APC). Restriction molecules involved in these responses were identified by inhibition of T cell proliferation with monoclonal antibodies against A(A alpha A beta) and E(E alpha E beta) molecules of the APC. The responses to all three ...

In the late 1990s, child welfare jurisdictions in United States and other countries began to implement an alternative approach allow for a more flexible response differing needs circumstance of families reported protective services (CPS). This structuring is commonly referred as differential (DR); it also called (AR), family assessment (FAR), multiple (MR), or dual track. Currently, thirty-two ...