OBJECTIVE To compare the behavior of preterm newborns (PTNs) and full-term newborns (FTNs) using the Newborn Behavioral Observation (NBO) and to evaluate the mothers' experience when participating in this observation. METHOD This was a cross-sectional study performed at a referral hospital for high-risk births, involving mothers and neonates before hospital discharge. The mothers answered the...

A natural bond orbital (NBO) analysis of unpaired electron spin density in metalloproteins is presented, which allows a fast and robust calculation of paramagnetic NMR parameters. Approximately 90% of the unpaired electron spin density occupies metal-ligand NBOs, allowing the majority of the density to be modeled by only a few NBOs that reflect the chemical bonding environment. We show that the...

Preliminary studies of non-clinical samples suggest that purposely attempting to avoid thoughts of food, referred to as food thought suppression, is related to a number of unwanted eating- and weight-related consequences, particularly in obese individuals. Despite possible implications for the treatment of obesity and eating disorders, little research has examined food thought suppression in ob...

Intramolecular hydrogen bonds (IHBs) play a central role in the molecular structure, chemical reactivity and interactions of biologically active molecules. Here, we study the IHBs of seven related o-carbonyl hydroquinones and one structurally-related aromatic lactone, some of which have shown anticancer and antioxidant activity. Experimental NMR data were correlated with theoretical calculation...

The neuroprotective effect of oxygen after acute stroke in rats has been shown previously. However, the question of optimal dosing still remains unanswered. Thus, we investigated the use of oxygen at different concentrations by either normobaric oxygenation (NBO) or hyperbaric oxygenation (HBO) at different pressures in a model of transient ischemia/reperfusion in rats. Animals underwent 90 min...

The molecular framework [Fe(NCS)(2)(tmbpz)(2)](tmbpz = 3,3',5,5'-tetramethyl-4,4'-bipyrazolyl) consists of a robust doubly interpenetrated NbO-type network that remains stable on the removal of solvent guest molecules.

Using data obtained with the Rossi X-ray Timing Explorer, we report the detection of a 5 Hz quasi-periodic oscillation (QPO) in the bright low-mass X-ray binary and Z source Cygnus X-2 during high overall intensities (the high intensity state). This QPO was detected on the so-called normal branch and can be identified with the normal branch QPO or NBO. Our detection of the NBO is the first one ...

in this research, we report the results of dft calculations using xc-hybrid functional, b3lyp and employ nbo interpretation to investigate the stereoelectronic effects. electrostatic and steric impacts on the conformational properties of 1,2-difluorodiazene (1), 1,2-dichlorodiazene (2) and 1,2-dibromodiazene (3) are also studied. factors determining the thermodynamically stable molecular struct...

The structural and vibrational properties of 6-(2-(2,4-dinitrophenylhydrazano)-tetrahydro-2thioxopyrimidin-4(1H)-one (3) prepared by condensation of synthesized thiobarbituric acid (1) with 2,4-dinitrophenylhydrazine (2) were studied using experimental FT-IR, FT-Raman, NMR spectra and theoretical calculations based on the density functional method were the simulated spectra coincides with exper...

Studies are reported of the upper critical fields of Nbo.53Tio.47-Ge multilayers consisting of thick Ge layers and varying-thickness Nbo.s3Tio.47 layers. Both the angular dependence and the temperature dependence of the upper critical fields indicate a dimensional crossover at a Nbo.s3Tio.47 layer thickness near 200 ~ . All the 2D samples display a cusplike upper critical field angular dependen...