An anionic Cd(II) metal–organic framework, {[NH2(CH3)2]2[Cd(μ4-TDBAT)]·3H2O·DMF}n (1) (TDBAT: 5,5′-((thiophene-2,5-dicarbonyl)bis(azanediyl))diisophthalate), was synthesized with thiophenamide-containing tetracarboxylic acid and characterized by elemental analysis, IR spectroscopy, single-crystal diffraction, powder X-ray thermogravimetric analysis. results showed that each ion connected to fou...

THE Neurologic and Adaptive Capacity Score (NACS) was described in 1982 by Amiel-Tison et al. It was developed to evaluate the neurobehavior of term, healthy newborns; specifically, to detect central nervous system depression from drugs administered to the mother during labor and delivery and to differentiate these effects from those associated with perinatal asphyxia and trauma at birth. The 2...

We report high resolution measurements of 372 NaCs 5(3)Π(0)(v, J) ro-vibrational level energies in the range 0 ≤ v ≤ 22. The data have been used to construct NaCs 5(3)Π(0) potential energy curves using the Rydberg-Klein-Rees and inverted perturbation approximation methods. Bound-free 5(3)Π(0)(v, J) → 1(a)(3)Σ(+) emission has also been measured, and is used to determine the repulsive wall of the...

Indole-3-glycerol phosphate synthase catalyzes the terminal ring closure step in tryptophan biosynthesis. In this paper, we compare the results from molecular dynamics (MD) simulations of enzyme-bound substrate at 298, 333, 363, and 385 K and the enzyme-bound intermediate at 385 K, solvated in TIP3P water box with a CHARMM force field. Results from MD simulations agree with experimental studies...

OBJECTIVE Epidural (EA) and combined spinal-epidural (CSE) techniques have both been utilized for labor analgesia. This study compared the effects on the mother and newborn of these techniques in labor analgesia and anesthesia. METHODS Forty pregnant women received epidural analgesia with 15 mL of 0.125% ropivacaine (EA group) and 5 microg of sufentanil plus 2.5mg bupivacaine in the subarachn...

The density derived electrostatic and chemical (DDEC/c3) method is implemented into the onetep program to compute net atomic charges (NACs), as well as higher-order atomic multipole moments, of molecules, dense solids, nanoclusters, liquids, and biomolecules using linear-scaling density functional theory (DFT) in a distributed memory parallel computing environment. For a >1000 atom model of the...

Canadian university students either of Chinese origin (CC) or non-Asian origin (NAC) and Chinese university students educated in Asia (AC) solved simple-arithmetic problems in the 4 basic operations (e.g., 3 + 4, 7 - 3, 3 x 4, 12 divided by 3) and reported their solution strategies. They also completed a standardized test of more complex multistep arithmetic. For complex arithmetic, ACs outperf...

Compound-specific isotope analysis (CSIA) is an increasingly important tool for the qualitative and quantitative assessment of transformations of organic compounds in contaminated environments. To date, the use of CSIA has been mainly restricted to the elements C and H, although Nconstitutes a very important reactive centerfor many priority contaminants. To evaluate the potential use of N isoto...