Fish were maintained in sea water equilibrated with a gas mixture containing a non-equilibrium mixture of the three molecular species of oxygen, O18-O 18 (mass 36), O18-O t6 (mass 34), and Ole-O 16 (mass 32). Analyses in the mass spectrometer, of the gases secreted into the swim-bladder showed that no change in the relative abundance of these three molecular species had occurred during the secr...

Observations of weak, relatively sharp electron-spin resonance signals in a variety of lyophilized biological materials have been reported by Commoner, Townsend. and Pake.1 Studies at Duke University2 have shown that similar signals can be produced in numerous organic chemicals, including biological substances, by X-irradiation in oxygen or by the admission of oxygen to samples which had previo...

1,2-Dithiole-3-thiones are an important class of anticarcinogens that selectively induce cellular production of chemoprotective phase II detoxification enzymes. It is important to identify chemical properties of anticarcinogens that are responsible for this enzyme induction. Previously, the ability of 1,2-dithiole-3-thiones to induce phase II enzymes has been attributed to their electrophilic c...

We have observed a nearly 4-fold increase in the electron spin resonance (ESR) signal from an ensemble of single-walled carbon nanotubes (SWCNTs) due to oxygen desorption. By performing temperature-dependent ESR spectroscopy both before and after thermal annealing, we found that the ESR in SWCNTs can be reversibly altered via the molecular oxygen content in the samples. Independent of the prese...

crustacean hemocyanins represent a unique case of molecular heterogeneity among oxygen-carrying proteins. two populations of gammarus lacustris and six populations of gammarus komareki were identified and isolated from aquatic habitats of ardabil (northwest of iran). the populations were nominated based on name of isolated region. principal component analysis of morphological absolute attribute...

Transient, macroscopic states of chemical disequilibrium are born out of the microscopic dynamics of molecules. As a reaction mixture evolves, the temporal patterns of chemical species encodes some of this dynamical information, while their statistics are a manifestation of the bulk kinetics. Here, we define a chemically-informed symbolic dynamics as a coarse-grained representation of classical...

The fully analytic energy gradient has been developed and implemented for the restricted open-shell Hartree-Fock (ROHF) method based on the fragment molecular orbital (FMO) theory for systems that have multiple open-shell molecules. The accuracy of the analytic ROHF energy gradient is compared with the corresponding numerical gradient, illustrating the accuracy of the analytic gradient. The ROH...

Density functional theory (DFT) calculations were performed on tripeptide arginyl-glycyl-aspartic acid (RGD) as an efficient drug carrier to deliver the commercially famous cyclophosphamide (CP) anticancer drug within ethanol solution. The most negative binding energy (-5.22 kcal/mol) was measured for the CP-RGD-7 created through the H-bond interaction between the P=O (phosphoryl) oxygen atom o...