Prediction of electronically nonadiabatic decomposition mechanisms of isolated gas phase nitrogen-rich energetic salt: Guanidium-triazolate

Electronically nonadiabatic decomposition pathways of guanidium triazolate are explored theoretically. Nonadiabatically coupled potential energy surfaces are explored at the complete active space self-consistent field (CASSCF) level of theory. For better estimation of energies complete active space second order perturbation theories (CASPT2 and CASMP2) are also employed. Density functional theory (DFT) with B3LYP functional and MP2 level of theory are used to explore subsequent ground state decomposition pathways. In comparison with all possible stable decomposition products (such as, N-2, NH3, HNC, HCN, NH2CN and CH3NC), only NH3 (with NH2CN) and N-2 are predicted to be energetically most accessible initial decomposition products. Furthermore, different conical intersections between the S-1 and S-0 surfaces, which are computed at the CASSCF(14,10)/6-31G(d) level of theory, are found to play an essential role in the excited state deactivation process of guanidium triazolate. This is the first report on the electronically nonadiabatic decomposition mechanisms of isolated guanidium triazolate salt. (C) 2015 Elsevier B.V. All rights reserved.

An Endophytic Fungus, Talaromyces radicus, Isolated from Catharanthus roseus, Produces Vincristine and Vinblastine, Which Induce Apoptotic Cell Death

Endophytic fungi isolated from Catharanthus roseus were screened for the production of vincristine and vinblastine. Twenty-two endophytic fungi isolated from various tissues of C. roseus were characterized taxonomically by sequence analysis of the internal transcribed spacer (ITS) region of rDNA and grouped into 10 genera: Alternaria, Aspergillus, Chaetomium, Colletotrichum, Dothideomycetes, Eutypella, Eutypa, Flavodon, Fusarium and Talaromyces. The antiproliferative activity of these fungi was assayed in HeLa cells using the MTT assay. The fungal isolates Eutypella sp-CrP14, obtained from stem tissues, and Talaromyces radicus-CrP20, obtained from leaf tissues, showed the strongest antiproliferative activity, with IC50 values of 13.5 mu g/ml and 20 mu g/ml, respectively. All 22 endophytic fungi were screened for the presence of the gene encoding tryptophan decarboxylase (TDC), the key enzyme in the terpenoid indole alkaloid biosynthetic pathway, though this gene could only be amplified from T. radicus-CrP20 (NCBI GenBank accession number KC920846). The production of vincristine and vinblastine by T. radicus-CrP20 was confirmed and optimized in nine different liquid media. Good yields of vincristine (670 mu g/l) in modified M2 medium and of vinblastine (70 mu g/l) in potato dextrose broth medium were obtained. The cytotoxic activity of partially purified fungal vincristine was evaluated in different human cancer cell lines, with HeLa cells showing maximum susceptibility. The apoptosis-inducing activity of vincristine derived from this fungus was established through cell cycle analysis, loss of mitochondrial membrane potential and DNA fragmentation patterns.

Experimental investigation of thermocapillary migration of isolated drops

Experimental hardware has been developed to perform experiments on the Marangoni migration of drops in the case of intermediate Reynolds numbers in a microgravity environment. The experiments were conducted using the drop shaft free fall facility with a 4.5 second microgravity period in the Microgravity Laboratory of Japan. In this experiment, the thermocapillary velocity of drop migration was measured for drops of different sizes in a series of temperature gradients.

Asymmetric structure of an isolated flux arch

This paper extends two-dimensional model of symmetric magnetostatic flux arches confined in stratified atmospheres (Zhang and Hu, 1992, 1993) to asymmetric models. Numerical results show that the flux structure is influenced greatly by the boundary condition of magnetic field, the force-free factor, the atmospheric pressure distribution and the position of footpoints (especially the width ratio of outlet to entrance, which differs from symmetric case).

Equilibrium of isolated magnetostatic flux structure

Two-dimensional magnetostatic models of flux structure confined in stratified atmosphere are discussed in the present paper. The magnetic field in the flux structure is assumed to be force-free at the first step. Numerical solutions for this nonlinear free boundary problem are obtained by finite element method. Results show clearly the relation between the inside fields and outside pressure, especially the influence of atmospheric pressure distribution on the flux structure.

Magnetostatic equilibrium of isolated magnetic-flux tube

In the present paper, an isolated axisymmetric flux tube is discussed for slender magnetic configuration. The magnetostatic model and the stratified atmospheric model are applied, respectively, to the regions inside and outside the flux tube. The problem is described mathematically by the nonlinear partial differential equations under the nonlinear boundary condition at the free boundary of flux tube. According to the approximation of a small expansive angle, the solutions of series expressions are obtained formally. The model of polytropic plasma is discussed in detail especially. The results show the distributions of thermodynamic quantities and magnetic field extending from the high β region to the low β region, and the flux tube may be either divergent or convergent according to the pressure difference outside and inside the flux tube.

A model of an isolated magnetic-flux tube in a stratified atmosphere

A two-dimensional model of a magnetic flux tube confined in a gravitational stratified atmosphere is discussed. The magnetic field in the flux tube is assumed to be force-free. By using the approximation of large scale height, the problem of a free boundary with nonlinear conditions may be reduced to one involving a fixed boundary. The two-dimensional features are obtained by applying the perturbation method and adopting the Luest-Schlueter model as the basic state. The results show that the configuration of a flux tube confined in a gravitational stratified atmosphere is divergent, and the more twisted the magnetic field, the more divergent is the flux tube.

A consistent model of isolated force-free magnetic arches

The magnetic flux tube concentrating strong magnetic field is the basic configuration of magneticfield in the solar atmosphere. In the present paper, the equilibrium of isolated magnetic flux tube inthe solar atmosphere is discussed. In the viewpoint of mathematics, the boundary condition is nonlinearand the position of boundary needs to be determined by the physical condition although the equation ofmagnetic potential is linear for the linear force-free field. Analytical solutions to the arches of bothuniform circular cross-section and non-uniform cross section have been obtained. The results show thatthe nonlinear problem may have or not have any solution according to different azimuthal components of the magnetic field; the number of solutions to the nonlinear problem is four at most, and two in some cases. In the present paper, the analytical solutions to the approximations of both fat and slender arches are given in detail, and the general features of magnetic arch structure are shown.

The Biology of a High Isolated Tide Pool

A small isolated tide pool was studied quite intensively over a period on one month. A oensus of all animals present was taken, and a population record kept daily for the month. Fluctuations in the numbers of individuals were noted, and reasons for these fluctuations sought. The behavior and feeding habits of the various animals were noted, and an attempt was made to relate the animals to their environment. This is a student paper done for a University of California Berkeley Zoology class. Since UCB didn't have its own marine lab at the time, it rented space at Hopkins Marine Station where this work was done. Gene Haderlie went on to earn his Ph.D. from Berkeley and later became a Professor at the Naval Post Graduate School in Monterey. (PDF contains 22 pages)

Dynamics of Streptococcus pneumoniae Serotypes Causing Acute Otitis Media Isolated from Children with Spontaneous Middle-Ear Drainage over a 12-Year Period (1999–2010) in a Region of Northern Spain

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Membrane Deformability and Membrane Tension of Single Isolated Mitochondria

Mitochondria dynamics is crucial to many biological processes such as mitochondria fusion and fission, which is highly correlated to the mechanics of single mitochondria. However, the mechanobiological coupling of mitochondria has been poorly understood. Here membrane deformability and membrane tension of individual mitochondria isolated from MtDsRed labeled human embryonic T-Rex-293 kidney cells were measured using a micropipette aspiration assay. The results demonstrated that membrane deformation of isolated mitochondria exhibited an elastic transition phase followed by an equilibrium phase, and mitochondrial membrane tension was proportional to the area compressibility. It was also indicated that mitochondrial membrane deformability was significantly affected by physical chemical factors such as osmotic pressure or pH value, and was further correlated to mitochondrial functionality in different respiratory states and Ca2+ regulation. These findings provide a new insight into understanding the mechanical regulation of mitochondrial physiology.