The elimination of a hydrogen atom in Na(H2O)n.

By a systematic examination on Na(H2O)n, with n = 4-7, 9, 10, and 15, we demonstrate that a hydrogen loss reaction can be initiated by a single sodium atom with water molecules. This reaction is similar to the well-known size-dependent intracluster hydrogen loss in Mg+(H2O)n, which is isoelectronic to Na(H2O)n. However, with one less charge on Na(H2O)n than that on Mg+(H2O)n, the hydrogen loss for Na(H2O)n is characterized by a higher barrier and a more flexible solvation shell around the metal ion, although the reaction should be accessible, as the lowest barrier is around 8 kcal/mol.

[Effect of Laminaria japonica polysaccharides on lowing serum lipid and anti-atherosclerosis in hyperlipemia quails].

Objective: To study the effect of Laminaria Japonica Polysaccharides on lowing serum lipid and anti-atherosclerosis in quails.

Methods: The hyperlipemia atherosclerosis (As) models of quails were induced by high lipids. After administration with Laminaria Japonica Polysccharides for two weeks, the content of total cholesterol (TC), triglyceride (TG), high density lipoprotein (HDL) and low density lipoprotein (LDL) in serum and the ratio of HDL/TC were determined, index of liver was calculated, the extent of aortic atherosclerosis and the atherosclerotic lesion were observed.

Size-dependent charge-separation reaction for hydrated sulfate dianion cluster, SO(2-)(H2O)n, with n=3-7.

The decrease in the reaction rate for the charge separation in SO(4) (2-)(H(2)O)(n) with increasing cluster size is examined by first-principles calculations of the energetics, activation barriers, and thermal stability for n=3-7. The key factor governing the charge separation is the difference in the strength of solvation interaction: while interaction with water is strong for the reactant SO(4) (2-) and the product OH(-), it is relatively weak for HSO(4) (-). It gives rise to a barrier for charge separation as SO(4) (2-) is transformed into HSO(4) (-) and OH(-), although the overall reaction energy is exothermic.

First principles study on the solvation and structure of C2O4(2-)(H2O)n, n = 6-12.

The structures and energies of hydrated oxalate clusters, C2O4(2-)(H2O)n, n = 6-12, are obtained by density functional theory (DFT) calculations and compared to SO4(2-)(H2O)n. Although the evolution of the cluster structure with size is similar to that of SO4(2-)(H2O)n, there are a number of important and distinctive futures in C2O4(2-)(H2O)n, including the separation of the two charges due to the C-C bond in C2O4(2-), the lower symmetry around C2O4(2-), and the torsion along the C-C bond, that affect both the structure and the solvation energy. The solvation dynamics for the isomers of C2O4(2-)(H2O)12 are also examined by DFT based ab initio molecular dynamics.

[Cloning, expression and purification of His-tagged mouse mitochondrial transcription factor A and preparation of its polyclonal antibody].

Objective: To express and purify the fusion protein of His-tagged mouse mitochondrial transcription factor A (mtTFA) in prokaryocytes and prepare rabbit anti-mtTFA polyclonal antibody.

Methods: The total RNA was extracted from mouse liver cells, and the coding sequence of mtTFA without signal peptides was amplified with reverse transcriptional (RT)-PCR. The PCR product was then cloned into the prokaryotic expression vector pET14b.

Theoretical analyses of thermal stress of blood vessel during cryopreservation.

The infinite long hollow cylinder was selected as the model for studying the thermal stress inside the vascular wall during the common cryopreservation process (i.e. cooling-holding at a certain temperature-warming-holding at a second temperature).

Reaction mechanisms for size-dependent H loss in Mg+(H2O)n: solvation controlled electron transfer.

Mg+(H2O)n clusters ions are known to undergo a hydrogen loss reaction to produce (MgOH)+(H2O)n-1, when the cluster size n falls between 5 and 15. It indicates that the microscopic solvation environment has a strong effect on the reaction mechanisms, which have now been elucidated. Above n = 6, Mg+(H2O)n exists in the form of an ion pair, Mg2+(H2O)l.

[Effects of allitridin on the expression of human cytomegalovirus immediate early antigens-IE72 and IE86 in human embryonic lung cells].

Objective: To investigate the effect of allitridin injection on the expression of human cytomegalovirus (HCMV) immediate-early antigens (IEAs including IE72 and IE86) in human embryonic lung cells.

Method: HCMV AD 169 Virus strain infected cell model (MOI = 2.5 and 0.

A first principles study on the solvation and structure of SO4 2- (H2O)n, n=6-12.

The structures of hydrated sulfate clusters, SO(4) (2-)(H(2)O)(n) with n=6-12, are obtained by density functional theory calculations. For SO(4) (2-)(H(2)O)(12), two structures with symmetric distribution of H(2)O molecules around the sulfate group are favored in energy. The structures for the smaller clusters, SO(4) (2-)(H(2)O)(n) with n=6-11, are obtained by taking away one H(2)O molecule successively from the two symmetric SO(4) (2-)(H(2)O)(12) isomers.

[Effect of total Panax notoginseng saponins on the activity of human endothelial nitric oxide synthase gene promoter].

Objective: To study the mechanism of total Panax notoginseng saponin (tPNS) in regulating the transcription activity of human endothelial nitric oxide synthase (heNOS) gene promoter.

Methods: With gene recombination technique, we subcloned the heNOS gene promoter sequence (from -1 to -1 600 bp) into the BglII/HindIII sites of the firefly luciferase reporter gene vector, pGL2-Basic (Promega), to yield the recombinant plasmid designated as peNOS-Luc. With lipofectamine- mediated co-transfection technique, peNOS-Luc, pGL2-Basic and pCMV-beta were cotransfected into NIH3T3 cells, which were treated with lipopolysaccharide (LPS), tPNS and transforming growth factor beta1 (TGFbeta1) respectively.

The subchronic toxicity of hydroxysafflor yellow A of 90 days repeatedly intraperitoneal injections in rats.

Hydroxysafflor yellow A (HSYA) is the main segment of the safflower yellow pigments, and its second clinical study has been approved by the China SFDA for the treatment of brain blood vessel disease. Present studies were conducted to demonstrate the subchronic toxicity of HSYA. Sprague-Dawley (SD) rats were tested by daily intraperitoneal (IP) injection of HSYA at the doses of 180, 60, 20 mg/kg for 90 days.

A diradical mechanism for the addition of F2 to ethene: a density functional theory study.

The long disputed mechanism for the F(2) addition to ethene is elucidated by density functional theory calculations. With hybrid functionals and a large basis set, DFT provides an excellent description for the dissociation of ground state F(2), and a reasonable account for the F(2)..

Experimental study on the prevention and treatment of murine cytomegalovirus hepatitis by using allitridin.

Allitridin (diallyl trisulfide), a main effective compound of Allium sativum (garlic), was previously shown to inhibit the expression of immediate-early antigens and viral proliferation of human cytomegalovirus (HCMV) in vitro. Here we have examined the prophylactic and therapeutic efficacy of allitridin in a non-lethal murine cytomegalovirus (MCMV) hepatitis in methylprednisolone-immunosuppressed BALB/c mice. Allitridin was administered at 25mg/kg per day (equal to the mean human dose) and 75 mg/kg per day in two regimens: prophylaxis plus therapy beginning at 2 days before infection and lasting for 18 days, and therapy lasting for 14 days initiated at 2 days after infection.

Oxidation of carbon nanotubes by singlet O2.

Chemisorption of singlet (1)Delta(g) O2 on single-walled carbon nanotubes is reexamined by first principles calculations, and the reaction barrier is substantially lower than previously reported when the spin on O2 is correctly treated. The process is initiated by the cycloaddition of a singlet O2 on top of a C-C bond and ended with an epoxy structure with each of the two oxygen atoms occupying a bridge position. The overall process is exothermic, with an activation barrier as low as 0.

[Regulation of lipopolysaccharide-induced inducible nitric oxide synthase gene expression by protein kinase C].

Objective: To explore the molecular mechanism of inducible nitric oxide synthase (iNOS) gene expression induced by lipopolysaccharide (LPS) in monocytes or macrophages.

Methods: Luciferase report gene vector pGL2iNOSLuc driven by murine iNOS promoter region was constructed using gene recombination technique. RAW264.

Ab initio studies on Al(+)(H(2)O)(n), HAlOH(+)(H(2)O)(n-1), and the size-dependent H(2) elimination reaction.

We report computational studies on Al(+)(H(2)O)(n), and HAlOH(+)(H(2)O)(n-1), n = 6-14, by the density functional theory based ab initio molecular dynamics method, employing a planewave basis set with pseudopotentials, and also by conventional methods with Gaussian basis sets. The mechanism for the intracluster H(2) elimination reaction is explored. First, a new size-dependent insertion reaction for the transformation of Al(+)(H(2)O)(n), into HAlOH(+)(H(2)O)(n-1) is discovered for n > or = 8.

Ab initio studies on the mechanism of the size-dependent hydrogen-loss reaction in Mg+(H2O)n.

The mechanism of size-dependent intracluster hydrogen loss in the cluster ions Mg(+)(H(2)O)(n), which is switched on around n=6, and off around n=14, was studied by ab initio calculations at the MP2/6-31G* and MP2/6-31G** levels for n=1-6. The reaction proceeds by Mg(+)-assisted breaking of an H-O bond in one of the H(2)O molecules. The reaction barrier is dependent on both the cluster size and the solvation structure.