261 research outputs found
Quantum mechanical and quasiclassical investigation of the time domain nonadiabatic dynamics of NO2 close to the bottom of the X2A1-A2B2 conical intersection
We use the effective Hamiltonian that we recently fitted against the first
306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119,
5923 (2003)] to investigate the time domain nonadiabatic dynamics of this
molecule on the coupled X2A1 and A2B2 electronic states, using both quantum
mechanical and quasiclassical techniques. From the quantum mechanical point of
view, we show that the transfer of population to the electronic ground state
originating from a wave packet launched on the excited state occurs in a
stepwise fashion. The evolution of wave packets launched on the electronic
ground state is instead more complex because the crossing seam is located close
to the bottom of the electronic excited state. We next use the mapping
formalism, which replaces the discrete electronic degrees of freedom by
continuous ones, to obtain a classical description of the coupled electronic
states. We propagate gaussian swarms of trajectories to show that this approach
can be used to calculate the populations in each electronic state. We finally
propose a very simple trajectory surface hopping model, which assumes that
trajectories have a constant probability to jump onto the other state in a
particular region of the phase space and a null hopping probability outside
from this region. Quasiclassical calculations show that this model enables a
precise estimation of complex quantities, like for example the projection of
the instantaneous probability density on given planes.Comment: accepted for publication in J. Chem. Phy
Different mechanics of snap-trapping in the two closely related carnivorous plants Dionaea muscipula and Aldrovanda vesiculosa
The carnivorous aquatic Waterwheel Plant (Aldrovanda vesiculosa L.) and the
closely related terrestrial Venus Flytrap (Dionaea muscipula SOL. EX J. ELLIS)
both feature elaborate snap-traps, which shut after reception of an external
mechanical stimulus by prey animals. Traditionally, Aldrovanda is considered as
a miniature, aquatic Dionaea, an assumption which was already established by
Charles Darwin. However, videos of snapping traps from both species suggest
completely different closure mechanisms. Indeed, the well-described snapping
mechanism in Dionaea comprises abrupt curvature inversion of the two trap
lobes, while the closing movement in Aldrovanda involves deformation of the
trap midrib but not of the lobes, which do not change curvature. In this paper,
we present the first detailed mechanical models for these plants, which are
based on the theory of thin solid membranes and explain this difference by
showing that the fast snapping of Aldrovanda is due to kinematic amplification
of the bending deformation of the midrib, while that of Dionaea unambiguously
relies on the buckling instability that affects the two lobes.Comment: accepted in Physical Review
Anharmonic stacking in supercoiled DNA
Multistep denaturation in a short circular DNA molecule is analyzed by a
mesoscopic Hamiltonian model which accounts for the helicoidal geometry.
Computation of melting profiles by the path integral method suggests that
stacking anharmonicity stabilizes the double helix against thermal disruption
of the hydrogen bonds. Twisting is essential in the model to capture the
importance of nonlinear effects on the thermodynamical properties. In a ladder
model with zero twist, anharmonic stacking scarcely affects the thermodynamics.
Moderately untwisted helices, with respect to the equilibrium conformation,
show an energetic advantage against the overtwisted ones. Accordingly
moderately untwisted helices better sustain local fluctuational openings and
make more unlikely the thermally driven complete strand separation.Comment: In pres
Atlantic reef fish biogeography and evolution
Copyright © 2007 The Authors.Journal compilation © 2007 Blackwell Publishing Ltd.AIM: To understand why and when areas of endemism (provinces) of the tropical Atlantic Ocean were formed, how they relate to each other, and what processes have contributed to faunal enrichment. RESULTS: Phylogenetic (proportion of sister species) and distributional (number of shared species) patterns are generally concordant with recognized biogeographical provinces in the Atlantic. The highly uneven distribution of species in certain genera appears to be related to their origin, with highest species richness in areas with the greatest phylogenetic depth. Diversity buildup in Atlantic reef fishes involved (1) diversification within each province, (2) isolation as a result of biogeographical barriers, and (3) stochastic accretion by means of dispersal between provinces. The timing of divergence events is not concordant among taxonomic groups. The three soft (non-terrestrial) inter-regional barriers (mid-Atlantic, Amazon, and Benguela) clearly act as âfiltersâ by restricting dispersal but at the same time allowing occasional crossings that apparently lead to the establishment of new populations and species. Fluctuations in the effectiveness of the filters, combined with ecological differences among provinces, apparently provide a mechanism for much of the recent diversification of reef fishes in the Atlantic
Phase I clinical trial with IL-2-transfected xenogeneic cells administered in subcutaneous metastatic tumours: clinical and immunological findings
Various studies have emphasized an immunodepression state observed at the tumour site. To reverse this defect and based upon animal studies, we initiated a phase I clinical trial of gene therapy in which various doses of xenogeneic monkey fibroblasts (Vero cells) genetically engineered to produce human IL-2 were administered intratumorally in 8 patients with metastatic solid tumours. No severe adverse effect was observed in the 8 patients analysed during this clinical trial even in the highest dose (5 „ 107 cells) group. This absence of toxicity seems to be associated with rapid elimination of Vero-IL-2 cells from the organism. Indeed, exogenous IL-2 mRNA could no longer be detected in the peripheral whole blood 48 hours after Vero-IL-2 cell administration. In addition, we did not find any expression of exogenous IL-2 mRNA in post-therapeutic lesions removed 29 days after the start of therapy. A major finding of this trial concerns the two histological responses of two treated subcutaneous nodules not associated with an apparent clinical response. The relationship between local treatment and tumour regression was supported by replacement of tumour cells by inflammatory cells in regressing lesions and marked induction of T and natural killer cell derived cytokines (IL-2, IL-4, IFNg âŠ) in post-therapeutic lesions analysed 28 days after the start of Vero-IL-2 administration. Gene therapy using xenogeneic cells as vehicle may therefore present certain advantages over other vectors, such as its complete absence of toxicity. Furthermore, the in vivo biological effect of immunostimulatory genes, i.e IL-2-, may be potentiated by the xenogeneic rejection reaction. © 2000 Cancer Research Campaign http://www.bjcancer.co
Control of Gene Expression by the Retinoic Acid-Related Orphan Receptor Alpha in HepG2 Human Hepatoma Cells
Retinoic acid-related Orphan Receptor alpha (RORα; NR1F1) is a widely distributed nuclear receptor involved in several (patho)physiological functions including lipid metabolism, inflammation, angiogenesis, and circadian rhythm. To better understand the role of this nuclear receptor in liver, we aimed at displaying genes controlled by RORα in liver cells by generating HepG2 human hepatoma cells stably over-expressing RORα. Genes whose expression was altered in these cells versus control cells were displayed using micro-arrays followed by qRT-PCR analysis. Expression of these genes was also altered in cells in which RORα was transiently over-expressed after adenoviral infection. A number of the genes found were involved in known pathways controlled by RORα, for instance LPA, NR1D2 and ADIPOQ in lipid metabolism, ADIPOQ and PLG in inflammation, PLG in fibrinolysis and NR1D2 and NR1D1 in circadian rhythm. This study also revealed that genes such as G6PC, involved in glucose homeostasis, and AGRP, involved in the control of body weight, are also controlled by RORα. Lastly, SPARC, involved in cell growth and adhesion, and associated with liver carcinogenesis, was up-regulated by RORα. SPARC was found to be a new putative RORα target gene since it possesses, in its promoter, a functional RORE as evidenced by EMSAs and transfection experiments. Most of the other genes that we found regulated by RORα also contained putative ROREs in their regulatory regions. Chromatin immunoprecipitation (ChIP) confirmed that the ROREs present in the SPARC, PLG, G6PC, NR1D2 and AGRP genes were occupied by RORα in HepG2 cells. Therefore these genes must now be considered as direct RORα targets. Our results open new routes on the roles of RORα in glucose metabolism and carcinogenesis within cells of hepatic origin
The RND-family transporter, HpnN, is required for hopanoid localization to the outer membrane of Rhodopseudomonas palustris TIE-1
Rhodopseudomonas palustris TIE-1 is a Gram-negative bacterium that produces structurally diverse hopanoid lipids that are similar to eukaryotic steroids. Its genome encodes several homologues to proteins involved in eukaryotic steroid trafficking. In this study, we explored the possibility that two of these proteins are involved
in intracellular hopanoid transport. R. palustris has a sophisticated membrane system comprising outer, cytoplasmic, and inner cytoplasmic membranes. It also divides asymmetrically, producing a mother and swarmer cell. We deleted genes encoding two putative hopanoid transporters that belong to the resistanceânodulationâ
cell division superfamily. Phenotypic analyses revealed that
one of these putative transporters (HpnN) is essential for the movement of hopanoids from the cytoplasmic to the outer membrane, whereas the other (Rpal_4267) plays a minor role. C30 hopanoids, such as diploptene, are evenly distributed between mother and swarmer cells, whereas hpnN is required for the C35 hopanoid, bacteriohopanetetrol, to remain localized to the mother cell type. Mutant cells lacking HpnN grow like the WT at 30 °C but slower at 38 °C. Following cell division at 38 °C, the ÎhpnN cells remain
connected by their cell wall, forming long filaments. This phenotype may be attributed to hopanoid mislocalization because a double mutant deficient in both hopanoid biosynthesis and transport does not form filaments. However, the lack of hopanoids severely compromises cell growth at higher temperatures more generally. Because hopanoid mutants only manifest a strong phenotype under
certain conditions, R. palustris is an attractive model organism in which to study their transport and function
Long-term spatiotemporal stability and dynamic changes in helminth infracommunities of spiny mice (Acomys dimidiatus) in St. Katherineâs Protectorate, Sinai, Egypt
The importance of parasites as a selective force in host evolution is a topic of current interest. However, short-term ecological studies of host-parasite systems, on which such studies are usually based, provide only snap-shots of what may be dynamic systems. We report here on four surveys, carried out over a period of 12 years, of helminths of spiny mice (Acomys dimidiatus), the numerically dominant rodents inhabiting the dry montane wadis in the Sinai Peninsula. With host age (age-dependent effects on prevalence and abundance were prominent) and sex (female bias in abundance in helminth diversity and in several taxa including Cestoda) taken into consideration, we focus on the relative importance of temporal and spatial effects on helminth infracommunities. We show that site of capture is the major determinant of prevalence and abundance of species (and higher taxa) contributing to helminth community structure, the only exceptions being Streptopharaus spp. and Dentostomella kuntzi. We provide evidence that most (notably the Spiruroidea, Protospirura muricola, Mastophorus muris and Gongylonema aegypti, but with exceptions among the Oxyuroidae e.g. Syphacia minuta), show elements of temporal-site stability, with rank order of measures among sites remaining similar over successive surveys and hence some elements of predictability in these systems
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