Towards experimental determination of conical intersection properties: a twin state based comparison with bound excited states

The energy and approximate structure of certain S(0)/S(1) conical intersections (CI) are shown computationally to be deducible from those of two bound states: the first triplet (T(1)), which is iso-energetic with the CI, and the second excited singlet state (S(2)). This is demonstrated for acepentalene (I) and its perfluoro derivative (II) using the twin state concept for three states systems and based on the fact that the triplet T(1) is almost degenerate with the CI. The stable S(2) (C(3v) configuration) state exhibits unusual exaltation of Jahn-Teller active degenerate mode-ν(JT) = 2058 cm(-1) (～500 cm(-1) higher than analogous e-mode of the symmetric (C(3v)) T(1) and the dianion I(-2) or any C-C vibration of the Jahn-Teller distorted (C(s)) ground state minimum). The acepentalene molecule, whose rigid structure and possibility to attain the relatively high symmetry C(3v) configuration, is a particularly suitable candidate for this purpose.     

Application of Fluorescent Nanocrystals (q-dots) for the Detection of Pathogenic Bacteria by Flow-Cytometry

Fluorescent semiconductor nanocrystals (q-dots) benefit from practical features such as high fluorescence intensity, broad excitation band and emission diameter dependency. These unique spectroscopic characterizations make q-dots excellent candidates for new fluorescent labels in multi-chromatic analysis, such as Flow-Cytometry (FCM). In this work we shall present new possibilities of multi-labeling and multiplex analysis of pathogenic bacteria, by Flow-Cytometry (FCM) analysis and new specific IgG—q-dots conjugates. We have prepared specific conjugates against B. anthracis spores (q-dots585-IgGαB. anthracis and q-dots655-IgGαB.anthracis). These conjugates enabled us to achieve double staining of B. anthracis spores which improve the FCM analysis specificity versus control Bacillus spores. Moreover, multiplexed analysis of B. anthracis spores and Y. pestis bacteria was achieved by using specific antibodies labeled with different q-dots to obtain: q-dots585-IgGαB. anthracis and q-dots655-IgGαY.pestis, each characterized by its own emission peak as a marker. Specific and sensitive multiplex analysis for both pathogens has been achieved, down to 10³ bacteria per ml in the sample.     

Amplified Degradation of Photosystem II D1 and D2 Proteins under a Mixture of Photosynthetically Active Radiation and UVB Radiation: Dependence on Redox Status of Photosystem II

Abstract— Plants exposed to a mixture of photosynthetically active radiation (PAR) and UVB radiation exhibit a marked boost in degradation of the D1 and D2 photosysteni II (PS II) reaction center proteins beyond that predicted by the sum of rates in PAR and UVB alone (amplified degradation). Becausee degradation driven by visible or UVB radiation alone is uncoupled from PS II redox status, it was therefore assumed that the mixed-light-amplified component of degradation would behave similarly. Surprisingly, amplified degradation proved to be coupled tightly to the redox status of PS II. We show that inactivation of the PS II water oxidation by heat shock or oxidation of the plastosemiquinone (Q_A-) by silicomolybdate nullifies only the amplified component of degradation but not the basic rates of degradation under PAR or UVB alone. The data are interpreted to indicate that formation of plastosemiquinone or an active water-oxidizing Mn₄ cluster, is the UVB chromophore involved in amplified degradation of the D1 and D2 proteins. Furthermore, accumulation of Q_A-by 3-(3,4-dichlorophenyl)-1,1-dimethylurea or 2-bromo-3-methyl-6-isopropyl-4-nitrophenol stimulated the mixed-light-amplified degradation component. Thus, amplified degradation of the D1 and D2 proteins in mixed radiance of PAR plus UVB (which simulates naturally occurring radiance) proceeds by a mechanism clearly distinct from that involved in degradation under PAR or UVB alone.     

A new characterization of graphs based on interception relations

While graphs are normally defined in terms of the 2-place relation of adjacency, we take the 3-place relation of interception as the basic primitive of their definition. The paper views graphs as an economical scheme for encoding interception relations, and establishes an axiomatic characterization of relations that lend themselves to representation in terms of graph interception, thus providing a new characterization of graphs. © 1996 John Wiley & Sons, Inc.     

High-multiplicity N-fold IP via configuration LP

Mathematical Programming - N-fold integer programs (IPs) form an important class of block-structured IPs for which increasingly fast algorithms have recently been developed and successfully...