Search results for "TRIPLE"

Theoretical Insight into the Spectroscopy and Photochemistry of Isoalloxazine, the Flavin Core Ring

2006

The electronic singlet-singlet and singlet-triplet electronic transitions of the isoalloxazine ring of the flavin core are studied using second-order perturbation theory within the framework of the CASPT2//CASSCF protocol. The main features of the absorption spectrum are computed at 3.09, 4.28, 4.69, 5.00, and 5.37 eV. The lowest singlet (S1) and triplet (T1) excited states are found to be both of pi character with a singlet-triplet splitting of 0.57 eV. On the basis of the analysis of the computed spin-orbit couplings and the potential energy hypersurfaces built for the relevant excited states, the intrinsic mechanism for photoinduced population of T1 is discussed. Upon light absorption, e…

On the Intrinsic Population of the Lowest Triplet State of Thymine

2007

The population of the lowest triplet state of thymine after near-UV irradiation has been established, on the basis of CASPT2//CASSCF quantum chemical calculations, to take place via three distinct intersystem crossing mechanisms from the initially populated singlet bright 1pipi* state. Two singlet-triplet crossings have been found along the minimum-energy path for ultrafast decay of the singlet state at 4.8 and 4.0 eV, involving the lowest 3npi* and 3pipi* states, respectively. Large spin-orbit coupling elements predict efficient intersystem crossing processes in both cases. Another mechanism involving energy transfer from the lowest 1npi* state with much larger spin-orbit coupling terms ca…

Synthesis and molecular properties of donor–π-spacer–acceptor ynamides with up to four conjugated alkyne units

2010

A set of push-pull ynamides with up to four conjugated triple bonds has been synthesized and the molecular properties of these new carbon rods have been characterised showing effective intramolecular charge transfers and high values for the change of the electrical dipole moment after transition from the ground to the Franck-Condon excited state.

Euler characteristic formulas for simplicial maps

2001

In this paper, various Euler characteristic formulas for simplicial maps are obtained, which generalize the Izumiya–Marar formula [ 14 ], the Banchoff triple point formula [ 3 ] and the formula due to Szucs for maps of surfaces into 3-space [ 27 ]. Moreover, we obtain new results about the Euler characteristics of the multiple point sets and the images of generic smooth maps and the numbers of their singularities.

NF-κB is a potential pharmacological target in triple negative breast cancers.

2015

Triple negative breast cancers (TNBCs), characterized by lack of estrogen, progesterone and HER2 receptors, are a highly heterogenous group of tumors which account for about 20% to 25% of all breast cancers. TNBCs are often associated with epithelial-mesenchymal transition and a high propensity for early metastasis. Since no molecularly-targeted therapeutic agents are clinically available for TNBCs, these tumors, which are frequently resistant to cytotoxic chemotherapy, remain difficult to treat. Nevertheless, progress is being made in the finding of molecular alterations typical of TNBCs toward which to focus therapeutic efforts.

Phosphorescence emission and polarization of quinoline 3-carbonitrile

1993

Abstract The phosphorescence emission and excitation spectra and their polarization have been studied for quinoline 3-carbonitrile in methylcyclohexane and ethanol glasses at 77 K. From the results obtained in this molecule (τ=1.15 sec in ethanol, τ=1.04 sec in methylcyclohexane and out-of-plane polarization) it is concluded that the emission is orginated from a triplet state of 3 ππ * character. The two major spin-orbit coupling mechanisms through which the ππ * state of quinoline 3-carbonitrile acquires dipole-allowed character via nπ * states are: 1. In ethanol glass: 2. In methylcyclohexane glass:

Social Accounting

2013

Measurement of cross sections of the interactions e+e−→ ϕϕω and e+e−→ ϕϕϕ at center-of-mass energies from 4.008 to 4.600 GeV

2017

Abstract Using data samples collected with the BESIII detector at the BEPCII collider at six center-of-mass energies between 4.008 and 4.600 GeV, we observe the processes e + e − → ϕ ϕ ω and e + e − → ϕ ϕ ϕ . The Born cross sections are measured and the ratio of the cross sections σ ( e + e − → ϕ ϕ ω ) / σ ( e + e − → ϕ ϕ ϕ ) is estimated to be 1.75 ± 0.22 ± 0.19 averaged over six energy points, where the first uncertainty is statistical and the second is systematic. The results represent first measurements of these interactions.

Characterisation of beam focus quality in biomedical nuclear microscopy: A Fourier optics approach

2009

Abstract The central peak widths of the 2D-autocorrelation function have been investigated as a Figure of Merit (FoM) of focus quality in nuclear microscopy using a quadrupole triplet lens system. The beam focus could be reliably characterised for direct scanning transmission ion microscopy (direct-STIM) images obtained with fluences as small as 5.8 × 10 9 ions cm - 2 which colocalisation tests showed did not introduce significant beam-induced changes in the cells.

Search forCPviolation usingT-odd correlations inD+→K+KS0π+π−andDs+→K+KS0π+π−decays

2010

We search for CP violation in a sample of 20,000 Cabibbo-suppressed decays, $D^+\rightarrow K^+K^0_S\pi^+\pi^-$, and 30,000 Cabibbo-favored decays, $D_s^+\rightarrow K^+K^0_S\pi^+\pi^-$. We use 520 $fb^{-1}$ of data recorded by the BaBar detector at the PEP-II asymmetric-energy $e^+e^-$ collider operating at center of mass energies near 10.6 $GeV$. We search for CP violation in the difference between the $T$-odd asymmetries obtained using triple product correlations of the $D^+$ ($D_s^+$) and $D^-$ ($D_s^-$) decays, respectively. The $T$ violation parameter values obtained are $\mathcal{A}_T(D^+) = (-12.0 \pm 10.0_{stat} \pm 4.6_{syst})\times 10^{-3}$ and $\mathcal{A}_T(D_s^+) = (-13.6 \pm …