Photothermal heterodyne imaging of individual nonfluorescent nanoclusters and nanocrystals

We introduce a new, highly sensitive, and simple heterodyne optical method for imaging individual nonfluorescent nanoclusters and nanocrystals. A 2 order of magnitude improvement of the signal is achieved compared to previous methods. This allows for the unprecedented detection of individual small absorptive objects such as metallic clusters (of 67 atoms) or nonluminescent semiconductor nanocrystals. The measured signals are in agreement with a calculation based on the scattering field theory from a photothermal-induced modulated index of refraction profile around the nanoparticle.     

The Influence of the Calcination and Water Washing Treatments on the Uranium Content in Sedimentary Phosphate Samples Using Solid State Nuclear Track Detectors and Gamma-Ray Spectrometry

The uranium and thorium contents were evaluated in the 100–400 µm granulometric fraction of different sedimentary phosphate samples by using a method based on determining the mean critical angles of etching of the CR-39 and LR-115 type II solid state nuclear track detectors (SSNTD) for detecting -particles emitted by the nuclei of the uranium-238 and thorium-232 series. Data obtained were compared with the results of -ray spectrometry measurements performed on the same samples. The influence of the calcination and water washing treatments as well as the lithology and stratigraphy on the uranium concentration of the phosphate samples was investigated.     

Facile preparation of 3-substituted 2-quinazolinones via electrogenerated base

A new series of 3,4-disubstituted quinazolin-2-ones, with potential T-type calcium channel antagonist activity, and new 4-methylene-quinazolin-2-ones, promising catalysts as N-heterocyclic olefins, have been prepared in good yield by a simple reaction between 2-aminobenzophenone, or 2-aminoacetophenone, and cyanomethyl anion electrogenerated by acetonitrile reduction at a graphite electrode, followed by the addition of different organic isocyanates and subsequent heterocyclization.     

Enveloppes inférieures de fonctions admissibles sur l'espace projectif complexe. Cas dissymétrique

This paper generalizes the first author's preceding works concerning admissible functions on certain Fano manifolds [A. Ben Abdesselem, Lower bound of admissible functions on sphere, Bull. Sci. Math. 126 (2002) 675-680 [2]; A. Ben Abdesselem, Enveloppes inférieures de fonctions admissibles sur l'espace projectif complexe. Cas symétrique, Bull. Sci. Math. 130 (2006) 341-353 [3]]. Here, we study a larger class of functions which can be less symmetric than the ones studied before. When the sup of these functions is null, we prove that they admit a lower bound, giving precisely Tian invariant [G. Tian, On Kähler-Einstein metrics on certain Kähler manifolds with C₁(M)>0, Invent. Math. 89 (1987) 225-246 [7]] (see also [T. Aubin, Réduction du cas positif de l'équation de Monge-Ampère sur les variétés Kählériennes à la démonstration d'une inégalité, J. Funct. Anal. 57 (1984) 143-153 [1]]) on these manifolds.     

Diabatic investigation for the NaRb molecule

An extensive diabatic investigation of the NaRb species has been carried out for all excited states up to the ionic limit Na^‐Rb⁺. An ab initio calculation founded on the pseudopotential, core polarization potential operators and full configuration interaction has been used with an efficient diabatization method involving a combination of variational effective hamiltonian theory and an effective overlap matrix. Diabatic potential energy curves and electric dipole moments (permanent and transition) for all the symmetries Σ⁺, Π, and Δ have been studied for the first time. Thanks to a unitary rotation matrix, the examination of the diabatic permanent dipole moment (PDM) has shown the ionic feature clearly seen in the diabatic ¹Σ⁺ potential curves and confirming the high imprint of the Na^‐Rb⁺ ionic state in the adiabatic representation. Diabatic transition dipole moments have also been computed. Real crossings have been shown for the diabatic PDM, locating the avoided crossings between the corresponding adiabatic energy curves.     

Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects

In this article, we extend a previous work toward presenting a theoretical study of the effects of Fermi resonances and the fundamental anharmonic coupling parameter α between the high‐frequency mode and the H‐bond bridge. The model incorporates (i) both intrinsic anharmonicities of the fast mode (double well potential) and the H‐bond Bridge (Morse potential), (ii) strong anharmonic coupling theory, (iii) Fermi resonances by the aid of an anharmonic coupling between the fast mode and one or several harmonic bending modes, (iv) quadratic modulation of both the angular frequency and the equilibrium position of the X? …Y stretching mode on the intermonomer ? H… motions, and (v) the quantum direct (fast and bending modes) and indirect dampings (slow mode). The IR spectral density is obtained by Fourier transform of the autocorrelation function of the transition dipole moment operator of the X? H bond. The numerical calculation shows that Fermi resonances generate very complicated profiles with multisubstructure and also provide a direct evidence of Fermi resonances which were predicted to be a major feature of H‐bonds. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

Li<Subscript>2</Subscript>HPO<Subscript>3</Subscript>, H<Subscript>2</Subscript>O: Crystal Structure and IR Spectrum

Abstract  

Crystal structure of Li₂HPO₃,H₂O was determined by single-crystal X-Ray diffraction analysis at 173(2) K. It crystallizes in the monoclinic system (P2_1/c) with the parameters: a = 5.0322(9) ?, b = 8.9795(17) ?, c = 17.088(4) ?, β = 92.672(16)° and Z = 8. The structure was refined to R = 0.0237 and ωR = 0.0650 for 1449 reflexions. The framework of Li₂HPO₃, H₂O can be described as layers perpendicular to the crystallographic c axis. The structure contains two types of Li-tetrahedrons. In one kind each O atom belongs to one HPO₃ group, while in the second kind one apex is an O from water. A network of hydrogen bonds interactions insures the connection between the layers.     

Crystal Structure and IR Study of (C<Subscript>6</Subscript>H<Subscript>5</Subscript>NH<Subscript>3</Subscript>)[ZnCl(HPO<Subscript>3</Subscript>)]

Abstract  

A new hybrid phosphate, (C₆H₅NH₃)[ZnCl(HPO₃)], has been synthesized and its structure characterized from single-crystal X-ray diffraction. The title compound crystallizes in the orthorhombic space group Pbca (n. 61) with the unit-cell parameters: a = 9.8635(2) ?, b = 9.4516(10) ?, c = 22.2430(4) ?, Z = 8 and V = 2,073.62(6) ?³. The final R factors were R/ωR = 0.0361/0.0924. Its framework might be described as a layered structure with two (010)-parallel cationic and anionic layers. The IR spectrum of this phase shows characteristic bands of phosphite and anilinium groups.     

Confidence-based optimisation for the newsvendor problem under binomial,Poisson and exponential demand

We introduce a novel strategy to address the issue of demand estimation in single-item single-period stochastic inventory optimisation problems. Our strategy analytically combines confidence interval analysis and inventory optimisation. We assume that the decision maker is given a set of past demand samples and we employ confidence interval analysis in order to identify a range of candidate order quantities that, with prescribed confidence probability, includes the real optimal order quantity for the underlying stochastic demand process with unknown stationary parameter(s). In addition, for each candidate order quantity that is identified, our approach produces an upper and a lower bound for the associated cost. We apply this approach to three demand distributions in the exponential family: binomial, Poisson, and exponential. For two of these distributions we also discuss the extension to the case of unobserved lost sales. Numerical examples are presented in which we show how our approach complements existing frequentist—e.g. based on maximum likelihood estimators—or Bayesian strategies.