180,263 research outputs found
lbusett/SpecCal: SpecCal v1.2
No full textSpecCal v.1.2
<p>SpecCal is a stand-alone IDL application for the in-field spectral calibration of high-resolution spectrometers, based on the spectral matching algorithm proposed by Meroni et al. (2010). This repository contains a copy of the software originally submitted alongside the paper by Busetto et al. "SpecCal: a novel software for in-field spectral characterization of high-resolution spectrometers" (See full details below).</p>
<p><strong>NOTE</strong> If you encounter any problems, you can report it in the "issues" page of this repository,
However, since the software is not currently actively manteined, we can't guarantee we'll be able to help.</p>
Authors:
<p>Lorenzo Busetto, PhD
Email: [email protected]</p>
<p>Michele Meroni, PhD
email: [email protected]</p>
License:
<p>GPL-3.0</p>
Citation:
<p>Please cite as:</p>
<p>L. Busetto, M. Meroni, G.F. Crosta, L. Guanter, R. Colombo, SpecCal: Novel software for in-field spectral characterization of high-resolution spectrometers, Computers & Geosciences, Volume 37, Issue 10, October 2011, Pages 1685-1691, ISSN 0098-3004, <a href="http://doi.org/10.1016/j.cageo.2010.12.005">http://doi.org/10.1016/j.cageo.2010.12.005</a>.</p>
Noncooperative oligopoly in markets with a continuum of traders
No full textIn this paper, we study three prototypical models of noncooperative oligopoly in markets with a continuum of traders : the model of Cournot-Walras equilibrium of Codognato and Gabszewicz (1991), the model of Cournot-Nash equilibrium of Lloyd S. Shapley, and the model of Cournot-Walras equilibrium of Busetto et al. (2008). We argue that these models are all distinct and only the Shapley's model with a continuum of traders and atoms gives an endogenous explanation of the perfectly and imperfectly competitive behavior of agents in a one-stage setting. For this model, we prove a theorem of existence of a Cournot-Nash equilibrium
Noncooperative Oligopoly in Markets with a Continuum of Traders
No full textIn this paper, we study three prototypical models of noncooperative oligopoly in markets with a continuum of traders : the model of Cournot-Walras equilibrium of Codognato and Gabszewicz (1991), the model of Cournot-Nash equilibrium of Lloyd S. Shapley, and the model of Cournot-Walras equilibrium of Busetto et al. (2008). We argue that these models are all distinct and only the Shapley's model with a continuum of traders and atoms gives an endogenous explanation of the perfectly and imperfectly competitive behavior of agents in a one-stage setting. For this model, we prove a theorem of existence of a Cournot-Nash equilibrium.
Ferrocenes Containing a Pendant Propargylic Chain Obtained via Addition of Propargyl Alcohol to μ-Vinyliminium Ligands in Diiron Complexes
No full textThe diiron bridging vinyliminium complexes [Fe2{μ-η1-η3-C=;N(Me)2C(R')=C(R'')}(μ-CO)(CO)(Cp)2][SO3CF3] (R' = H, R''; = SiMe3, 3a; R' = H, R'' = Tol =4-MeC6H4, 3b; R' = Me, R'' = Me, 3c; R' = SPh, R'' = Me, 3d; R' = H, R'' = Fc = [Fe(C5H4)(Cp)], 6e) react with propargyl alcohol (HC≡CCH2OH), in refluxing toluene, affording the polysubstituted ferrocenes as mixtures of two isomeric forms: [1-NMe2-2-R'-3-R''-5-CH2OCH2C≡CH-Fc] (R' = H, R'' = SiMe3, 6a; R' = H, R'' = Tol, 6b; R' = Me, R'' = Me, 6c; R' = SPh, R'' = Me, 6d, R' = H, R'' = Fc, 6e) and [1-NMe2-2-R'-3-R''-4-CH2OCH2C≡CH-Fc] (R' = H, R'' = SiMe3, 7a; R' = H, R'' = Tol, 7b; R' = Me, R'' = Me, 7c; R' = SPh, R'' = Me, 7d) in overall yields of about 55–65%. Formation of the functionalized cyclopentadienyl in the ferrocene products takes place through the assembly of two propargyl units with the bridging vinyliminium ligand: one alkynol is incorporated by a [3 + 2] cycloaddition with the bridging C3 ligand; a second alkynol unit gives rise to a pendant chain through -OH substitution. Investigations show that the substitution step is catalyzed by the parent diiron complex itself or by a mononuclear iron fragment (likely the Fp+ complex). The pendant propargyl chain has been exploited to connect the ferrocene to other molecular fragments: in particular, the reaction of 6a with 4-biphenyl azide, by copper-catalyzed azide–alkyne cycloaddition (CuAAC), leads to the formation of the triazole-functionalized ferrocene [1-NMe2-2-CH2OCH2-N3(C6H4Ph)C2H-4-SiMe3-Fc] (12). Moreover, 6a reacts with Co2(CO)8, affording the complex [Co2{μ-η2-HC≡CR}(CO)6] (13), (HC≡CR = 6a), where the alkyne adopts a η2 coordination to a dicobalt hexacarbonyl fragment. The molecular structure of 7a has been determined by X-ray diffraction studies
New cyclopentadienyl ligands and their use in organometallic chemistry and catalysis
No full textIn the course of our studies concerning the chemistry of new ester-functionalized Cp ligands, we have disclosed a new procedure for the one pot synthesis of a variety of alkoxycarbonylcyclopentadienides Na[CpCO2(CHR)2OH] (1) [R = H, Me, Ph]. These ligands provided a valuable route to novel sandwich and yhalf-sandwich metal complexes. Among these, the rhodium derivatives [Rh[CpCO2(CHR)2OH](L,L)] (2) [R = H, Me, Ph; L,L = 2CO, NBD], have been tested as hydroformylation and hydrogenation catalysts. The presence in the lateral chain of the Cp ligand of an hydroxyl functionality has been exploited to develop a new route for anchoring the rhodium complexes on the surface of suitable dendrimers and polystyrene resins
[3+2+1] cycloaddition involving alkynes, CO and bridging vinyliminium ligands in diiron complexes: a dinuclear version of the Doetz reaction?
No full textThe vinyliminium complex [Fe2{mu-eta1:eta3-C(SiMe3)=CHC=N(Me)2}(m-CO)(CO)(Cp)2][SO3CF3] reacts with HCCR (R = CPh2OH), affording a mixture of the 2,4,6 trisubstituted oxo-eta5-cyclohexadienyl complex [Fe(eta5-C6H2O(NMe2)(SiMe3)(R)], the 2,6-disubstituted phenol C6H3R'(NMe2)OH (R' = CHPh2) and 1,2,4 trisubstituted ferrocene [1-NMe2-2-R-4-SiMe3-Fc]. The corresponding reaction with HCCR (R = CMe2OH) yields analogous products: [Fe(C6H2O(NMe2)(SiMe3)R'] (R′ = CMe=CH2), the phenol C6H3R′(NMe2)OH togheter with [1-NMe2-2-R-4- SiMe3-Fc]
Alkylamino imidazolium aurate salts: synthesis, structures and applications
No full textWe have recently described the synthesis and characterization of amino-functionalized N-heterocyclic carbene complexes of silver(I), Ag(I)-NHCs, using the Boc-protected and deprotected 1-(2-aminoethyl)-3-methyl imidazolium salts [NH2(CH2)2ImMe]X, [1]X (X = I, PF6) as carbene precursors [1].
We are now presenting the preparation of a new gold(III)-alkylamino imidazolium aurate salt [Cl3AuNH2(CH2)2ImMe)][AuCl4] (2). Demonstrating the great versatility of the amino-functionalized imidazolium salts, such compound is an useful precursor for the preparation of gold nanoparticle (AuNPs) films via the layer-by-layer (LBL) assembly method [2]. Assembling appropriate polyelectrolytes such as poly(ethyleneimine) (PEI) on Indium Tin Oxide Glasses (ITO) a monolayer film of 2 can be easily grafted on the surface and after subsequent reduction, well controlled, in size and distribution, immobilized AuNPs can be generated. The morphology of the AuNPs layers was investigated by using AFM and SEM microscopy and X-ray diffraction (XRD).
References
[1] L. Busetto, M.C. Cassani, C. Femoni, A. Macchioni, R. Mazzoni, D. Zuccaccia, J. Organomet. Chem. 693, 2579 (2008).
[2] J.F. Quinn, A.P.R. Johnston, G.K. Such, A.N. Zelikin, F. Caruso, Chem. Soc. Rev. 36, 707 (2007)
PGSE NMR studies on DAB-organo-rhodium dendrimers: Evaluation of the molecular size, self-aggregation tendency, and surface metal density
No full textPGSE NMR measurements have been carried out for DAB-dendr-(NH2)(n) [n = 4 (Dab4), 8 (Dab8), 16 (Dab16), 32 (Dab32), and 64 (Dab64)] and DAB-dendr-[NH(O)COCH2CH2OC(O)C5H4Rh(NBD)](n) [n = 4 (Rh-Dab4), 8 (Rh-Dab8), 16 (Rh-Dab16), 32 (Rh-Dab32), and 64 (Rh-Dab64)] in CD2Cl2 and CD3OD as a function of the concentration. The hydrodynamic radius (r(H)) and, consequently, the hydrodynamic volume (V-H) of all the species are determined from the measured translational self-diffusion coefficients (D-t). In CD2Cl2, both Dab and Rh-Dab dendrimers show a tendency toward self-aggregation that increases with the generations. In addition, while the radii r(H) for Dab dendrimers is ca. 20-30% higher in CD3OD than in CD2Cl2, the r(H) values for Rh-Dab dendrimers are only slightly influenced by solvent variation. To estimate the Rh-Rh spatial proximity (d(Rh/Rh)) on the surface, the internal radius (r(int)) of the Dab skeleton in Rh-Dab dendrimers was (i) considered equal to that of the Dab dendrimers (model A) or (ii) evaluated assuming that the additional solvent molecules derived from the attachment of Rh to Dab dendrimers were incorporated into the elongated dendritic skeleton (model B). It was found that dRh/Rh decreases from 17.2-19.8 angstrom (Rh-Dab4) to about 14.0 angstrom (Rh-Dab64) with the increase in dendrimer generation
New diruthenium vinyliminium complexes from the insertion of alkynes into bridging aminocarbynes
No full textPrimary alkynes R′CCH [R′ = Me3Si, Tol, CH2OH, CO2Me, (CH2)4CCH, Me] insert intothe metal–carbon bond ofdiruthenium μ-aminocarbynes [Ru2{μ-CN(Me)(R)}(μ-CO)(CO)(MeCN)(Cp)2][SO3CF3] [R = 2,6-Me2C6H3 (Xyl), 1a; CH2Ph (Bz), 1b; Me, 1c] to give thevinyliminiumcomplexes [Ru2{μ-η1:η3-C(R′)CHCN(Me)(R)}(μ-CO)(CO)(Cp)2][SO3CF3] [R = Xyl, R′ = Me3Si, 2a; R = Bz, R′ = Me3Si, 2b; R = Me, R′ = Me3Si, 2c; R = Xyl, R′ = Tol, 3a; R = Bz, R′ = Tol, 3b; R = Bz, R′ = CH2OH, 4; R = Bz, R′ = CO2Me, 5a; R = Me, R′ = CO2Me, 5b; R = Xyl, R′ = (CH2)4CCH, 6; R = Xyl, R′ = Me, 7a; R = Bz, R′ = Me, 7b; R = Me, R′ = Me, 7c]. The related compound [Ru2{μ-η1:η3-C[C(Me)CH2]CHCN(Me)(Xyl)}(μ-CO)(CO)(Cp)2][SO3CF3], (9) is better prepared by reacting [Ru2{μ-CN(Me)(Xyl)}(μ-CO)(CO)(Cl)(Cp)2] (8) with AgSO3CF3 in the presence of HCCC(Me)CH2 in CH2Cl2 at low temperature.In a similar way, also secondary alkynes can be inserted to give thenewcomplexes [Ru2{μ-η1:η3-C(R′)C(R′)CN(Me)(R)}(μ-CO)(CO)(Cp)2][SO3CF3] (R = Bz, R′ = CO2Me, 11; R = Xyl, R′ = Et, 12a; R = Bz, R′ = Et, 12b; R = Xyl, R′ = Me, 13). The reactions of2–7, 9, 11–13 with hydrides (i.e., NaBH4, NaH) have been also studied, affording μ-vinylalkylidene complexes [Ru2{μ-η1:η3-C(R′)C(R′′)C(H)N(Me)(R)}(μ-CO)(CO)(Cp)2] (R = Bz, R′ = Me3Si, R′′ = H, 14a; R = Me, R′ = Me3Si, R′′ = H, 14b; R = Bz, R′ = Tol, R′′ = H, 15; R = Bz, R′ = R′′ = Et, 16), bis-alkylidene complexes [Ru2{μ-η1:η2-C(R′)C(H)(R′′)CN(Me)(Xyl)}(μ-CO)(CO)(Cp)2] (R′ = Me3Si, R′′ = H, 17; R′ = R′′ = Et, 18), acetylide compounds [Ru2{μ-CN(Me)(R)}(μ-CO)(CO)(CCR′)(Cp)2] (R = Xyl, R′ = Tol, 19; R = Bz, R′ = Me3Si, 20; R = Xyl, R′ = Me, 21) or the tetranuclear species [Ru2{μ-η1:η2-C(Me)CCN(Me)(Bz)}(μ-CO)(CO)(Cp)2]2 (23) depending on the properties ofthe hydride and the substituents on thecomplex. Chromatography of21 on alumina results in its conversion into [Ru2{μ-η3:η1-C[N(Me)(Xyl)]C(H)CCH2}(μ-CO)(CO)(Cp)2] (22). The crystal structures of2a[CF3SO3] · 0.5CH2Cl2, 12a[CF3SO3] and 22 have been determined by X-ray diffraction studies
Assessment of abdominal fat distribution in obese patients: anthropometry versus computerized tomography.
No full textThe accuracy of waist to hip girth ratio (WHR) in assessing visceral/subcutaneous abdominal fat distribution has not yet been clearly established in the obese population. The purpose of the present study was to evaluate the relationship between WHR and visceral/subcutaneous fat distribution, both assessed by computerized tomography (CT), in a group of 28 obese patients (15 male, 13 female). Furthermore, 33 normal weight or slightly overweight subjects (23 male, 10 female) were studied as a control group. Obese subjects of both sexes were found to have higher values of WHR than non-obese; conversely visceral:subcutaneous fat area ratio (VSR) values did not differ significantly. Significant correlation between WHR and BMI was present both in males (r = 0.41, P < 0.01) and in females (r = 0.54, P < 0.01). In normal weight males significant correlations between WHR and visceral fat area or VSR were found. In obese males these correlations were much weaker. In normal weight females a significant correlation was found between waist circumference and visceral fat area, whereas in obese females no positive correlations were found between anthropometric measurements and CT indices of visceral fat distribution. In conclusion, WHR cannot be considered as a reliable index of visceral/subcutaneous fat distribution in obese patients, particularly if they are females
- …
