A Photo- and Redox-Driven Two-Directional Terthiazole-Based Switch: A Combined Experimental and Computational Investigation

Terthiazoles with redox-active substituents like an N-methyl pyridinium group and ferrocene have been synthesized and their photo- and electro-chromic behaviors were investigated. The presence of two lateral N-methyl pyridinium substituents in the structure of terthiazole proved to be effective in inducing not only the reductive ring-closure of the terthiazole core but also its oxidative ring-opening reaction, leading to the first terarylene-based switch able to fully operate both photochemically and electrochemically. Moreover, the large increase in the redox potential between its open and closed form (700 mV) means that a part of the photon energy necessary to trigger the cyclization is stored in the form of chemical potential available for other works. Introduction of a second redox-active unit such as ferrocene onto the central thiazolyl moiety is found to inhibit the photochromism of the switch but not its redox switchability, which, instead, got improved for the ring-opening reaction via the redox properties of the ferrocenyl unit. The optical and redox properties of the switch in its different oxidation states are analyzed with the aid of DFT calculations in order to rationalize different switching processes.     

Synthesis of New Benzopyrano[2,3-c]pyrazoles and 3-triazolonyliminocoumarins From 3-cyano Iminocoumarin Derivatives

Synthesis of benzopyrano[2,3-c]pyrazoles and 3-triazolonyliminocoumarins was successfully performed using heterocyclization of 3-cyano iminocoumarin or their N-ethoxycarbonylated derivatives with semicarbazide reagents. Elemental analysis, infrared, and ¹H NMR spectral data confirmed the molecular structure of the newly synthesized compounds.     

Search for the stannous ion in a chloride/fluoride matrix: cases of Ba1−x Sn x Cl1+y F1−y and of Ba2SnCl6

With the exception of anhydrous SnCl₂, in divalent tin fluorides and chlorides, tin(II) is always covalent bonded, i.e. its valence orbitals are hybridized and the tin lone pair is located in one of the hybrid orbitals. This lone pair is highly stereoactive and generates a large efg, resulting in a large quadrupole splitting. A doubly disordered Ba_1?x Sn _x Cl_1+y F_1?y solid solution has been prepared and found to contain either ionic tin(II) (Sn²⁺ ions) or a mixture of ionic and covalent tin(II), depending on x, y and the method of preparation. The ionic tin(II) spectrum in Ba_1?x Sn _x Cl_1+y F_1?y gives a Mössbauer single line that is broadened by the lattice efg, like in SnCl₂. Now, Sn²⁺ has been found to be present in an undistorted octahedral coordination in a newly isolated compound, Ba₂SnCl₆. It should be the first example of Sn²⁺ that is fully ionic and has a perfectly spherical lone pair.     

On permutation quadrinomials with boomerang uniformity 4 and the best-known nonlinearity

Designs, Codes and Cryptography - Motivated by recent works on the butterfly structure, particularly by its generalization introduced by Canteaut et al. (IEEE Trans Inf Theory...     

Naphthalene‐1,5‐diammonium bis[trifluoridostannate(II)]

The structure of the title compound, (C₁₀H₁₂N₂)[SnF₃]₂, is made up of alternating layers of cations and anions, where the anion layers form extended polymeric sheets through a series of secondary Sn...F bonds. Strong N—H...F hydrogen bonds crosslink adjacent cation and anion layers, thereby building a three‐dimensional network.     

Real Paley-Wiener type theorems for the Dunkl transform on {\mathcal{S}}'(\mathbb{R}^{d})

We prove real Paley-Wiener type theorems for the Dunkl transform ℱ _D on the space of tempered distributions. Let T∈S′(ℝ ^d ) and Δ _κ the Dunkl Laplacian operator. First, we establish that the support of ℱ _D (T) is included in the Euclidean ball , M>0, if and only if for all R>M we have lim  _n→+∞ R ⁻²ⁿ Δ _κ ⁿ T=0 in S′(ℝ ^d ). Second, we prove that the support of ℱ _D (T) is included in ℝ ^d ∖B(0,M), M>0, if and only if for all R<M, we have lim  _n→+∞ R ²ⁿ  ℱ _D ⁻¹(‖y‖⁻²ⁿ ℱ _D (T))=0 in S′(ℝ ^d ). Finally, we study real Paley-Wiener theorems associated with -slowly increasing function.      

Profit maximizing coalitions with shared capacities in distribution networks

We study the distribution network structure of multiple firms in the context of demand sensitivity to market offers. The problem consists in determining the profitability of horizontal collaboration between firms in a collaborative distribution schema. It considers the case of a set of regional distribution centers (DCs) where each DC is initially dedicated solely to one firm’s distribution activities and studies when it is beneficial that the DC owners collaborate through sharing their storage-throughput capacity. Such strategic decisions are made in order to improve the distribution capabilities of firms in terms of response time and cost-efficiency compared to the stand-alone situation. The problem is modeled as a coalition formation game in a cooperative framework, and we propose a collaborative distribution game with profit maximization. Three sharing mechanisms are modeled and tested: egalitarian allocation, proportional allocation, and Shapley value. The collaboration decision conditions for a given firm are analytically derived according to the sharing method considered and used to enhance the solution approach. Our numerical results clearly highlight the impact of this innovative collaboration opportunity on the firms’ performance in terms of distribution cost savings and revenue increases. An observed behavior is that the formation of several sub-coalitions prevails over the formation of a grand coalition, and that different cost sharing methods can lead to different sub-coalitions. We also provide managerial insights on the appropriate size of a coalition in various business instances tested, and on the key drivers that foster horizontal collaborative behavior among firms.     

A level set algorithm for a class of reverse convex programs

A new algorithm is presented for minimizing a linear function subject to a set of linear inequalities and one additional reverse convex constraint. The algorithm utilizes a conical partition of the convex polytope in conjuction with its facets in order to remain on the level surface of the reverse convex constraint. The algorithm does not need to solve linear programs on a set of cones which converges to a line segment.     

Hydrogen bonding and structure of Ba2Ru2Cl10O·10H2O

Dibarium μ‐oxido‐bis[pentachloridoruthenate(IV)] decahydrate, Ba₂Ru₂Cl₁₀O·10H₂O, has been prepared from ruthenium(III) chloride and barium chloride in hydrochloric acid. It crystallizes in the monoclinic system (space group C2/c). The structure consists of alternating layers of [Ru₂Cl₁₀O]⁴⁻ and [Ba(H₂O)₇]²⁺ complex ions along the a direction. The O atom bonded to ruthenium occupies the 4e site, with symmetry, while the other atoms occupy general 8f sites. The overall structure is held together by O—H...O hydrogen bonds and O—H...Cl dipole–dipole interactions.