Sets of type (0,n) in Steiner systems and in finite projective planes

In this paper we study the sets of type (0,n)₁ in a finite projective plane and the inclusion relations between them.     

Tuning oxygen packing in silica by nonhydrostatic pressure

The transformation of SiO2 from low pressure tetrahedral phases into denser octahedral phases takes place via the collapse of the oxygen sublattice into a close-packed arrangement. The transition paths and the resulting products are known to be affected by the presence of anisotropic stresses, which are difficult to control, so interpretation of the experimental results is problematic. Based on nonhydrostatic molecular dynamics simulations, we show that the collapse of the oxygen sublattice in the specific case of cristobalite is concomitant with the disappearance of tetrahedral units and that non hydrostatic stresses can be tuned to yield phases with different oxygen close-packed sublattices, including the alpha-PbO2-like phase, for which we provide a microscopic formation path, and phases with a cubic close packing, like anatase, not seen in experiments yet.     

A Multifunctional Subphthalocyanine Nanosphere for Targeting,Labeling, and Killing of Antibiotic‐Resistant Bacteria

Developing a material that can combat antibiotic‐resistant bacteria, a major global health threat, is an urgent requirement. To tackle this challenge, we synthesized a multifunctional subphthalocyanine (SubPc) polymer nanosphere that has the ability to target, label, and photoinactivate antibiotic‐resistant bacteria in a single treatment with more than 99 % efficiency, even with a dose as low as 4.2 J cm⁻² and a loading concentration of 10 nM . The positively charged nanosphere shell composed of covalently linked SubPc units can increase the local concentration of photosensitizers at therapeutic sites. The nanosphere shows superior performance compared to corresponding monomers presumably because of their enhanced water dispersibility, higher efficiency of singlet‐oxygen generation, and phototoxicity. In addition, this material is useful in fluorescence labeling of living cells and shows promise in photoacoustic imaging of bacteria in vivo.     

Dynamic pressure and response factors for progressive gravity waves to third order approximation

Summary This paper proposes expressions of the dynamic pressure and of the transfer functions (response factors) between the dynamic pressure amplitude and the wave amplitude and between the dynamic pressure and the vertical displacement of the wave profile, for irrotational progressive gravity waves to third order approximation (non-linear theory).Some characteristic behaviours of the dynamic pressure and of the response factors are examined and compared with those of waves to first order approximation (linear theory).

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Sommario Si ricavano le espressioni della pressione dinamica per onde irrotazionali progressive di gravità al terzo ordine di approssimazione (modello non lineare).Si individuano le funzioni di trasferimento (fattori di risposta) sia tra l'ampiezza della pressione dinamica e l'ampiezza d'onda, sia tra la pressione dinamica e lo spostamento verticale della superficie di ondulazione.Si esaminano comportamenti caratteristici della pressione dinamica e dei fattori di risposta e si confrontano tali comportamenti con quelli relativi alle onde al primo ordine di approssimazione (modello lineare).

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Synthesis of (Z)-tributylstannyl enynes: systematic studies of Sonogashira cross-coupling reactions between (E)-1-iodovinyl-1-tributylstannanes and terminal acetylenes using amines or tetrabutylammonium hydroxide (TBAOH) as activator

Sonogashira cross-coupling reactions involving (E)-iodo vinyl stannanes and terminal acetylenes were carried out in the presence of Pd(PPh₃)₄, CuI and several amines, affording (Z)-tributylstannyl enynes in moderate to good yields (62-91%). Utilizing the catalytic system containing Pd(PPh₃)₄ (5%), CuI (10%), and TBAOH (40% in aqueous media) as activator, better yields (72-91%) and lower reaction times were achieved.     

Wodzicki residue for operators on manifolds with cylindrical ends

We define the Wodzicki Residue TR(A) for A belonging to a space of operators with double order, denoted \({L^{m_1,m_2}_{\rm cl}}\). Such operators are globally defined initially on \({\mathbb{R}^n}\) and then, more generally, on a class of non-compact manifolds, namely, the manifolds with cylindrical ends. The definition is based on the analysis of the associate zeta function ζ(A, z). Using this approach, under suitable ellipticity assumptions, we also compute a two terms leading part of the Weyl formula for a positive selfadjoint operator \({A\in L^{m_1,m_2}_{\rm cl}}\) in the case m ₁ = m ₂.     

Integrated NMR and computational study of push-pull NLO probes: interplay of solvent and structural effects

In this study we combined QM calculations and NMR measurements to understand at a detailed level the complex interplay of structural/electronic properties with the effects of the solvent in the NLO activity of push-pull systems, quantified in terms of variations of the static hyperpolarizability. Different parameters (bond lengths and bond length alternation, vibrational frequencies, electronic charge distribution) are introduced and tested to rationalize both the solvent sensitivity of three molecular systems (namely, p-nitroaniline, ethyl 4-ammino benzoate, and 5-nitro-1H-indole) and the differences among them. This analysis has finally allowed us to establish a clear correlation between the charge transfer behavior of the systems, their NLO properties, and NMR parameters also validating simplified but effective chemical analyses based on resonance limit forms.     

Nitridosilicates and oxonitridosilicates: from ceramic materials to structural and functional diversity

Silicates are one of the most important classes of compounds on this planet, and more than 1000 silicates have been identified in the mineral kingdom. Additionally, several hundreds of artificial silicates have been synthesized. The substitution of oxygen by nitrogen leads to the structurally diverse and manifold class of nitridosilicates. Silicon nitride, one of the most important non-oxidic ceramic materials, is the binary parent compound of nitridosilicates, and it symbolizes the inherent material properties of these refractory compounds. However, prior to the last decades, a broad systematic investigation of nitridosilicates had not been accomplished. In the meantime, these and related compounds have reached a remarkable level of industrial application. This review illustrates recent progress in synthesis and structure-property relationships and also applications of nitridosilicates, oxonitridosilicates, and related SiAlONs.