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.     

Effect of grinding method on the analysis of essential oil from <Emphasis Type="Italic">Baccharis articulata</Emphasis> (Lam.) Pers.

Grinding methods were evaluated aiming to determine yield and composition of essential oils (EOs) from Baccharis articulata (Lam) Pers., called as carqueja, a native plant from South Brazil. Cryogenic, knife (with and without cooling) and ball mills were used. The major constituents found in EOs were β-pinene, caryophyllene, spathulenol and caryophyllene oxide, but differences in 21 compounds were observed. All grinding processes reduced monoterpenes and oxygenated sesquiterpenes with concentration of hydrocarbon sesquiterpenes. The sesquiterpenes (hydrocarbons and oxygenated) were found from 63.55 to 86.02% while the monoterpene hydrocarbons’ concentration ranged from 13.98 to 36.45%. Plants milled with knife mill provided EOs with profile similar to those not grinded. Despite the lower working temperature, cryogenic milling resulted in smaller EO yield (0.40 ± 0.03%) in comparison to other grinding methods (yields from 0.50 ± 0.02 to 0.56 ± 0.03%) and different chromatographic profile. Microscopic analysis showed the smaller particle size provided by cryogenic grinding, which leads to glandular trichome rupture and consequently to loss of EOs. This study showed that grinding should be carefully evaluated to provide reproducible results in essential oil analysis.     

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.     

A molecular dynamics study of structure, stability and fragmentation patterns of sodium bis(2-ethylhexyl)sulfosuccinate positively charged aggregates in vacuo

Positively charged supramolecular aggregates formed in vacuo by n AOTNa (sodium bis(2-ethylhexyl)sulfosuccinate) molecules and n(c) additional sodium ions, i.e. [AOT(n)Na(n+n(c))](n(c)), have been investigated by molecular dynamics (MD) simulations for n = 1-20 and n(c) = 0-5. Statistical analysis of physical quantities like gyration radii, atomic B-factors and moment of inertia tensors provides detailed information on their structural and dynamical properties. Even for n(c) = 5, all stable aggregates show a reverse micelle-like structure with an internal solid-like core including sodium counterions and surfactant polar heads surrounded by an external layer consisting of the surfactant alkyl chains. Moreover, the aggregate shapes may be approximated by rather flat and elongated ellipsoids whose longer axis increases with n and n(c). The fragmentation patterns of a number of these aggregates have also been examined and have been found to markedly depend on the aggregate charge state. In one particular case, for which experimental findings are available in the literature, a good agreement is found with the present fragmentation data.