Antiprotozoal and Antibacterial Activity of Ravenelin,a Xanthone Isolated from the Endophytic Fungus Exserohilum rostratum

The natural compound ravenelin was isolated from the biomass extracts of Exserohilum rostratum fungus, and its antimicrobial, antiplasmodial, and trypanocidal activities were evaluated. Ravenelin was isolated by column chromatography and HPLC and identified by NMR and MS. The susceptibility of Gram-positive and Gram-negative bacteria strains to ravenelin was determined by microbroth dilution assay. Cytotoxicity was evaluated in hepatocarcinoma cells (HepG2) and BALB/c peritoneal macrophages by using MTT. SYBR Green I-based assay was used in the asexual stages of Plasmodium falciparum. Trypanocidal activity was tested against the epimastigote and intracellular amastigote forms of Trypanosoma cruzi. Ravenelin was active against Gram-positive bacteria strains, with emphasis on Bacillus subtilis (MIC value of 7.5 µM). Ravenelin’s antiparasitic activities were assessed against both the epimastigote (IC₅₀ value of 5 ± 1 µM) and the intracellular amastigote forms of T. cruzi (IC₅₀ value of 9 ± 2 µM), as well as against P. falciparum (IC₅₀ value of 3.4 ± 0.4 µM). Ravenelin showed low cytotoxic effects on both HepG2 (CC₅₀ > 50 µM) and peritoneal macrophage (CC₅₀ = 185 ± 1 µM) cells with attractive selectivity for the parasites (SI values > 15). These findings indicate that ravenelin is a natural compound with both antibacterial and antiparasitic activities, and considerable selectivity indexes. Therefore, ravenelin is an attractive candidate for hit-to-lead development.     

Overcoming Selectivity and Sensitivity Issues of Direct Inject Electrospray Mass Spectrometry via DAPNe-NSI-MS

Direct inject electrospray mass spectrometry offers minimal sample preparation and a “shotgun” approach to analyzing samples. However, complex matrix effects often make direct inject an undesirable sample introduction technique, particularly for trace level analytes. Highlighted here is our solution to the pitfalls of direct inject mass spectrometry and other ambient ionization methods with a focus on trace explosives. Direct analyte-probed nanoextraction coupled to nanospray ionization mass spectrometry solves selectivity issues and reduces matrix effects while maintaining minimal sample preparation requirements. With appropriate solvent conditions, most explosive residues can be analyzed with this technique regardless of the nature of the substance (i.e., nitroaromatic, oxidizing salt, or peroxide).

Batch versus Flow Photochemistry: A Revealing Comparison of Yield and Productivity

The use of flow photochemistry and its apparent superiority over batch has been reported by a number of groups in recent years. To rigorously determine whether flow does indeed have an advantage over batch, a broad range of synthetic photochemical transformations were optimized in both reactor modes and their yields and productivities compared. Surprisingly, yields were essentially identical in all comparative cases. Even more revealing was the observation that the productivity of flow reactors varied very little to that of their batch counterparts when the key reaction parameters were matched. Those with a single layer of fluorinated ethylene propylene (FEP) had an average productivity 20 % lower than that of batch, whereas three‐layer reactors were 20 % more productive. Finally, the utility of flow chemistry was demonstrated in the scale‐up of the ring‐opening reaction of a potentially explosive [1.1.1] propellane with butane‐2,3‐dione.     

Quantitative Assessment of Tip Effects in Single‐Molecule High‐Speed Atomic Force Microscopy Using DNA Origami Substrates

High‐speed atomic force microscopy (HS‐AFM) is widely employed in the investigation of dynamic biomolecular processes at a single‐molecule level. However, it remains an open and somewhat controversial question, how these processes are affected by the rapidly scanned AFM tip. While tip effects are commonly believed to be of minor importance in strongly binding systems, weaker interactions may significantly be disturbed. Herein, we quantitatively assess the role of tip effects in a strongly binding system using a DNA origami‐based single‐molecule assay. Despite its femtomolar dissociation constant, we find that HS‐AFM imaging can disrupt monodentate binding of streptavidin (SAv) to biotin (Bt) even under gentle scanning conditions. To a lesser extent, this is also observed for the much stronger bidentate SAv–Bt complex. The presented DNA origami‐based assay can be universally employed to quantify tip effects in strongly and weakly binding systems and to optimize the experimental settings for their reliable HS‐AFM imaging.     

The Validity of Generalized Ginzburg-Landau Equations

We consider parabolic systems defined on cylindrical domains close to the threshold of instability, in which the Fourier modes with positive growth rates are concentrated at a non-zero critical wave number. In particular, we consider systems for which a so-called Ginzburg–Landau equation can be derived. Due to the presence of continuous spectrum, classical bifurcation theory is not available to describe bifurcating solutions. Thus, we consider a modified system with artificial spectral gap, which possesses an infinite-dimensional centre manifold. The amplitude equation on this manifold is called a generalized Ginzburg–Landau equation. From previous work [18] it is known that the Fourier modes are exponentially concentrated at integer multiples of the critical wave number. Hence, the error made by this modification is exponentially small in powers of the bifurcation parameter. The approximations obtained via the generalized Ginzburg–Landau equation are valid on a much longer time scale than those obtained by using the classical Ginzburg–Landau equation as an amplitude equation.     

Growth of hexagonal quantum dots under preferential evaporation

We perform numerical simulations of hexagonal quantum dots of AlGaN semiconductors. We show that the competition between surface mass diffusion and evaporation rules the morphology of the quantum dots. The system displays three different behaviors: presence of separated islands without a wetting layer, islands dissolving into the wetting layer, or islands that do not evolve. The first behavior is of special interest because its optoelectrical properties are significantly improved in comparison with quantum dots with a wetting layer.     

FT-IR and FT-FIR studies of vanadium,molybdenum and tungsten oxides supported on different carriers

In the far IR region at low molybdenum loadings, Mo-SiO₂ catalysts present a pseudomolybdate or a polymolybdate species, while bulk-like MoO₃ appears at loadings close to the geometrical monolayer coverage. W-SiO₂ and V-SiO₂ spectra show bands close to those observed on the corresponding bulk oxides.In the case of TiO₂, Al₂O₃, ZrO₂ supported catalysts, a band is observed near 1000 cm^–1 which is assigned to the Mo=O stretching vibration of coordinatively unsaturated Mo ⁿ⁺ ions showing a stronger interaction with the support than one observed on silica.     

Hardware components wastes pyrolysis: energy recovery and liquid fraction valorisation

Pyrolysis of hardware components wastes consisting mainly in computers and television components was performed under nitrogen. The degradation products were separated in three fractions, solid, liquid and gaseous. Analyses of the three phases were carried out using gas chromatography (GC), mass spectrometry (MS), thermal analysis and infrared spectroscopy. The energetic content of the gas phase and the economic value of the liquid phase were also determined. The gas fraction produced was rich in light hydrocarbons and hydrogen. Consequently, its calorific value was high and widely sufficient to make the pyrolysis process self-sustained. The main products of the liquid phase were phenol and isopropylphenol (ca. 50–80 wt.%). The presence of Br-based compounds, deriving from the flame retardant employed in hardware components, were also detected. A controlled combustion of the solid phase permitted to obtain the glass fibres unaltered, which can be recycled.     

Chaotic motions of a rigid rotor in short journal bearings

In the present paper the conditions that give rise to chaotic motions in a rigid rotor on short journal bearings are investigated and determined. A suitable symmetry was given to the rotor, to the supporting system, to the acting system of forces and to the system of initial conditions, in order to restrict the motions of the rotor to translatory whirl. For an assigned distance between the supports, the ratio between the transverse and the polar mass moments of the rotor was selected conveniently small, with the aim of avoiding conical instability. Since the theoretical analysis of a system's chaotic motions can only be carried out by means of numerical investigation, the procedure here adopted by the authors consists of numerical integration of the rotor's equations of motion, with trial and error regarding the three parameters that characterise the theoretical model of the system: m, the half non-dimensional mass of the rotor, , the modified Sommerfeld number relating to the lubricated bearings, and , the dimensionless value of rotor unbalance. In the rotor's equations of motion, the forces due to the lubricating film are written under the assumption of isothermal and laminar flow in short bearings. The number of numerical trials needed to find the system's chaotic responses has been greatly reduced by recognition of the fact that chaotic motions become possible when the value of the dimensionless static eccentricity % MathType!MTEF!2!1!+-% feaafiart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbnL2yY9% 2CVzgDGmvyUnhitvMCPzgarmWu51MyVXgaruWqVvNCPvMCG4uz3bqe% fqvATv2CG4uz3bIuV1wyUbqee0evGueE0jxyaibaieYlf9irVeeu0d% Xdh9vqqj-hEeeu0xXdbba9frFf0-OqFfea0dXdd9vqaq-JfrVkFHe9% pgea0dXdar-Jb9hs0dXdbPYxe9vr0-vr0-vqpWqaaeaabiGaciaaca% qabeaadaabauaaaOqaaiabew7aLnaaBaaaleaacaWGZbaabeaaaaa!4046!\[\varepsilon _s \] is greater than 0.4. In these conditions, non-periodic motions can be obtained even when rotor unbalance values are not particularly high (=0.05), whereas higher values (>0.4) make the rotor motion periodic and synchronous with the driving rotation. The present investigation has also identified the route that leads an assigned rotor to chaos when its angular speed is varied with prefixed values of the dimensionless unbalance . The theoretical results obtained have then been compared with experimental data. Both the theoretical and the experimental data have pointed out that in the circumstances investigated chaotic motions deserve more attention, from a technical point of view, than is normally ascribed to behaviours of this sort. This is mainly because such behaviours are usually considered of scarce practical significance owing to the typically bounded nature of chaotic evolution. The present analysis has shown that when the rotor exhibits chaotic motions, the centres of the journals describe orbits that alternate between small and large in an unpredictable and disordered manner. In these conditions the thickness of the lubricating film can assume values that are extremely low and such as to compromise the efficiency of the bearings, whereas the rotor is affected by inertia forces that are so high as to determine severe vibrations of the supports.Nomenclature C radial clearance of bearing (m) - D diameter of bearing (m) - e dimensional eccentricity of journal (m) - e _s value of e corresponding to the static position of the journal - E dimensional static unbalance of rotor (m) - f _x, f _y =F _x/(P), F _y/(P): non-dimensional components of fluid film force - F _x, F _y dimensional components of fluid film force (N) - g acceleration of gravity (m/s²) - L axial length of bearing (m) - m % MathType!MTEF!2!1!+-% feaafiart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbnL2yY9% 2CVzgDGmvyUnhitvMCPzgarmWu51MyVXgaruWqVvNCPvMCG4uz3bqe% fqvATv2CG4uz3bIuV1wyUbqee0evGueE0jxyaibaieYlf9irVeeu0d% Xdh9vqqj-hEeeu0xXdbba9frFf0-OqFfea0dXdd9vqaq-JfrVkFHe9% pgea0dXdar-Jb9hs0dXdbPYxe9vr0-vr0-vqpWqaaeaabiGaciaaca% qabeaadaabauaaaOqaaiabg2da9maalaaabaGaeqyYdC3aaWbaaSqa% beaacaaIYaaaaaGcbaGaeqyYdC3aa0baaSqaaGabciaa-bdaaeaaca% WFYaaaaaaakiabg2da9maalaaabaGaeqyYdC3aaWbaaSqabeaacaaI% YaaaaOGaam4qaaqaaiabeo8aZjaadEgaaaaaaa!4C14!\[ = \frac{{\omega ^2 }}{{\omega _0^2 }} = \frac{{\omega ^2 C}}{{\sigma g}}\]: half non-dimensional mass of rotor - M half mass of rotor (kg) - n angular speed of rotor (in r.p.m.=60/2) - t time     

Strong approximation ofGSBV functions by piecewise smooth functions

Let Ω be an open and bounded subset ofR ⁿ with locally Lipschitz boundary. We prove that the functionsv∈SBV(Ω,R ^m ) whose jump setS _vis essentially closed and polyhedral and which are of classW ^{k, ∞} (S _v,R ^m) for every integerk are strongly dense inGSBV ^p(Ω,R ^m ), in the sense that every functionu inGSBV ^p(Ω,R ^m ) is approximated inL ^p(Ω,R ^m ) by a sequence of functions {v _k{_j∈N with the described regularity such that the approximate gradients ∇v _jconverge inL ^p(Ω,R ^nm ) to the approximate gradient ∇u and the (n−1)-dimensional measure of the jump setsS _{v j} converges to the (n−1)-dimensional measure ofS _u. The structure ofS _v can be further improved in casep≤2.

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Sunto Sia Ω un aperto limitato diR ⁿ con frontiera localmente Lipschitziana. In questo lavoro si dimostra che le funzioniv∈SBV(Ω,R ^m ) con insieme di saltoS _v essenzialmente chiuso e poliedrale che sono di classeW ^{k, ∞} (S _v,R ^m ) per ogni interok sono fortemente dense inGSBV ^p(Ω,R ^m ), nel senso che ogni funzioneu∈GSBV ^p(Ω,R ^m ) è approssimata inL ^p(Ω,R ^m ) da una successione di funzioni {v _j}_j∈N con la regolaritá descritta tali che i gradienti approssimati ∇v _jconvergono inL ^p(Ω,R ^nm ) al gradiente approssimato ∇u e la misura (n−1)-dimensionale degli insiemi di saltoS _{v j}converge alla misura (n−1)-dimensionale diS _u. La struttura diS _vpuó essere migliorata nel caso in cuip≤2.