Analytical and statistical studies of Rodriguez–Velazquez indices

Journal of Mathematical Chemistry - In this work we perform analytical and statistical studies of the Rodríguez–Velázquez (RV) indices on graphs G. The topological RV(G) indices,...     

Secondary Metabolites of Clinacanthus nutans

Chemistry of Natural Compounds -     

Secondary Metabolites of Mahonia bealei

Chemistry of Natural Compounds -     

Optical Emission Spectroscopy Study of Plasma-Precursor Interactions in TiO2 Suspension Plasma Spray

Plasma Chemistry and Plasma Processing - The influence of plasma power on liquid precursor decomposition in suspension plasma spray (SPS) is studied with optical emission spectroscopy (OES). The...     

Acetylene Derivatives of Cationic Diazaoxatriangulenes and Diaza [4]Helicenes - Access to Red Emitters and Planar Chiral Stereochemical Traits

Cationic triangulenes, and related helicenes, constitute a rich class of dyes and fluorophores, usually absorbing and emitting light at low energy, in the orange to red domains. Recently, to broaden the scope of applications, regioselective late-stage functionalizations on these core moieties have been developed. For instance, with the introduction of electron-donating groups (EDGs), important bathochromic shifts are observed pushing absorptions towards or in the near-infrared (NIR) spectral domain while emissive properties disappear essentially completely. Herein, to upset this drawback, acetylene derivatives of cationic diazaoxa triangulenes (DAOTA) and [4]helicenes are prepared (16 examples). Contrary to other EDG-functionalized derivatives, C≡C− functionalized products remain broadly fluorescent, with red-shifted absorptions (Δλ_abs up to 25 nm) and emissions (Δλ_em up to 73 nm, Φ_PL up to 51 %). Quite interestingly, a general dynamic stereoisomerism phenomenon is evidenced for the compounds derived from achiral DAOTA cores. At low temperature in ¹H NMR spectroscopy (218 K), N−CH₂ protons become diastereotopic with chemical shifts differences (Δδ) as high as +1.64 ppm. The signal coalescence occurs around 273 K with a barrier of ∼12 kcal mol⁻¹. This phenomenon is due to planar chiral conformations (S_p and R_p configurations), induced by the geometry of the alkyl (n-propyl) side-chains next to the acetylenic substituents. Ion pairing studies with Δ-TRISPHAT anion not only confirm the occurrence of the chiral conformations but evidence a moderate but definite asymmetric induction from the chiral anion onto the cations. Finally, DFT calculations offer a valuable insight on the geometries, the corresponding stereodynamics and also on the very large difference in NMR for some of the diastereotopic protons.     

Dewatering of cellulose nanofibrils using ultrasound

Although cellulose nanomaterials have promising properties and performance in a wide application space, one hinderance to their wide scale industrial application has been associated with their economics of dewatering and drying and the ability to redisperse them back into suspension without introducing agglomerates or lose of yield. The present work investigates the dewatering of aqueous suspensions of cellulose nanofibrils (CNFs) using ultrasound as a potentially low-cost, non-thermal, and scalable alternative to traditional heat-based drying methods such as spray drying. Specifically, we use vibrating mesh transducers to develop a direct-contact mode ultrasonic dewatering platform to remove water from CNF suspensions in a continuous manner. We demonstrate that the degree of dewatering is modulated by the number of transducers, their spatial configuration, and the flow rate of the CNF suspension. Water removal of up to 72 wt.% is achieved, corresponding to a final CNF concentration of 11 wt.% in 30 min using a two-transducer configuration. To evaluate the redispersibility of the dewatered CNF material, we use a microscopic analysis to quantify the morphology of the redispersed CNF suspension. By developing a custom software pipeline to automate image analysis, we compare the histograms of the dimensions of the redispersed dewatered fibrils with the original CNF samples and observe no significant difference, suggesting that no agglomeration is induced due to ultrasonic dewatering. We also perform SEM analysis to evaluate the nanoscale morphology of these fibrils showing a width range of 20 nm–4 um. We estimate that this ultrasound dewatering technique is also energy-efficient, consuming up to 36% less energy than the enthalpy of evaporation per kilogram of water. Together with the inexpensive cost of transducers (<?$1), the potential for scaling up in parallel flow configurations, and excellent redispersion of the dewatered CNFs, our work offers a proof-of-concept of a sustainable CNF dewatering system, that addresses the shortcomings of existing techniques.

     

Experiments on crack identification in cantilever beams

In this paper we present an experimental investigation of the identification of crack location and size. By providing the first three natural frequencies through vibration measurements, curves of crack equivalent stiffness versus crack location are plotted, and the intersection of the three curves predicts the crack location and size. In the experiments, the cracked specimens were made using a wire-cut electrical discharge machine, and the cantilever beams were excited next to the free end by means of an impulse force hammer. In order to obtain the accurate natural frequencies from the transient signal measured, the method of zoom fast Fourier transform is adopted to improve frequency resolution. From experimental results, it is observed that the identification errors of crack location and size are less than 2% and 4%, respectively. The effectiveness of crack identification through vibration measurements is verified.     

Miscible Thermo-Viscous Fingering Instability in Porous Media. Part 1: Linear Stability Analysis

The development of the thermo-viscous fingering instability of miscible displacements in homogeneous porous media is examined. In this first part of the study dealing with stability analysis, the basic equations and the parameters governing the problem in a rectilinear geometry are developed. An exponential dependence of viscosity on temperature and concentration is represented by two parameters, thermal mobility ratio β _T and a solutal mobility ratio β _C , respectively. Other parameters involved are the Lewis number Le and a thermal-lag coefficient λ. The governing equations are linearized and solved to obtain instability characteristics using either a quasi-steady-state approximation (QSSA) or initial value calculations (IVC). Exact analytical solutions are also obtained for very weakly diffusing systems. Using the QSSA approach, it was found that an increase in thermal mobility ratio β _T is seen to enhance the instability for fixed β _C , Le and λ. For fixed β _C and β _T , a decrease in the thermal-lag coefficient and/or an increase in the Lewis number always decrease the instability. Moreover, strong thermal diffusion at large Le as well as enhanced redistribution of heat between the solid and fluid phases at small λ is seen to alleviate the destabilizing effects of positive β _T . Consequently, the instability gets strictly dominated by the solutal front. The linear stability analysis using IVC approach leads to conclusions similar to the QSSA approach except for the case of large Le and unity λ flow where the instability is seen to get even less pronounced than in the case of a reference isothermal flow of the same β _C , but β _T  = 0. At practically, small value of λ, however, the instability ultimately approaches that due to β _C only.