Gravitational stability of suspensions of attractive colloidal particles

Colloidal suspensions are susceptible to gravitationally induced phase separation. This can be mitigated by the formation of a particle network caused by depletion attraction. The effectiveness of this network in supporting the buoyant weight of the suspension can be characterized by its compressional modulus. We measure the compressional modulus for emulsion networks induced by depletion attraction and present a model that quantitatively predicts their gravitational stability. We also determine the relationship between the strength of the depletion attraction and the magnitude of the compressional modulus.     

Importance of van der Waals interaction for organic molecule-metal junctions: adsorption of thiophene on Cu(110) as a prototype

We report ab initio calculations for the interface energetics of a weakly adsorbed organic molecule on a metal surface, which serves as a model interface relevant for organic electronics. The studied thiophene ring is found to be physisorbed on the Cu(110) surface with an adsorption energy of -0.50 eV. Nonlocal correlations, i.e., van der Waals interactions, are solely responsible for the binding in this weakly interacting system, and the choice of the proper exchange-correlation function is crucially important. The adsorption of thiophene lowers the metal work function due to the formation of surface dipoles while no sizable charge transfer is found.     

Approximation of functions of Lipschitz class and solution of Fokker-Planck equation by two-dimensional Legendre wavelet operational matrix

In this paper, Lipschitz class of two-variables is considered. This is the genralization of well-known Lipschitz class of functions. A new estimator of functions belonging to generalized Lipschitz class has been obtained. Also, the solutions for the Fokker-Planck equations have been obtained for two different cases by two-dimensional Legendre wavelet operational matrix method. The approximated solutions of the time-and space-Fokker Planck equation have been compared with the exact solutions and the solutions obtained by homotopy perturbation method. The proposed scheme is simple, effective and suitable for the solution of Fokker-Planck equation.

     

Reaction of OH radical and ozone with methyl salicylate – a DFT study

A theoretical study on the reaction mechanism of methyl salicylate (MeSA), a green leaf volatile organic compound with OH radical and ozone, has been carried out using density functional theory methods using B3LYP, M06‐2X and MPW1K functionals with 6‐311++G(d,p) basis set. The atmospheric degradation pathways of MeSA with OH radical are studied under two different pathways, viz. H‐atom abstraction and electrophilic addition of OH radical. The hydrogen abstraction from –OH group is found to be the dominant reaction channel with small barrier height. Likewise, the electrophilic addition of OH radicals at the para position of MeSA is found to be favourable rather than the ortho and meta positions because of the small barrier height. However, the reaction of MeSA with respect to the addition of O₃ is initiated only through the cycloaddition to the C?C bond, resulting in primary ozonide. The Arrhenius plot for most of the addition reaction shows positive temperature dependence, while for the abstraction reaction, it exhibits negative temperature dependence over the temperature range of 278–350 K. The calculated theoretical rate constants are in good agreement with available experimental data. Overall, the addition of both OH radical and ozone possesses ability to degrade MeSA, but slower when compared with the Cl radical. Copyright © 2015 John Wiley & Sons, Ltd.     

Analysis and Characterization of Microwave Irradiation–Induced Graft Copolymerization of Methyl Methacrylate onto Delignified Grewia Optiva Fiber

Grafting of methyl methacrylate (MMA) onto delignified Grewia optiva fiber using ascorbic acid/H₂O₂ as an initiator was carried out under microwave irradiation. The effects of varying the microwave power, exposure time, and concentration of initiator and monomer of graft polymerization were studied to obtain maximum grafting percentage (26.54%). The experimental results showed that the optimal conditions for grafting were: exposure time, 10min; microwave power, 110 W; ascorbic acid concentration, 3.74mol/L × 10^?2; H₂O₂ concentration, 0.97mol/L × 10^?1; monomer concentration, 1.87mol/L × 10^?1. The graft copolymers were characterized by Fourier transform-infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), and thermogravimetric analysis (TGA).     

Fabrication of flexible conducting thin films of copper-MWCNT from multi-component aqueous suspension by electrodeposition

Flexible thin films of metal–carbon nanotube (CNT) with densely populated CNT morphology were fabricated by electrodeposition from an optimized copper bath. The substrate used for the present work is polyethylene film that was pre-deposited with electroless copper as a seed layer before CNT deposition. Optimum concentration of CNT was incorporated into copper bath and the electrodeposition was done at quiescent and agitation conditions. The bonding between the seed layer and the electrodeposited copper was good as revealed from adhesion test. Electrical as well as physical-mechanical property of the film was improved by CNT incorporation within the metal matrix. The topography and the texture of the metal–CNT deposit showed a well-refined structure as per scanning electron microscope (SEM), field emission scanning electron microscope (FE-SEM), and scanning probe microscope (SPM) analysis. The stability of the film was tested by cyclic voltammetric and stripping analysis under various applied conditions. Raman spectra and Fourier transfer infrared spectroscopic (FT-IR) analysis revealed the presence of CNT and the functionality of CNT within the copper matrix. Transmission electron microscope (TEM) analysis showed nucleation of copper on the surface of CNT walls.     

Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome,Boomerang Dysplasia,and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach

Filamins (FLN) are a family of actin-binding proteins involved in regulating the cytoskeleton and signaling phenomenon by developing a network with F-actin and FLN-binding partners. The FLN family comprises three conserved isoforms in mammals: FLNA, FLNB, and FLNC. FLNB is a multidomain monomer protein with domains containing an actin-binding N-terminal domain (ABD 1–242), encompassing two calponin-homology domains (assigned CH1 and CH2). Primary variants in FLNB mostly occur in the domain (CH2) and surrounding the hinge-1 region. The four autosomal dominant disorders that are associated with FLNB variants are Larsen syndrome, atelosteogenesis type I (AOI), atelosteogenesis type III (AOIII), and boomerang dysplasia (BD). Despite the intense clustering of FLNB variants contributing to the LS-AO-BD disorders, the genotype-phenotype correlation is still enigmatic. In silico prediction tools and molecular dynamics simulation (MDS) approaches have offered the potential for variant classification and pathogenicity predictions. We retrieved 285 FLNB missense variants from the UniProt, ClinVar, and HGMD databases in the current study. Of these, five and 39 variants were located in the CH1 and CH2 domains, respectively. These variants were subjected to various pathogenicity and stability prediction tools, evolutionary and conservation analyses, and biophysical and physicochemical properties analyses. Molecular dynamics simulation (MDS) was performed on the three candidate variants in the CH2 domain (W148R, F161C, and L171R) that were predicted to be the most pathogenic. The MDS analysis results showed that these three variants are highly compact compared to the native protein, suggesting that they could affect the protein on the structural and functional levels. The computational approach demonstrates the differences between the FLNB mutants and the wild type in a structural and functional context. Our findings expand our knowledge on the genotype-phenotype correlation in FLNB-related LS-AO-BD disorders on the molecular level, which may pave the way for optimizing drug therapy by integrating precision medicine.     

An optimized method for the synthesis of 2,6-diaminoanthracene

The reduction of 2,6-diaminoanthraquinone to 2,6-diaminoanthracene was examined under a variety of conditions. Direct reduction using zinc powder gave a mixture of the target product and 9,10-dihydro-2,6-diaminoanthracene under all the conditions examined. Protection of the starting amine, followed by borohydride reduction and deprotection, gave the target product in 14-50% yield. Finally, tin powder was used to reduce the anthraquinone to 2,6-diaminoanthrone in quantitative yield. This compound was further reduced to the target 2,6-diaminoanthracene in 55-65% yield.     

Towards CRISPR powered electrochemical sensing for smart diagnostics

Even though global health has been steadily improved, the global disease burden associated with communicable and non-communicable diseases extensively increased healthcare expenditure. The present COVID-19 pandemic scenario has again ascertained the importance of clinical diagnostics as a basis to make life-saving decisions. In this context, there is a need for developing next-generation integrated smart real-time responsive biosensors with high selectivity and sensitivity. The emergence of clustered regularly interspaced short palindromic repeats (CRISPR)/Cas biosensing systems has shown remarkable potential for developing next-generation biosensors. CRISPR/Cas integrated electrochemical biosensors (E-CRISPR) stands out with excellent properties. In this opinionated review, we illustrate the rapidly evolving applications for E-CRISPR-integrated detection systems towards biosensing and the future scope associated with E-CRISPR based diagnostics.