Modulation instability analysis,optical and other solutions to the modified nonlinear Schrödinger equation

This paper studies the new families of exact traveling wave solutions with the modified nonlinear Schrödinger equation, which models the propagation of rogue waves in ocean engineering. The extended Fan sub-equation method with five parameters is used to find exact traveling wave solutions. It has been observed that the equation exhibits a collection of traveling wave solutions for limiting values of parameters. This method is beneficial for solving nonlinear partial differential equations, because it is not only useful for finding the new exact traveling wave solutions, but also gives us the solutions obtained previously by the usage of other techniques (Riccati equation, or first-kind elliptic equation, or the generalized Riccati equation as mapping equation, or auxiliary ordinary differential equation method) in a combined approach. Moreover, by means of the concept of linear stability, we prove that the governing model is stable. 3D figures are plotted for showing the physical behavior of the obtained solutions for the different values of unknown parameters with constraint conditions.     

Recent trends in ring opening of epoxides by amines as nucleophiles

β-Amino alcohols are versatile intermediates in the synthesis of various biologically potent compounds, which can also be achieved by ring opening of epoxides by amines. In the present review, focus has been placed on the ring opening of epoxides with amines under a variety of reaction parameters reported during 2011–2015. All the factors that resulted in excellent yields and high regioselectivity, are environmentally benign, and use mild conditions have been discussed in detail. In addition, the applications of these methods in the synthesis of biologically active compounds such as β-blockers have also been described.     

The crystal structure and thermal stability of [bis-picrate(pentaethylene glycol)] praseodymium(III)picrate complex

[Bis-picrate(pentaethylene glycol)]praseodymium(III) picrate, [Pr(pic)₂⋅(EO5]⁺[pic]⁻, was successfully obtained from the reaction of praseodymium nitrate hexahydrate, picric acid and pentaethylene glycol in acetonitrile–methanol as solvent. The crystal system is monoclinic with space group P2₁/c, a = 18.91419(11) Å, b = 9.0470(6) Å, c = 24.1209(14) Å and α = γ = 90^∘, β = 109.07(1)^∘, V = 3880.3(4) ų and Z = 4. The Pr atom is coordinated to the flexible and open EO5 ring via all the six oxygen atoms and two picrate ligands, one via phenoxo oxygen atom and the other one with both phenoxo and nitro oxygen atoms in a bidentate manner resulting a 9-coordinate tricapped trigonal prismatic geometry. The two picrate ligands coordinated to the Pr atom are at the opposite sides of the hexadentate EO5 ring with phenyl fragments almost perpendicular with dihedral angle of 89.7(3)^∘. Thermal analysis results show that the complex is stable up to 100^∘C when it began to slowly decompose and followed by an explosive decomposition at 290^∘C.     

Chemical synthesis of oligoribonucleotides containing 2-aminopurine: substrates for the investigation of ribozyme function

The chemical synthesis of a fully protected ribonucleoside phosphoramidite, containing 2-aminopurine as the base component, and its incorporation into short oligoribonucleotides as substrates for an engineered ribozyme from Tetrahymena is described.     

Synthesis,swelling properties,and network structure of new stimuli‐responsive poly(N‐acryloyl‐N′‐ethyl piperazine‐co‐N‐isopropylacrylamide) hydrogels

Poly(N‐acryloyl‐N′‐ethyl piperazine‐co‐N‐isopropylacrylamide) hydrogels were prepared by thermal free‐radical copolymerization of N‐acryloyl‐N′‐ethyl piperazine (AcrNEP) and N‐isopropylacrylamide (NIPAM) in solution using N, N′‐methylene bisacrylamide as the crosslinking agent. The gels were responsive to changes in external stimuli such as pH and temperature. The pH and temperature responsive character of the gels was greatly dependent on the monomer content, namely AcrNEP and NIPAM, respectively. The gels swelled in acidic (pH 2) and de‐swelled in basic (pH 10) solutions with a response time of 60 min. With increase in temperature from 23 to 80 °C the swelling of the gels decreased continuously and this effect was different in acidic and basic solutions. The temperature dependence of equilibrium water content of the gels was evaluated by the Gibbs–Helmholtz equation. Detailed analysis of the swelling properties of these new gels in relation to molecular heterogeneity in acidic (pH 2) and basic (pH 10) solutions were performed. Water transport property of the gels was studied gravimetrically. In acidic solution, the diffusion process was non‐Fickian (anomalous) while in basic solution, the diffusion was quasi‐Fickian. The effect was more evident in solution of pH 2 than in pH 10. Various structural parameters of the gels such as number‐average molar mass between crosslink (M_c), the crosslink density (ρ_c), and the mesh size (ξ) were evaluated. The mesh sizes of the hydrogels were between 64 and 783 Å in the swollen state in acidic solution and 20 and 195 Å in the collapsed state in basic solution. The mesh size increased between three to four times during the pH‐dependent swelling process. The amount of unbound water (free water) and bound water of the gels was also evaluated using differential scanning calorimetry. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Determination of rain attenuation parameters for free space optical link in tropical rain

Free space optics (FSO) is a promising communication technique for various types of services in the optical access network. Single beam FSO system in tropical rainy weather is vulnerable to atmospheric rain attenuation, so it is necessary to have precise power law parameters of rain attenuation in tropical regions. In this study, the power law parameters k, and α are estimated as 2.03 and 0.74, respectively for the FSO applications in tropical South-East Asian weather. These parameters were evaluated by using least square mean equation (LSME) method with Levenberg–Marquardt optimization based on the one year collected heavy rain data. The obtained parameter values for tropical weather are contributed to improve link performance for high-speed networks.     

Medicinal plant phytochemicals and their inhibitory activities against pancreatic lipase: molecular docking combined with molecular dynamics simulation approach

Obesity is the worst health risk worldwide, which is linked to a number of diseases. Pancreatic lipase is considered as an affective cause of obesity and can be a major target for controlling the obesity. The present study was designed to find out best phytochemicals against pancreatic lipase through molecular docking combined with molecular dynamics (MD) simulation. For this purpose, a total of 3770 phytochemicals were docked against pancreatic lipase and ranked them on the basis of binding affinity. Finally, 10 molecules (Kushenol K, Rosmarinic acid, Reserpic acid, Munjistin, Leachianone G, Cephamycin C, Arctigenin, 3-O-acetylpadmatin, Geniposide and Obtusin) were selected that showed strong bonding with the pancreatic lipase. MD simulations were performed on top five compounds using AMBER16. The simulated complexes revealed stability and ligands remained inside the binding pocket. This study concluded that these finalised molecules can be used as drug candidate to control obesity.     

Correction to: Thermal performance enhancement of shell and helical coil heat exchanger using MWCNTs/water nanofluid

Journal of Thermal Analysis and Calorimetry -     

12-Tungstophosphoric acid niched in Zr-based metal-organic framework: a stable and efficient catalyst for Friedel-Crafts acylation

Heteropoly acids(HPA) are well known for their versatile solid acid catalysis in diverse chemical reactions, however they suffer from low surface area(10 m~2/g) and leaching into the reactions media, which reduce their prospects as industrial catalyst.Herein, a novel hybrid material HPW@Zr-BTC,composed of 12-tungstophoric acid(HPW) and Zr~(Ⅳ)-benzene tri-carboxylate(Zr-BTC) metal-organic framework(MOF), was prepared via one-pot solvothermal method. Excellent HPW loading up to 32.3 wt% was achieved, and HPW@Zr-BTC composite proved to be highly stable, besides the crystalline morphology of Zr-BTC was intact. The catalytic activity of the hybrid composite was explored via Friedel-Crafts acylation of anisole with benzoyl chloride.The 28.2 wt% HPW@Zr-BTC showed excellent catalytic performance, with 99.4% anisole conversion and 97.6% yield(pmethoxybenzophenone) under solvent free conditions. Excellent retention of catalytic activity was achieved after at least five consecutive runs due to non-observable HPW leaching. The promising activity and stability of the catalyst forecasted its potential industrial applications.     

Study of H-bonded assemblies of the solvates of anthracene derivatives: guest effect on the crystal symmetry and spectroscopic properties

Two solvates of title compound 1-acetyl-3-naphthyl-5-(9-anthryl)-2-pyrazoline solvate(ANNP) (1a) with chloroform (1b) and acetic acid (1c) and a single crystal of another title compound 1-acetyl-3-(4-chloro)phenyl-5-(9-anthryl)-2-pyrazoline (ACAP) (2a) and its adduct with phenol (2b) were afforded via solution growth technique. The structure of these solids were confirmed and verified by multiple techniques such as single crystal X-ray diffraction (SCXRD) analysis, PXRD, DSC/TGA and Infrared spectroscopy. Structural analysis indicates that guest inclusion results not only in stronger hydrogen bonds, but also in a larger number of favourable C–H?π interactions between ANNP/ACAP molecules. The solvates show symmetry reduction guest effect comparing with the guest free molecules of ANNP and ACAP. Moreover, characteristic changes have been observed in the Infrared bands of the solvates owing to the formation of hydrogen bonds between host–guest.