Approach to Equilibrium for the Phonon Boltzmann Equation

We study the asymptotics of solutions of the Boltzmann equation describing the kinetic limit of a lattice of classical interacting anharmonic oscillators. We prove that, if the initial condition is a small perturbation of an equilibrium state, and vanishes at infinity, the dynamics tends diffusively to equilibrium. The solution is the sum of a local equilibrium state, associated to conserved quantities that diffuse to zero, and fast variables that are slaved to the slow ones. This slaving implies the Fourier law, which relates the induced currents to the gradients of the conserved quantities. Partially supported by the Belgian IAP program P6/02. Partially supported by the Academy of Finland.     

Lithium solvation in a PMMA membrane plasticized by a lithium‐conducting ionic liquid based on 1‐butyl‐3‐methylimidazolium bis(trifluoromethanesulfonyl)imide

The Raman and Infrared (IR) spectra of poly(methyl methacrylate) (PMMA) membranes plasticized by ionic liquids of the (1 − x)[1‐butyl‐3‐methylimidazolium bis(trifluoromethanesulfonyl)imide (BMITFSI)],xLiTFSI type, where BMI⁺ is the 1‐butyl‐3‐methylimidazolium cation and TFSI⁻ the bis(trifluoromethanesulfonyl)imide anion, are analyzed for a lithium bis(trifluoromethane sulfone)imide (LiTFSI) mole fraction x = 0.23 and PMMA contents from 0 to 50 wt%. The lithium is found to have an average coordination of about three CO groups and less than one TFSI⁻ anion. It plays the role of a cross‐linker between the ester groups of PMMA and the nonvolatile ionic liquid. Addition of PMMA to the (1 − x)(BMITFSI),xLiTFSI ionic liquid lowers the conductivity but might improve the lithium transference number by transforming the [Li(TFSI)₂]⁻ anionic clusters present in the pure ionic liquid into a mixed coordination by ester groups and TFSI⁻ anions. Copyright © 2008 John Wiley & Sons, Ltd.     

Comparison between flexural and uniaxial compression tests to measure the elastic modulus of silica aerogel

The Young’s moduli of a set of silica aerogels have been measured by two techniques: 3-point bending and uniaxial compression. The data found by the two methods differ strongly. The uniaxial compression test gives generally underestimated values of Young’s modulus, because of geometrical effects. The appropriate gauge lengths were estimated based on the discussion of Euler buckling and nonuniform stress distribution. The measured compressive moduli were analyzed to correct for machine compliance and possible misalignment under compression of the aerogels. Similarly, moduli obtained by 3-point bending depend on the length/thickness ratio of the sample, reaching equilibrium only for ratios above about 10. The corrected compressive moduli were comparable to those measured by 3-point bending on samples of sufficient length.     

Sub‐picosecond Raman spectrometer for time‐resolved studies of structural dynamics in heme proteins

We describe a pump–probe Raman spectrometer based on a femtosecond Ti:sapphire laser, an optical parametric generator and two optical parametric amplifiers for time‐resolved studies, with emphasis on the structural dynamics in heme proteins. The system provides a 100‐fs pump pulse tunable in the range 500–600 nm and a transform‐limited sub‐picosecond probe pulse tunable in the range 390–450 nm. The spectrometer has spectral (25 cm⁻¹) and temporal (∼0.7 ps) resolutions which constitute an effective compromise for identifying transient heme protein species and for following their structural evolution by spontaneous Raman scattering in the time range 0.5 ps to 2 ns. This apparatus was applied to time‐resolved studies of a broad range of heme proteins, monitoring the primary dynamics of photoinduced heme coordination state and structural changes, its interaction with protein side‐chains and diatomic gaseous ligands, as well as heme vibrational cooling. The treatment of transient Raman spectra is described in detail, and the advantages and shortcomings of spontaneous resonance Raman spectroscopy for ultrafast heme proteins studies are discussed. We demonstrate the efficiency of the constructed spectrometer by measuring Raman spectra in the sub‐picosecond and picosecond time ranges for the oxygen‐storage heme protein myoglobin and for the oxygen‐sensor heme protein FixLH in interaction with the diatomic gaseous ligands CO, NO, and O₂. Copyright © 2010 John Wiley & Sons, Ltd.     

In Vitro Calli Production Resulted in Different Profiles of Plant-Derived Medicinal Compounds in Phyllanthus amarus

The efficient production of plant-derived medicinal compounds (PDMCs) from in vitro plants requires improvements in knowledge about control of plant or organ development and factors affecting the biosynthesis pathway of specific PDMCs under in vitro conditions, leading to a realistic large-scale tool for in vitro secondary metabolite production. Thus, this study aimed to develop an in vitro technique, through the induction and proliferation of calli, for production of plant fresh weight, and to compare the PDMC profile obtained from the plants versus in vitro calli of Phyllanthus amarus. It was successfully possible to obtain and proliferate two types of calli, one with a beige color and a friable appearance, obtained in the dark using Murashige and Skoog (MS) medium plus 2,4-dichlorophenoxyacetic acid (2,4-D), and a second type with a green color, rigid consistency, and nonfriable appearance obtained under light conditions and MS medium plus 6-benzyladenine (6-BA). In vitro micropropagated plants that gave rise to calli were also acclimatized in a greenhouse and cultivated until obtaining the mass for PDMC analysis and used as a control. While the micropropagated-derived plants concentrated the lignans niranthin, nirtetralin, and phyllanthin, the Phyllanthus amarus calli proliferated in vitro concentrated a completely different biochemical profile and synthesis of compounds, such as betulone, squalene, stigmasterol, and β-sitosterol, in addition to others not identified by GC-MS database. These results demonstrate the possibility of applying the calli in vitro from Phyllanthus amarus for production of important PDMCs unlike those obtained in cultures of differentiated tissues from field plants.     

Versatile anisotropic mesh adaptation methodology applied to pure quantity of interest error estimator. Steady,laminar incompressible flow

We introduce a new flexible mesh adaptation approach to efficiently compute a quantity of interest by the finite element method. Efficiently, we mean that the method provides an evaluation of that quantity up to a predetermined accuracy at a lower computational cost than other classical methods. The central pillar of the method is our scalar error estimator based on sensitivities of the quantity of interest to the residuals. These sensitivities result from the computation of a continuous adjoint problem. The mesh adaptation strategy can drive anisotropic mesh adaptation from a general scalar error contribution of each element. The full potential of our error estimator is then reached. The proposed method is validated by evaluating the lift, the drag, and the hydraulic losses on a 2D benchmark case: the flow around a cylinder at a Reynolds number of 20.     

Coordination mode of cyclohex-1-enylolonium cation and bridging pyridyl derivatives as gem-diol chelates to rhenium(I) and (VII)

Transition Metal Chemistry - Rhenium(I) and (VII) complexes with cyclohex-1-enylolonium cation and bridging pyridyl derivatives are reported. Additionally, the CO-bridged pyridyl and their related...     

4D Printing based piezoelectric composite for medical applications

Additive manufacturing (AM), otherwise known as three‐dimensional (3D) printing, is driving major innovations in many areas, such as engineering, manufacturing, art, education, and medicine. Although a considerable amount of progress has been made in this field, additional research work is required to overcome various remaining challenges. Recently, one of the actively researched areas lies in the AM of smart materials and structures. Electroactive materials incorporated in 3D printing have given birth to 4D printing, where 3D printed structures can perform as actuating and/or sensing systems, making it possible to deliver electrical signals under external mechanical stimuli and vice versa. In this paper, we present a lightweight, low cost piezoelectric material based on the dispersion of inorganic ferroelectric submicron particles in a polymer matrix. We report on how the proposed material is compatible with the AM process. Finally, we discuss its potential applications for healthcare, especially in smart implants prostheses. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 109–115