Nonlinear Normal Modes of Buckled Beams: Three-to-One and One-to-One Internal Resonances

Nonlinear normal modes of a fixed-fixed buckled beam about its first post-buckling configuration are investigated. The cases of three-to-one and one-to-one internal resonances are analyzed. Approximate solutions for the nonlinear normal modes are computed by applying the method of multiple scales directly to the governing integral-partial-differential equation and associated boundary conditions. Curves displaying variation of the amplitude of one of the modes with the internal-resonance-detuning parameter are generated. It is shown that, for a three-to-one internal resonance between the first and third modes, the beam may possess one stable uncoupled mode (high-frequency mode) and either (a) one stable coupled mode, (b) three stable coupled modes, or (c) two stable and one unstable coupled modes. For the same resonance, the beam possesses one degenerate mode (with a multiplicity of two) and two stable and one unstable coupled modes. On the other hand, for a one-to-one internal resonance between the first and second modes, the beam possesses (a) two stable uncoupled modes and two stable and two unstable coupled modes; (b) one stable and one unstable uncoupled modes and two stable and two unstable coupled modes; and (c) two stable uncoupled and two unstable coupled modes (with a multiplicity of two). For a one-to-one internal resonance between the third and fourth modes, the beam possesses (a) two stable uncoupled modes and four stable coupled modes; (b) one stable and one unstable uncoupled modes and four stable coupled modes; (c) two unstable uncoupled modes and four stable coupled modes; and (d) two stable uncoupled modes and two stable coupled modes (each with a multiplicity of two).     

Protein-Protein Interactions: Insight from Molecular Dynamics Simulations and Nanoparticle Tracking Analysis

Protein-protein interaction plays an essential role in almost all cellular processes and biological functions. Coupling molecular dynamics (MD) simulations and nanoparticle tracking analysis (NTA) assay offered a simple, rapid, and direct approach in monitoring the protein-protein binding process and predicting the binding affinity. Our case study of designed ankyrin repeats proteins (DARPins)—AnkGAG1D4 and the single point mutated AnkGAG1D4-Y56A for HIV-1 capsid protein (CA) were investigated. As reported, AnkGAG1D4 bound with CA for inhibitory activity; however, it lost its inhibitory strength when tyrosine at residue 56 AnkGAG1D4, the most key residue was replaced by alanine (AnkGAG1D4-Y56A). Through NTA, the binding of DARPins and CA was measured by monitoring the increment of the hydrodynamic radius of the AnkGAG1D4-gold conjugated nanoparticles (AnkGAG1D4-GNP) and AnkGAG1D4-Y56A-GNP upon interaction with CA in buffer solution. The size of the AnkGAG1D4-GNP increased when it interacted with CA but not AnkGAG1D4-Y56A-GNP. In addition, a much higher binding free energy (∆GB) of AnkGAG1D4-Y56A (−31 kcal/mol) obtained from MD further suggested affinity for CA completely reduced compared to AnkGAG1D4 (−60 kcal/mol). The possible mechanism of the protein-protein binding was explored in detail by decomposing the binding free energy for crucial residues identification and hydrogen bond analysis.     

Steady-state permeation of carbon dioxide through a miscible,glassy polymer blend

Steady-state permeation measurements are reported for carbon dioxide (CO₂) through quenched, amorphous films of a miscible blend of poly(butylene terephthalate) (PBT) and a random copolyester of bisphenol-A and iso/terephthalate acids (PAr). Permeabilities were determined at 35°C on blends with up to 60 wt % PBT and for CO₂ pressures up to 300 psi (2.06 MPa). At a fixed blend composition, the permeability, P̄, decays with driving pressure, p, as described by dual-mode models for gas transport in glassy polymers. From regression fits of the data to dual-mode model predictions for P̄(p), high-and low-pressure limiting permeabilities are determined. These decrease with PBT content in a manner indicating strong, favorable energetic interactions between the PBT and PAr components in the blend. © 1996 John Wiley & Sons, Inc.     

Molecular Nonlinear Optical Properties of Acceptors Substituted 2,2′‐Bipyridine and 1,10‐Phenathroline Complexes of Nickel Dithiolate

Linear and nonlinear optical properties of two new nickel(diimine)(dithiolate) complexes, nickel(4,4′‐dinitro2,2′‐bipyridyl)(tfd), Ni(NO₂bipy)(tfd) , (tfd = 1,2‐trifluoromethylethene‐1,2‐dithiolate) and nickel(4,7‐diphenyl‐1,10‐phenathroline)(tfd), Ni(dpphen)(tfd) are reported. Ni(NO₂bipy)(tfd) has a potent electronic acceptor substituted on the diimine ligand and exhibits an enhanced molecular first hyperpolarizability (β₀ = ?31 × 10^?30 esu), which is more than three times greater than that (β₀ = ?10 × 10^?30 esu) of Ni(dpphen)(tfd). Ni(NO₂bipy)(tfd) also possesses the longest absorption wavelength, the largest solvatochromic shift, and one of the largest dipole moment changes (‐16 debye from ground to excited state) among nickel(diimine)(dithiolate) complexes. Crystal X‐ray structure of Ni(NO₂bipy)(tfd) is used to compared the π‐bonding structure of central (N=C‐C=N)Ni(S‐C=C‐S) unit with that of previously known nickel(4,4′‐bis(butyloxycarbonyl)‐2,2′‐bipyridyl)(tfd), Ni(CO₂Bubipy)(tfd).     

On Large-Scale Friction Control in Turbulent Wall Flow in Low Reynolds Number Channels

The present study reconsiders the control scheme proposed by Schoppa & Hussain (Phys. Fluids 10, 1049–1051 1998), using a new set of numerical simulations. The computations are performed in a turbulent channel at friction Reynolds numbers of 104 (the value employed in the original study) and 180. In particular, the aim is to better characterise the physics of the control as well as to investigate the optimal parameters. The former purpose lead to a re-design of the control strategy: moving from a numerical imposition of the mean flow to the application of a volume force. A comparison between the two is presented. Results show that the original method only gave rise to transient drag reduction. The forcing method, on the other hand, leads to sustained drag reduction, and thus shows the superiority of the forcing approach for all wavelengths investigated. A clear maximum efficiency in drag reduction is reached for the case with a viscous-scaled spanwise wavelength of the vortices of 1200, which yields a drag reduction of 18 %, as compared to the smaller wavelength of 400 suggested as the most efficient vortex in Schoppa & Hussain. Various turbulence statistics are considered, in an effort to elucidate the causes of the drag-reducing effect. For instance, a region of negative production was found, which is quite unusual for developed turbulent channel flow.     

TiO2-Al2O3复合氧化物负载NiMo加氢脱硫催化剂的研究

采用溶胶凝胶技术，从Al2O3载体的表面改性出发，制备了TiO2-Al2O3复合载体。采用此改性载体制备了NiMo／TiO2-Al2O3催化剂；用中压固定床微反装置考察了载体改性对制备的催化剂的噻吩加氢脱硫(HDS)活性的影响．用透射电镜、NH3-TPD及吡啶红外光谱法对改性载体和催化剂进行了表征．结果表明，经钛溶胶改性的载体制备的催化剂与原有载体制备的催化剂相比，催化剂活性提高了20％．改性载体表面负载的钛溶胶以纳米尺寸的TiO2微粒形态存在．     

Neutral Dissociation of Superexcited Nitric Oxide Induced by Intense Laser Fields

Superexcited states of NO molecule and their neutral dissociation processes have been stud-ied both experimentally and theoretically. Neutral excited N^? and O^? atoms are detected by fluorescence spectroscopy for the NO molecule upon interaction with 800 nm intense laser radiation of duration 60 fs and intensity 0.2 PW/cm². Intense laser pulse causes neu-tral dissociation of superexcited NO molecule by way of multiphoton excitation, which is equivalent to single photon excitation in the extreme-ultraviolet region by synchrotron ra-diation. Potential energy curves (PECs) are also built using the calculated superexcited state of NO⁺. In light of the PECs, direct dissociation and pre-dissociation mechanisms are proposed respectively for the neutral dissociation leading to excited fragments N^? and O^?.     

Exploration of an Efficient Method for Optical Resolution of Etodolac

The exploration of an efficient method for resolving etodolac using either L‐cinchonidinium salt or chiral isopinocamphenol diastereomeric esters is described herein. Furthermore, racemization mechanism of chiral etodolac is rationalized in terms of an isotope labeling experiment.