A Solution‐Processed Air‐Stable Perylene Diimide Derivative for N‐type Organic Thin Film Transistors

For future all‐soluble organic thin film transistor (OTFT) applications, a new soluble n‐type air‐stable perylene diimide derivative semiconductor material with (trifluoromethyl)benzyl groups (TC–PDI–F) is synthesized. The film is formed by spin‐coating in air and optimized for OTFT fabrications. The transistor characteristics and air‐stability of the TC–PDI–F OTFTs is measured to investigate the feasibility of using solution‐processed TC–PDI–F for future OTFT applications. For all‐solution OTFT process applications, the transistor characteristics are demonstrated by using TC–PDI–F as an n‐type semiconductor material and liquid‐phase‐deposited SiO₂ (LPD–SiO₂) as a gate dielectric material. All processes (except material synthesis and electrode deposition) and electrical measurements are conducted in air.     

Complex-scaling treatment for high-lying doubly excited resonances for screened Coulomb helium atom

This work presents an investigation on the doubly excited ¹S ^e autoionizing states of screened helium atom lying below the n = 4 threshold of the He⁺ ion. The potential generated in this system is represented by a Yukawa type potential. We have employed complex-coordinate rotation method, as it is a powerful scheme to study high lying resonances. Hylleraas type wave function is used to consider the correlation effect between all the charged particles. Our resonance parameters for the resonances lying below the He⁺ (n = 2) threshold agree well with those of the existing calculations by using the stabilization method. Resonances associated with higher thresholds are new calculations. All the present results are well converged with basis length N = 444.     

Rapid-phase modulation of terahertz radiation for high-speed terahertz imaging and spectroscopy

Rapid voltage-controlled phase modulation of cw terahertz (THz) radiation is demonstrated. By transmitting an infrared beam through a lithium niobate phase modulator the phase of the THz radiation, which is generated by the photomixing of two infrared beams, can be directly modulated through a 2pi phase shift. The 100 kHz modulation rate that is demonstrated with this technique is approximately 3 orders of magnitude faster than what can be achieved by mechanical scanning.     

Carboxyl-terminated dendrimer-coated bioactive interface for protein microarray: high-sensitivity detection of antigen in complex biological samples

Protein microarrays are promising tools that can potentially enable high throughput proteomic screening in areas such as disease diagnosis and drug discovery. A critical aspect in the development of protein microarrays is the optimization of the array's surface chemistry to achieve the high sensitivity required for detection of proteins in cell lysate and other complex biological mixtures. In the present study, a high-density antibody array with minimal nonspecific cellular protein adsorption was prepared using a glass surface coated with a poly(propyleneimine) dendrimer terminated with carboxyl group (PAMAM-COOH). The carboxyl-terminated dendrimer-modified surface has almost similar nonspecific cellular protein adsorption when compared to an inert PEG-modified surface. In addition, the multiple functional sites available for reaction on the dendrimer surface facilitated high-density immobilization of antibodies and efficient capture of bioanalytes. Various molecules were tested for their ability to block or deactivate the reactive carboxyl surface after antibody immobilization to further reduce the nonspecific binding. A short oligoethylene glycol (NH2-d4-PEG-COOH), was found to significantly improve the signal-to-noise ratio of the assay, resulting in higher sensitivity. The properties and functional qualities of the various surfaces were characterized by contact angle and AFM measurements. Nonspecific protein adsorption and protein immobilization as a function of dendrimer generations and sensitivity of antigen capturing from a buffer (1 pM) as well as from the complex cell lysate (10 pM) system were examined. Our detailed experimental studies demonstrated a facile method of preparing surfaces with high protein loading and low nonspecific protein binding for the development of high sensitivity protein microarrays.     

AN ADAPTIVE FINITE ELEMENT SCHEME FOR HYDRAULIC FRACTURING WITH PROPPANT TRANSPORT

A mathematical model and adaptive finite element scheme are developed for describing the distribution of proppant in a propagating hydraulic fracture. The governing equation for proppant concentration is derived by applying the conservation law of mass to the proppant and to the proppant-laden fluid. Shah's empirical equation, which relates the proppant concentration and the indices of the non-Newtonian fluid, is used to describe the proppant-laden fluid. The proppant distribution inside a hydraulic fracture can then be obtained by solving the proppant concentration equation together with the governing equations of fluid and elasticity for a hydraulic fracturing. A novel moving grid scheme is developed that combines grid point insertion with redistribution. Four examples corresponding to different in situ stress distributions are computed to demonstrate the scheme. © 1997 by John Wiley & Sons, Ltd.     

Potential-screening on atomic wavelengths

In this article, we review or report recent works on atomic wavelengths in screening environments. We mainly review recent works on the transition, tune-out and magic wavelengths with Coulomb and screened Coulomb potentials. We also present our investigation on tune-out and magic wavelengths for two-electron Yukawa atoms. The various transition wavelengths for two-electron systems with and without screening environments are also presented.     

Folding and thermodynamic studies of Trp-cage based on polarized force field

Two replica exchange molecular dynamics (REMD) simulations were carried out to study the thermodynamics of a 20-residue Trp-cage folding based on a newly developed polarized protein-specific charge (PPC). Starting from a fully extended conformation, Trp-cage native conformation was successfully sampled using REMD based on a 3-step PPC update. Next, the obtained Trp-cage folded conformation was then used to calculate the PPC in which another REMD was performed to explore the thermodynamic stability of Trp-cage. The theoretical melting temperature T _m of ≈325 K was found to be in close agreement with experimental melting temperature, T _m of 315 K. This indicates that the PPC was correctly predicting the temperature dependence. The current study provides a direct proof of how electrostatic polarization affects protein folding.     

Preparation of bis[palladacycles] and application to asymmetric aza-Claisen rearrangement of allylic imidates

A variety of optically active bis[palladacycles] 1–3 were prepared from ferrocene. The synthetic application of these chiral catalysts in asymmetric aza-Claisen rearrangement of allylic imidates was carried out with high enantioselectivity.