A simple approach for protein structure discrimination based on the network pattern of conserved hydrophobic residues

Evolutionarily conserved hydrophobic residues at the core of protein structures are generally assumed to play a structural role in protein folding and stability. Recent studies have implicated that their importance to protein structures is uneven, with a few of them being crucial and the rest of them being secondary. In this work, we explored the possibility of employing this feature of native structures for discriminating non-native structures from native ones. First, we developed a network tool to quantitatively measure the structural contributions of individual amino acid residues. We systematically applied this method to diverse fold-type sets of native proteins. It was confirmed that this method could grasp the essential structural features of native proteins. Next, we applied it to a number of decoy sets of proteins. The results indicate that such an approach indeed identified non-native structures in most test cases. This finding should be of help for the investigation of the fundamental problem of protein structure prediction.     

Chemiresistive vapor sensing with microscale films of gold monolayer protected clusters

Here we report the stability, conductivity, and vapor-sensing properties of microcontact-printed films of 1.6-nm average diameter hexanethiolate-coated gold monolayer protected clusters (C6 Au MPCs). The C6 Au MPCs were stamped into parallel lines (approximately 1.2 microm wide and 400 nm thick) across two Au electrodes separated by a 1-microm gap. The chemiresistive vapor-sensing properties were measured for saturated toluene and 2-propanol vapors. As-prepared patterned Au MPC films were unstable in the presence of saturated toluene vapor, and their current response was irreversible. Chemically linking the films with vapor-phase hexanedithiol greatly improves their stability and leads to reversible responses. The extent of Au MPC cross-linking and vapor response to organic vapors varies with different exposure times to dithiol vapor. The response to toluene changed from 61 to 8% for exposures of 1 and 60 min, respectively, which is likely due to greater film flexibility with less dithiol exposure. The current measured through the films varies from 10(-11) to 10(-3) Angstroms as a function of the temperature between 250 and 320 degrees C, which correlates with the loss of organic material as measured by FT-IR spectroscopy and the change in thickness and width of the film as measured by atomic force microscopy. The vapor-sensing properties vary with temperature, current, and organic content in the film, which are all interrelated. Response to toluene decreased with increasing temperature and conductivity, while the response to 2-propanol was less predictable. Reducing the size of vapor-sensing devices based on Au MPCs is important for creating highly portable devices that can simultaneously detect multiple analytes. This work demonstrates a simple method for reducing the size of such devices down to the microscale and describes methods for maximizing response, stability, and reversibility.     

Influence of substrate temperature on structural,optical, and electrical properties of flash evaporated CuIn0.81Al0.19Se2 thin films

Chalcopyrite copper indium aluminum diselenide (CuIn_0.81Al_0.19Se₂) compound is prepared by direct reaction of high purity elemental copper, indium, aluminum and selenium in their stoichiometric proportion. Structural and compositional characterizations of pulverized material confirm the formation of a single phase, polycrystalline nature. CuInAlSe₂ (CIAS) thin films are deposited on organically cleaned soda lime glass substrates using flash evaporation technique by varying the substrate temperatures in the range from 423 K to 573 K. Influence of substrate temperature observed by X-ray diffraction (XRD), scanning electron microscope (SEM), optical and electrical measurement. CIAS Films grown at different substrate temperatures are polycrystalline in nature, exhibiting a chalcopyrite structure with lattice parameters a = ∼0.576 nm and c = ∼1.151 nm. The crystallinity in the films increases with increasing substrate temperature up to 473 K, and tend to degrade at higher substrate temperatures. Optical band gap is in the range of 1.20 eV–1.38 eV and the absorption coefficient is close to 10⁵ cm⁻¹. Electrical characterization reveals p-type conductivity and the structural, morphological and optical properties indicate potential use of CIAS thin films as an absorber layer for thin film solar cell applications.     

Modeling of Source Pocket Engineered PNPN Tunnel FET on High-K Buried Oxide (H-BOX) Substrate for Improved ON Current

Silicon - In this paper, an analytical model has been developed for a single gate tunnel FET, introduced with a highly doped pocket in the vicinity of the source-channel junction and the bottom...     

Electrostatic characteristics of a high-k stacked gate-all-around heterojunction tunnel field-effect transistor using the superposition principle

Journal of Computational Electronics - We use the superposition method to model the electrostatic characteristics of a high-k stacked gate-all-around heterojunction tunneling field-effect...