The determination of the three-dimensional structure of barley serine proteinase inhibitor 2 by nuclear magnetic resonance, distance geometry and restrained molecular dynamics

The solution structure of the 64 residue structured domain (residues20–83) of barley serine proteinase inhibitor 2 (BSPI-2)is determined on the basis of 403 interproton distance, 34 øbackbone torsion angle and 26 hydrogen bonding restraints derivedfrom n.m.r. measurements. A total of 11 converged structureswere computed using a metric matrix distance geometry algorithmand refined by restrained molecular dynamics. The average rmsdifference between the final 11 structures and the mean structureobtained by averaging their coordinates is 1.4±0.2 Åfor the backbone atoms and 2.1±0.1 A for all atoms. Theoverall structure, which is almost identical to that found byX-ray crystallography, is disc shaped and consists of a centralfour component mixed parallel and antiparallel ß-sheetflanked by a 13 residue helix on one side and the reactivesite loop on the other.     

Alternate method for the determination of unsaponifiable matter

A method is described for the determination of unsaponifiable matter in fatty acids and mixtures of fatty and rosin acids by the use of a mixed bed ion-exchange resin.     

Combining Software and Hardware Verification Techniques

Combining verification methods developed separately for software and hardware is motivated by the industry's need for a technology that would make formal verification of realistic software/hardware co-designs practical. We focus on techniques that have proved successful in each of the two domains: BDD-based symbolic model checking for hardware verification and partial order reduction for the verification of concurrent software programs. In this paper, we first suggest a modification of partial order reduction, allowing its combination with any BDD-based verification tool, and then describe a co-verification methodology developed using these techniques jointly. Our experimental results demonstrate the efficiency of this combined verification technique, and suggest that for moderate–size systems the method is ready for industrial application.     

Modeling and finite element analysis of mechanical behavior of flexible MEMS components

This paper describes the studies of the mechanical characteristics of flexible MEMS components including theoretical approaches, finite element analysis and experimental investigations. Modeling and finite element analyses together with theoretical and experimental investigations are performed to estimate the elastic behavior of MEMS components as microcantilevers, microbridges and micromembranes. Finite element analysis of microcomponents deflections under different loading and the stress distribution in beams are determined and compared with the experimental measurements performed using an atomic force microscope. The modeling of a micromembrane supported by four hinges that enable out-of-plane motion is presented. Finite element analysis and experimental investigations are performed to visualize the deflection of the mobile part of the micromembrane under an applied force and the stress distribution in hinges. In additional, this paper provides analytical relations to compute the stiffness and the stress of the investigated flexible MEMS components.     

Influence of microfibrillated cellulose and soft biocomponent on the morphology and thermal properties of thermoplastic polyurethanes

Composite materials from thermoplastic polyurethanes (TPUs) with biodegradable segments and microfibrillated cellulose (MFC) were developed as alternatives to traditional materials used in packaging or biomedical applications. Two TPUs were synthesized by the prepolymer method starting from different soft segments, poly(ε-caprolactone)/poly(butylene adipate) (PUBA) or poly(ε-caprolactone)/poly(ethylene oxide) (PUEO), and isophorone diisocyanate/aliphatic chain extender. Proton nuclear magnetic resonance (¹H NMR) confirmed the structure and Fourier transform infrared spectroscopy (FTIR) along with scanning electron microscopy showed that the soft segments with different hydrophobicity led to a higher phase mixing in PUBA and improved microphase separation in PUEO. MFC was added in the TPUs with different soft segments to increase biocompatibility, strength, and degradation rate. A better thermal stability, a gradual increase of crystallinity and a better dispersion of MFC were noticed in PUEO composites compared to PUBA ones. The crystallinity increased with 78% and 50% in PUBA and PUEO composites with 5 wt% MFC compared to the neat polyurethanes showing the nucleating ability of MFC. In addition, the enhanced storage modulus, with 75% and 25% in PUEO and PUBA composites, highlighted the reinforcing efficiency of MFC. Therefore, the addition of MFC to the already synthesized TPUs allows tailoring the morphology and thermal properties of TPUs for industrial application.     

Deep Anomaly Detection on Tennessee Eastman Process Data

This paper provides the first comprehensive evaluation and analysis of modern (deep-learning-based) unsupervised anomaly detection methods for chemical process data. We focus on the Tennessee Eastman process dataset, a standard litmus test to benchmark anomaly detection methods for nearly three decades. Our extensive study will facilitate choosing appropriate anomaly detection methods in industrial applications. From the benchmark, we conclude that reconstruction-based methods are the methods of choice, followed by generative and forecasting-based methods.     

A binary level set model and some applications to Mumford-Shah image segmentation.

In this paper, we propose a PDE-based level set method. Traditionally, interfaces are represented by the zero level set of continuous level set functions. Instead, we let the interfaces be represented by discontinuities of piecewise constant level set functions. Each level set function can at convergence only take two values, i.e., it can only be 1 or -1; thus, our method is related to phase-field methods. Some of the properties of standard level set methods are preserved in the proposed method, while others are not. Using this new method for interface problems, we need to minimize a smooth convex functional under a quadratic constraint. The level set functions are discontinuous at convergence, but the minimization functional is smooth. We show numerical results using the method for segmentation of digital images.     

Formation of a two-dimensional electron gas in ZnO/MgZnO single heterostructures and quantum wells

The properties of ZnO/MgZnO heterostructures grown by pulsed-laser deposition on sapphire (112?0) and ZnO (0001?) have been compared. Electron accumulation layers have been observed for ZnO/MgZnO heterostructures grown on sapphire by capacitance-voltage (C-V) spectroscopy. The formation of a two-dimensional electron gas (2DEG) in these structures has been confirmed by temperature dependent Hall effect measurements. From C-V measurements the sheet carrier density in a Zn_0.8 Mg_0.2O/ZnO/Zn_0.8 Mg_0.2O quantum well (QW) structure with a well width of about 5 nm is calculated to be only about 9.0 × 10¹⁰ cm^− 2. For the films deposited on sapphire 2D growth is observed in the Burton-Cabrera-Frank mode, as confirmed by atomic force microscopy. Step flow growth mode was achieved for the homoepitaxial thin films. Quantum confinement effects have been confirmed by photoluminescence (PL) measurements. Homoepitaxial QWs are more homogeneous (smaller inhomogeneous recombination broadening) than heteroepitaxial QWs.     

Gene Therapy for Progressive Familial Intrahepatic Cholestasis: Current Progress and Future Prospects

Progressive Familial Intrahepatic Cholestasis (PFIC) are inherited severe liver disorders presenting early in life, with high serum bile salt and bilirubin levels. Six types have been reported, two of these are caused by deficiency of an ABC transporter; ABCB11 (bile salt export pump) in type 2; ABCB4 (phosphatidylcholine floppase) in type 3. In addition, ABCB11 function is affected in 3 other types of PFIC. A lack of effective treatment makes a liver transplantation necessary in most patients. In view of long-term adverse effects, for instance due to life-long immune suppression needed to prevent organ rejection, gene therapy could be a preferable approach, as supported by proof of concept in animal models for PFIC3. This review discusses the feasibility of gene therapy as an alternative for liver transplantation for all forms of PFIC based on their pathological mechanism. Conclusion: Using presently available gene therapy vectors, major hurdles need to be overcome to make gene therapy for all types of PFIC a reality.