Metabolomic Profiling of Plasma from Melioidosis Patients Using UHPLC-QTOF MS Reveals Novel Biomarkers for Diagnosis

To identify potential biomarkers for improving diagnosis of melioidosis, we compared plasma metabolome profiles of melioidosis patients compared to patients with other bacteremia and controls without active infection, using ultra-high-performance liquid chromatography-electrospray ionization-quadruple time-of-flight mass spectrometry. Principal component analysis (PCA) showed that the metabolomic profiles of melioidosis patients are distinguishable from bacteremia patients and controls. Using multivariate and univariate analysis, 12 significant metabolites from four lipid classes, acylcarnitine (n = 6), lysophosphatidylethanolamine (LysoPE) (n = 3), sphingomyelins (SM) (n = 2) and phosphatidylcholine (PC) (n = 1), with significantly higher levels in melioidosis patients than bacteremia patients and controls, were identified. Ten of the 12 metabolites showed area-under-receiver operating characteristic curve (AUC) >0.80 when compared both between melioidosis and bacteremia patients, and between melioidosis patients and controls. SM(d18:2/16:0) possessed the largest AUC when compared, both between melioidosis and bacteremia patients (AUC 0.998, sensitivity 100% and specificity 91.7%), and between melioidosis patients and controls (AUC 1.000, sensitivity 96.7% and specificity 100%). Our results indicate that metabolome profiling might serve as a promising approach for diagnosis of melioidosis using patient plasma, with SM(d18:2/16:0) representing a potential biomarker. Since the 12 metabolites were related to various pathways for energy and lipid metabolism, further studies may reveal their possible role in the pathogenesis and host response in melioidosis.     

A gradient-domain-based edge-preserving sharpen filter

As one of the most fundamental operations in computer graphics and computer vision, sharpness enhancement can enhance an image in respect of sharpness characteristics. Unfortunately, the prevalent methods often fail to eliminate image noise, unrealistic details, or incoherent enhancement. In this paper, we propose a new sharpness enhancement approach that can boost the sharpness characteristics of an image effectively with affinity-based edge preserving. Our approach includes three gradient-domain operations: sharpness saliency representation, affinity-based gradient transformation, and gradient-domain image reconstruction. Moreover, we also propose an evaluation method based on sharpness distribution for analyzing all sharpness enhancement approaches in respect of sharpness characteristics. By evaluating the sharpness distribution and comparing the visual appearance, we demonstrate the effectiveness of our sharpness enhancement approach.     

High Hole Mobility of GaSb Relaxed Epilayer Grown on GaAs Substrate by MOCVD through Interfacial Misfit Dislocations Array

The structural property of GaSb epilayers grown on semi-insulator GaAs (001) substrate by metalorganic chemical vapor deposition (MOCVD) using Triethylgallium (TEGa) and trimethylantimony (TMSb),was investigated by variation of the Sb:Ga (V/III) ratio.An optimum V/III ratio of 1.4 was determined in our growth conditions.Using transmission electron microscopy (TEM),we found that there was an interfacial misfit dislocations (IMF) growth mode in our experiment,in which the large misfit strain between epilayer and substrate is relaxed by periodic 90 deg.IMF array at the hetero-epitaxial interface.The rms roughness of a 300 nm-thick GaSb layer is only 2.7 nm in a 10 μm×10 μm scan from atomic force microscopy (AFM) result.The best hole density and mobility of 300 nm GaSb epilayer are 5.27×10 6 cm 3 (1.20×10 6) and 553 cm 2 ·V 1 ·s 1 (2340) at RT (77 K) from Hall measurement,respectively.These results indicate that the IMF growth mode can be used in MOCVD epitaxial technology similar to molecular beam epitaxy (MBE) technology to produce the thinner GaSb layer with low density of dislocations and other defects on GaAs substrate for the application of devices.     

Modeling of a membrane reactor system for crude palm oil transesterification. Part II: Transport phenomena

The mechanistic modeling of biodiesel production process in membrane reactor with the consideration of chemical reaction, phase equilibrium, and ultrafiltration is important for the membrane reactor design. In part II of this work, the chemical and phase equilibrium (CPE) model for crude palm oil transesterification reaction in the membrane reactor developed in part I is extended to an integration of CPE with modified Maxwell–Stefan model, which considers multicomponent mass transport phenomena of concentration polarization and intramembrane. A good fit of simulated permeate fluxes and apparent solute rejection to the experimental data shows that the model has a good prediction capability. Reversible fouling was found to be the major fouling and no pore plugging was observed. Simulation results verified that micelles were retained by the membrane at CPO:MEOH molar ratio of 1:24 and catalyst concentration of 0.5 wt %. However, phase inversion happened when catalyst concentration of 0.05 and 0.1 wt % were used. © 2015 American Institute of Chemical Engineers AIChE J, 61: 1981–1996, 2015     

Quality assurance of Chinese herbal medicines: Procedure for multiple‐herb extraction

A quality assurance (QA) procedure for multiple‐herb extraction, which takes into account the existence of common chemical markers and multiple‐herb‐extraction effects, has been developed for producing Chinese herbal medicines (CHMs) of consistent quality. The experimental method for determining related correlation function of the multiple‐herb‐extraction effect was designed. A systematic solution strategy was also developed to appropriately decompose the multiple‐herb extraction system into several subsystems for obtaining solution(s) and determining the overall behavior of the system. An example of QA of Danshen–Gegen (DG) decoction was used to demonstrate the QA procedure. An H9c2 cell assay was used to test the efficacy of consistent quality DG decoctions prepared by different herb combinations with different material costs of herbs. It was observed that a multiple‐herb‐extraction effect was present in the aqueous extraction of Danshensu and this effect was depended on the extraction solvent. The possible mechanism of this multiple‐herb‐extraction effect in the aqueous DG extraction was speculated to be the change of initial pH value of the aqueous extraction solvent by an unknown component from Gegen. The experimental chemical marker concentrations fell within ±10% of the specified chemical marker compositions by using the amount of herb from each herb class as predicted by the QA model. Furthermore, an H9c2 cell assay was used to test the efficacy of three consistent quality DG extracts, which were produced by different herb combinations with different material costs of herbs. The results showed that the three DG extracts provided consistent biological efficacy against menadione‐induced toxicity. This study extended a recently developed QA procedure of single‐herb extraction to multiple‐herb extraction. It provides a solution of QA in extraction, which is one of the most important unresolved problems in the modernization of traditional Chinese medicines. With this modified model and the companion experiments, the amount of herbs needed from different quality classes to produce a multiple‐herb formula CHM product decoction with consistent quality can be exactly determined. © 2014 American Institute of Chemical Engineers AIChE J 60: 4014–4026, 2014     

Elastic moduli of a liquid crystalline polymer and its in-situ composites

The elastic moduli of a liquid crystalline polyesteramide (LCP) and polycarbonate/LCP in-situ composites with 10 to 80 wt% of LCP have been measured as functions of draw ratio λ from 1 to 15 by an ultrasonic method. For the LCP, the sharp rise of the axial Young's modulus E₃ and the slight decreases of the transverse Young's modulus E₁ and the axial (C₄₄) and transverse (C₆₆) shear modulus with increasing λ result from the alignment of chains along the draw direction. E₁, C₄₄, and C₆₆ follow the lower bounds calculated using the series coupling scheme of the aggregate model. Although E₃ lies close to the lower bound at low λ, it follows the upper bound calculated according to the parallel coupling scheme at λ > 3. The elastic moduli of the composites have similar draw ratio dependences as those of the LCP. The strong increase in E₃ with increasing λ arises from the higher aspect ratio of the LCP domains in the composites and the improved molecular orientation within the domains. The reinforcement effect on the other moduli is much weaker, with E₁ and C₄₄ of the composites only 5 to 30% higher than those of polycarbonate at λ = 15. Since C₆₆ of the LCP decreases to a value below that of polycarbonate at λ > 2, there is a positive reinforcement effect at low λ but a negative effect at high λ.     

COSMO-RS:An ionic liquid prescreening tool for gas hydrate mitigation

Recently ionic liquids(ILs) are introduced as novel dual function gas hydrate inhibitors. However, no desired gas hydrate inhibition has been reported due to poor IL selection and/or tuning method. Trial error as well as selection based on existing literature are the methods currently employed for selecting and/or tuning ILs. These methods are probabilistic, time consuming, expensive and may not result in selecting high performance ILs for gas hydrate mitigation. In this work, COSMO-RS is considered as a prescreening tool of ILs for gas hydrate mitigation by predicting the hydrogen bonding energies(E_(HB)) of studied IL inhibitors and comparing the predicted E_(HB) to the depression temperature(?) and induction time. Results show that, predicted EHBand chain length of ILs strongly relate and significantly affect the gas hydrate inhibition depression temperature but correlate moderately(R = 0.70) with average induction time in literature. It is deduced from the results that, ? increases with increasing IL EHBand/or decreases with increasing chain length. However, the cation–anion pairing of ILs also affects IL gas hydrate inhibition performance. Furthermore, a visual and better understanding of IL/water behavior for gas hydrate inhibition in terms of hydrogen bond donor and acceptor interaction analysis is also presented by determining the sigma profile and sigma potential of studied IL cations and anions used for gas hydrate mitigation for easy IL selection.     

CRITICAL SELF-ASSEMBLY CONCENTRATION OF AN IONIC-COMPLEMENTARY PEPTIDE EAK16-I

Understanding the process of self-assembly of peptides has been important in various biomedical engineering applications. This work focuses on the effect of peptide concentration on the molecular self-assembly of an ionic-complementary peptide, EAK16-I (AEAKAEAKAEAKAEAK), in aqueous solution. The surface tension and self-assembled nanostructures were determined for a wide range of peptide concentrations using axisymmetric drop shape analysis-profile (ADSA-P) and atomic force microscopy (AFM), respectively. Surface tension measurements revealed a critical self-assembly concentration of 0.3 mg peptide/ml water, below which the surface tension decreased rapidly with increasing peptide concentration, and above which the surface tension remained at a constant, plateau value. There were two structural transitions observed with increasing peptide concentration: the first was from globular nanostructures to fibrils, and the second from the fibrils to relatively thick fibers. The second structural transition occurred at the critical self-assembly concentration as determined by the surface tension measurements. The nanostructural behavior of EAK16-I was compared with that of EAK16-II, which has the same amino acid composition but a different charge distribution. Salt effects were also examined by adding NaCl to the peptide solution. The salt addition facilitated the formation of peptide fibrils at low peptide concentrations but increased the critical self-assembly concentration, which occurred at 0.8 mg peptide/ml water in the presence of 20 mM NaCl. The structural transitions involved in the self-assembly of EAK16-I resemble those from protofibrils to fibrils observed with numerous naturally occurring peptides. An understanding of this structural transition may have relevance in the analysis and treatment of peptide/protein conformational diseases and have application in the production of self-assembled protein nanostructures.