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.     

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     

A hierarchical heterostructure of CdS QDs confined on 3D ZnIn2S4 with boosted charge transfer for photocatalytic CO2 reduction

Metal sulfide based materials as photocatalysts for energy conversion are essential to produce value-added chemical fuels,but their intrinsically slow carrier dynamics and low activity are yet to be resolved.Herein,we developed a unique heterogeneously nanostructured ZnIn₂S₄-CdS heterostructure that involves zero-dimensional(0D)CdS quantum dots uniformly confined on three-dimensional(3D)ZnIn₂S₄nanoflowers,which achieves an excellent catalytic performance of CO₂ photoconversion under visible-light irradiation.The obtained hierarchical heterostructure can significantly enhance the light harvesting,shorten the migration distance of carriers,and obviously accelerate the transport of electrons.As evidenced by the ultrafast transient absorption spectroscopy,the formed interface can effectively facilitate charge separation and transport.This work opens up a new avenue to carefully design the elaborate heterostructures for achieving optimal charge separation efficiency by lowering interfacial kinetic barriers and energy losses at the interface.     

Rock brittleness indices and their applications to different fields of rock engineering:A review

Brittleness is an important parameter controlling the mechanical behavior and failure characteristics of rocks under loading and unloading conditions,such as fracability,cutability,drillability and rockburst proneness.As such,it is of high practical value to correctly evaluate rock brittleness.However,the definition and measurement method of rock brittleness have been very diverse and not yet been standardized.In this paper,the definitions of rock brittleness are firstly reviewed,and several representative definitions of rock brittleness are identified and briefly discussed.The development and role of rock brittleness in different fields of rock engineering are also studied.Eighty brittleness indices publicly available in rock mechanics literature are compiled,and the measurement method,applicability and limitations of some indices are discussed.The results show that(1)the large number of brittleness indices and brittleness definitions is attributed to the different foci on the rock behavior when it breaks;(2)indices developed in one field usually are not directly applicable to other fields;and(3)the term“brittleness”is sometimes misused,and many empirically-obtained brittleness indices,which lack theoretical basis,fail to truly reflect rock brittleness.On the basis of this review,three measurement methods are identified,i.e.(1)elastic deformation before fracture,(2)shape of post-peak stressestrain curves,and(3)methods based on fracture mechanics theory,which have the potential to be further refined and unified to become the standard measurement methods of rock brittleness.It is highly beneficial for the rock mechanics community to develop a robust definition of rock brittleness.This study will undoubtedly provide a comprehensive timely reference for selecting an appropriate brittleness index for their applications,and will also pave the way for the development of a standard definition and measurement method of rock brittleness in the long term.     

Mesoplasticity approach to studies of the cutting mechanism in ultra-precision machining

There have been various theoretical attempts by researchers worldwide to link up different scales of plasticity studies from the nano-, micro- and macro-scale of observation, based on molecular dynamics, crystal plasticity and continuum mechanics. Very few attempts, however, have been reported in ultra-precision machining studies. A mesoplasticity approach advocated by Lee and Yang is adopted by the authors and is successfully applied to studies of the micro-cutting mechanisms in ultra-precision machining. Traditionally, the shear angle in metal cutting, as well as the cutting force variation, can only be determined from cutting tests. In the pioneering work of the authors, the use of mesoplasticity theory enables prediction of the fluctuation of the shear angle and micro-cutting force, shear band formation, chip morphology in diamond turning and size effect in nano-indentation. These findings are verified by experiments. The mesoplasticity formulation opens up a new direction of studies to enable how the plastic behaviour of materials and their constitutive representations in deformation processing, such as machining can be predicted, assessed and deduced from the basic properties of the materials measurable at the microscale.     

Simultaneous quantification of free fatty acids,free sterols,squalene, and acylglycerol molecular species in palm oil by high-temperature gas chromatography-flame ionization detection

This paper discusses a rapid GC-FID technique for the simultaneous quantitative analysis of FFA, MAG, DAG, TAG, sterols, and squalene in vegetable oils, with special reference to palm oil. The FFA content determined had a lower SE compared with a conventional titrimetric method. Squalene and individual sterols, consisting of β-sitosterol, stigmasterol, campesterol, and cholesterol, were accurately quantified without any losses. This was achieved through elimination of tedious conventional sample pretreatments, such as saponification and preparative TLC. With this technique, the separation of individual MAG, consisting of 16∶0, 18∶0, and 18∶1 FA, and the DAG species, consisting of the 1,2(2,3)- and 1,3-positions, was sufficient to enable their quantification. This technique enabled the TAG to be determined according to their carbon numbers in the range of C₄₄ to C₅₆. Comparisons were made with conventional methods, and the results were in good agreement with those reported in the literature.     

Thermodynamic analysis of reaction pathways and equilibrium yields for catalytic pyrolysis of naphtha

The chain length and hydrocarbon type significantly affect the production of light olefins during the catalytic pyrolysis of naphtha. Herein, for a better catalyst design and operation parameters optimization, the reaction pathways and equilibrium yields for the catalytic pyrolysis of C_5–8 n/iso/cyclo-paraffins were analyzed thermodynamically. The results revealed that the thermodynamically favorable reaction pathways for n/iso-paraffins and cyclo-paraffins were the protolytic and hydrogen transfer cracking pathways, respectively. However, the formation of light paraffin severely limits the maximum selectivity toward light olefins. The dehydrogenation cracking pathway of n/iso-paraffins and the protolytic cracking pathway of cyclo-paraffins demonstrated significantly improved selectivity for light olefins. The results are thus useful as a direction for future catalyst improvements, facilitating superior reaction pathways to enhance light olefins. In addition, the equilibrium yield of light olefins increased with increasing the chain length, and the introduction of cyclo-paraffin inhibits the formation of light olefins. High temperatures and low pressures favor the formation of ethylene, and moderate temperatures and low pressures favor the formation of propylene. n-Hexane and cyclohexane mixtures gave maximum ethylene and propylene yield of approximately 49.90% and 55.77%, respectively. This work provides theoretical guidance for the development of superior catalysts and the selection of proper operation parameters for the catalytic pyrolysis of C_5–8 n/iso/cyclo-paraffins from a thermodynamic point of view.     

ADS-32型分子筛的工业化应用

介绍了抚顺石化公司烷烯分离装置中分子筛后更损方案及施工情况,并对更换后的ADS-32型分子筛在烷烯分离装置中的应用情况进行了总结.结果表明,采用该吸附剂可将烯烃纯度从88%提高到95.2%,产品收率从85%提高到92.7%,分子筛更换工作取得了成功.