Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

Suitability,efficiency and microbiological safety of novel physical technologies for the processing of ready‐to‐eat meals,meats and pumpable products

Consumer studies and market reports show an increase in consumption of ready‐to‐eat (RTE) foods. Although conventional processing technologies can in most cases produce safe products, they can also lead to the degradation of nutritional compounds and negatively affect quality characteristics. Consumers strongly prefer food that is minimally processed with the maximum amount of health‐promoting substances. Novel processing technologies as pre‐ or post‐treatment decontamination methods or as substitutes of conventional technologies have the potential to produce foods that are safe, rich in nutrient content and with superior organoleptic properties. Combining novel with conventional processes can eliminate potential drawbacks of novel technologies. This review examines available scientific information and critically evaluates the suitability and efficiency of various novel thermal and nonthermal technologies in terms of microbial safety, quality as well as nutrient content on the production of RTE meals, meats and pumpable products.     

Study of Compatibilized Liquid Crystalline Polymer/Cyclic Olefin Copolymer Blends

The technology to produce compatibilized blends of liquid crystalline polymer and highly amorphous cyclic olefin copolymers through two novel approaches were studied. The first approach was to use silane-functionalized halloysite nanotube as nonspecific compatibilizer and the second method was reactive compatibilization. The study of blends and their resulting microstructure; their thermal, mechanical, and viscoelastic properties were investigated. The kinetic study of blends compatibilized through both routes was performed.     

制导炸弹半实物仿真系统误差对仿真结果的影响

在制导炸弹半实物仿真试验中经常发现,同一发制导炸弹多次仿真的俯仰角差别较大,同一批次制导炸弹投弹试验的遥测俯仰角与仿真俯仰角差别也较大,但是俯仰角的收敛趋势均一致,实测脱靶量与仿真脱靶量都合格,且具有一致性。为了分析出现上述现象的原因,基于协方差分析描述函数法(CADFT),建立了制导炸弹半实物仿真系统的误差传播理论,计算了仿真姿态角和姿态角速度的误差。分析了仿真姿态角和姿态角速度的误差对仿真结果的影响。结果表明,在仿真系统各种误差中,气动力和气动力矩误差是主要误差,是引起仿真俯仰角差别的重要原因; 姿态角的动态验模方法不适用于制导炸弹仿真模型,而脱靶量的静态验模方法适用于制导炸弹仿真模型。     

Comparative studies on thermal and toughness properties of polybenzoxazine composites with two functionalized graphene oxides

Abstract

Graphene oxide (GO) was functionalized by polyether amine (PEA) via two methods which were one-pot modification in acetone (GON) and two steps with the intermediate product of GOCO-Cl generated (GONS). There were more PEA successfully grafted onto GO for GONS than GON. The onset polymerization temperatures of the benzoxazine (Bz) composites decreased by the inclusion of 1?wt% of GO, GON or GONS. Thermal stability of the polybenzoxazine (PBz) composites was significantly improved indicated from the increase of weight loss temperature. T₁₀, T₂₀ and T₅₀ values of the composites with GONS were higher than that of the others. Toughness of PBzs may be enhanced by the incorporation of nanofillers, and GONS had stronger interfacial interaction with PBz matrix than GON.     

Modified embedded-atom method interatomic potential for the Mg–Zn–Ca ternary system

Mg–Zn–Ca alloys are representative Mg alloys with high formability at room temperature. Their high formability is thought to be related to slip, twinning, and recrystallization of the alloys, but the detailed mechanisms have not yet been clarified. To enable atomistic simulations for investigating those behaviors, an interatomic potential for the Mg–Zn–Ca ternary system was developed. The development was based on the second nearest-neighbor modified embedded-atom method formalism, combining previously developed Mg–Zn and Mg–Ca potentials with the newly developed Zn–Ca binary potential. The Zn–Ca and Mg–Zn–Ca potentials reproduce structural, elastic, and thermodynamic properties of compounds and solution phases of relevant alloy systems in reasonable agreement with experimental data, first-principles and CALPHAD calculations. The applicability of the developed potentials is demonstrated through calculations of the effects of Zn and Ca solutes on the generalized stacking fault energy for various slip systems, segregation energy on twin boundaries, and volumetric misfit strain.     

海上稠油油田蒸汽吞吐产量确定新方法

针对目前蒸汽吞吐产量预测模型假设条件简单、普适性差等问题,一般采用测试法和类比法综合确定海上稠油油田蒸汽吞吐初期产量。由于目前海上油田通常只开展常规测试,无法直接获得热采开发初期产量。笔者提出海上稠油油田蒸汽吞吐初期产量确定新方法,建立蒸汽吞吐相对于常规开发的初期产量倍数预测模型,通过蒸汽吞吐产量倍数,将常规测试确定的产量转化为蒸汽吞吐产量。研究表明,蒸汽吞吐初期产量倍数主要受储集层渗透率、原油黏度、注入强度、蒸汽干度等因素影响,利用正交试验设计和多元回归等方法,建立海上稠油油田蒸汽吞吐初期产量倍数与油藏地质参数及注入参数之间的非线性预测模型,该模型经实际生产数据验证,预测误差小于5%,可靠性高,能够为海上稠油油田蒸汽吞吐初期产量的确定提供依据。     

Flame Front Deformation Instabilities of Filtration Combustion for Initial Thermal Perturbation

The flame front deformation instability of low-velocity filtration combustion within an inert packed bed is studied based on the initial preheating non-uniformity. Based on the experimental phenomena, an initial thermal perturbation model is numerically proposed so as to predict the deformation behaviors of the flame front instabilities. The numerical prediction indicates that the assumption of an initial thermal perturbation is a feasible explanation as the cause of the flame front inclination instability. As the initial thermal perturbation increases, the phenomena of the flame front break and shrinking instabilities could easily occur at high filtration velocity or low equivalence ratio. Moreover, the evolutions of the flame front break rate and the shrinking rate are quantitatively analyzed.     

PETROLEUM POTENTIAL, THERMAL MATURITY AND THE OIL WINDOW OF OIL SHALES AND COALS IN CENOZOIC RIFT BASINS, CENTRAL AND NORTHERN THAILAND

Oil shales and coals occur in Cenozoic rift basins in central and northern Thailand. Thermally immature outcrops of these rocks may constitute analogues for source rocks which have generated oil in several of these rift basins. A total of 56 oil shale and coal samples were collected from eight different basins and analysed in detail in this study. The samples were analysed for their content of total organic carbon (TOC) and elemental composition. Source rock quality was determined by Rock‐Eval pyrolysis. Reflected light microscopy was used to analyse the organic matter (maceral) composition of the rocks, and the thermal maturity was determined by vitrinite reflectance (VR) measurements. In addition to the 56 samples, VR measurements were carried out in three wells from two oil‐producing basins and VR gradients were constructed. Rock‐Eval screening data from one of the wells is also presented. The oil shales were deposited in freshwater (to brackish) lakes with a high preservation potential (TOC contents up to 44.18 wt%). They contain abundant lamalginite and principally algal‐derived fluorescing amorphous organic matter followed by liptodetrinite and telalginite (Botryococcus‐type). Huminite may be present in subordinate amounts. The coals are completely dominated by huminite and were formed in freshwater mires. VR values from 0.38 to 0.47%R_o show that the exposed coals are thermally immature. VR values from the associated oil shales are suppressed by 0.11 to 0.28%R_o. The oil shales have H/C ratios >1.43, and Hydrogen Index (HI) values are generally >400 mg HC/g TOC and may reach 704 mg HC/ gTOC. In general, the coals have H/C ratios between about 0.80 and 0.90, and the HI values vary considerably from approximately 50 to 300 mg HC/gTOC. The HI_max of the coals, which represent the true source rock potential, range from ～160 to 310 mg HC/g TOC indicating a potential for oil/gas and oil generation. The steep VR curves from the oil‐producing basins reflect high geothermal gradients of ～62°C/km and ～92°C/km. The depth to the top oil window for the oil shales at a VR of ～0.70%R_o is determined to be between ～1100 m and 1800 m depending on the geothermal gradient. The kerogen composition of the oil shales and the high geothermal gradients result in narrow oil windows, possibly spanning only ～300 to 400 m in the warmest basins. The effective oil window of the coals is estimated to start from ～0.82 to 0.98%R_o and burial depths of ～1300 to 1400 m (～92°C/km) and ～2100 to 2300 m (～62°C/km) are necessary for efficient oil expulsion to occur.