Molecularly imprinted macroporous polymer monolithic layers for L-phenylalanine recognition in complex biological fluids

In present work, the development of macroporous monolithic layers bearing the artificial recognition sites toward L-phenylalanine has been carried out. The set of macroporous poly(2-aminoethyl methacrylate-co-2-hydroxyethyl methacrylate-co-ethylene glycol dimethacrylate) materials with average pore size ranged in 340–1200 nm was synthesized. The applicability of Hildebrand's and Hansen's theories for the prediction of polymer compatibility with porogenic solvents was evaluated. The dependences of average pore size on theoretically calculated parameters were plotted. The linear trend detected for Hansen's theory has indicated the high suitability of this approach to select appropriate porogens. The synthesized monolithic MIP layers were tested toward the ability to rebind phenylalanine-derivative in microarray format. The influence of such factors as average pore size of the material, the concentration of template molecule in polymerization mixture, interaction time of analyte with its imprinted sites on binding efficiency were studied. The developed materials demonstrated good analyte rebinding from buffer solution with recognition factors 2.5–3.4 depending on the MIP sample. The comparable rebinding efficiency was also detected when the analysis was carried using complex biological media. The selectivity of phenylalanine binding from the equimolar mixture of structural analogues was 81.9% for free amino acid and 91.2% for labeled one.     

Association of TaD14-4D,a Gene Involved in Strigolactone Signaling,with Yield Contributing Traits in Wheat

Tillering is a crucial agronomic trait of wheat; it determines yield and plant architecture. Strigolactones (SLs) have been reported to inhibit plant branching. D14, a receptor of SLs, has been described to affect tillering in rice, yet it has seldomly been studied in wheat. In this study, three TaD14 homoeologous genes, TaD14-4A, TaD14-4B, and TaD14-4D, were identified. TaD14-4A, TaD14-4B, and TaD14-4D were constitutively expressed, and TaD14-4D had a higher expression level in most tissues. TaD14 proteins were localized in both cytoplasm and nucleus. An SNP and a 22 bp insertion/deletion (Indel) at the exon regions of TaD14-4D were detected, forming three haplotypes, namely 4D-HapI, 4D-HapII, and 4D-HapIII. Due to the frameshift mutation in the coding region of 4D-HapII, the interaction of 4D-HapII with TaMAX2 and TaD53 was blocked, which led to the blocking of SL signal transduction. Based on the two variation sites, two molecular markers, namely dCAPS-250 and Indel-747, were developed. Association analysis suggested that haplotypes of TaD14-4D were associated with effective tillering number (ETN) and thousand kernel weight (TKW) simultaneously in four environments. The favorable haplotype 4D-HapIII underwent positive selection in global wheat breeding. This study provides insights into understanding the function of natural variations of TaD14-4D and develops two useful molecular markers for wheat breeding.     

A novel fabrication procedure for producing high strength hydroxyapatite ceramic scaffolds with high porosity

Hydroxyapatite (HA) scaffolds were fabricated using the space holder method with a pressureless sintering process in a systematically developed manner at different fabrication stages to increase the strength of the scaffold at high porosity. Polyvinyl alcohol (PVA) and Polymethyl methacrylate (PMMA) were used as binders and space holder agents, respectively. The physical properties of the HA scaffolds were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), linear shrinkage test, and porosity measurements. The mechanical properties of the HA scaffolds were analyzed using compressive strength measurements. The results revealed that the HA scaffold met the expected quality requirements with a compressive strength of 2.2 MPa at a porosity of 65.6% with pore sizes distributed in the range of 126–385 μm. The shrinkage of the scaffold diameter occurred by 20.27%, this diameter shrinkage predominantly to the shrinkage of the HA scaffold caused by sintering. Besides, suspect that a higher PMMA concentration causes pore size shrinkage upon sintering. The formation of pore interconnections was evidenced by SEM observations and the ‘translucent light method’ developed in this study. The results of the scaffold phase test using XRD showed that the final scaffold consisted only of the HA phase, as the PVA and PMMA phases burned out during the sintering process.     

Exploring the Cold-Adaptation Mechanism of Serine Hydroxymethyltransferase by Comparative Molecular Dynamics Simulations

Cold-adapted enzymes feature a lower thermostability and higher catalytic activity compared to their warm-active homologues, which are considered as a consequence of increased flexibility of their molecular structures. The complexity of the (thermo)stability-flexibility-activity relationship makes it difficult to define the strategies and formulate a general theory for enzyme cold adaptation. Here, the psychrophilic serine hydroxymethyltransferase (pSHMT) from Psychromonas ingrahamii and its mesophilic counterpart, mSHMT from Escherichia coli, were subjected to μs-scale multiple-replica molecular dynamics (MD) simulations to explore the cold-adaptation mechanism of the dimeric SHMT. The comparative analyses of MD trajectories reveal that pSHMT exhibits larger structural fluctuations and inter-monomer positional movements, a higher global flexibility, and considerably enhanced local flexibility involving the surface loops and active sites. The largest-amplitude motion mode of pSHMT describes the trends of inter-monomer dissociation and enlargement of the active-site cavity, whereas that of mSHMT characterizes the opposite trends. Based on the comparison of the calculated structural parameters and constructed free energy landscapes (FELs) between the two enzymes, we discuss in-depth the physicochemical principles underlying the stability-flexibility-activity relationships and conclude that (i) pSHMT adopts the global-flexibility mechanism to adapt to the cold environment and, (ii) optimizing the protein-solvent interactions and loosening the inter-monomer association are the main strategies for pSHMT to enhance its flexibility.     

Design,simulation, elaboration and luminescence of Tb3+-doped Ba0.84Gd0.16F2.16 fluoroaluminosilicate scintillating glass ceramics

Extensive researches on scintillators have been executed to satisfy the excellent radiation detection materials in broad applications. However, practical application of conventional scintillators is limited due to the limitations of high cost, time-consuming fabrication process and insufficient radioluminescence. Herein, high density precursor glass doped with Tb³⁺ was designed to absorb X-ray efficiently and produce green emission. Molecular dynamics simulation was used to simulate the phase separation process in melting process. Then, Tb³⁺-doped Ba_0.84Gd_0.16F_2.16 glass ceramics (GCs) with excellent structural and optical properties were elaborated by melt quenching technic and further heat treating. Their structural properties, photoluminescence (PL) and X-ray excited luminescence (XEL) were explored detailedly. The internal quantum efficiency of PL is 64 % in GCs. The XEL intensity is 192 % of that of Bi₄Ge₃O₁₂ (BGO) commercial scintillator. Our results suggest that Ba_0.84Gd_0.16F_2.16:Tb³⁺ GCs might have potential application in X-ray detection.     

基于秩序与非秩序理论的文创产品卡通形象设计研究

目的 从秩序与非秩序理论出发,研究文创产品卡通形象的设计方法.方法 对秩序与非秩序理论的视觉机制和创制理论进行梳理,结合实例,阐述了其与文创产品卡通形象设计之间的联系,分析文创产品卡通形象中的秩序与非秩序的表现形式,提出基于秩序与非秩序理论文创产品卡通形象设计的主要原则,归纳出一套基于秩序与非秩序理论的文创产品卡通形象设计流程与方法,指导设计实践,并验证这些理论方法在设计实践中有效性与可行性.结论 通过对秩序与非秩序理论的研究,文创产品卡通形象设计时应注意提高辨识度、亲和力和便于衍生设计的原则.探索基于秩序与非秩序理论的设计流程与方法,按照界定主题、主体形象设计、主体形象拓展、衍生品应用四个环节开展整体方案设计,为文创产品卡通形象设计提供新的思路与方法.     

Structural insights into peptide self-assembly using photo-induced crosslinking experiments and discontinuous molecular dynamics

Determining the structure of the (oligomeric) intermediates that form during the self-assembly of amyloidogenic peptides is challenging because of their heterogeneous and dynamic nature. Thus, there is need for methodology to analyze the underlying molecular structure of these transient species. In this work, a combination of fluorescence quenching, photo-induced crosslinking (PIC) and molecular dynamics simulation was used to study the assembly of a synthetic amyloid-forming peptide, Aβ_16-22. A PIC amino acid containing a trifluormethyldiazirine (TFMD) group—Fmoc(TFMD)Phe—was incorporated into the sequence (Aβ*_16–22). Electrospray ionization ion-mobility spectrometry mass-spectrometry (ESI-IMS-MS) analysis of the PIC products confirmed that Aβ*_16–22 forms assemblies with the monomers arranged as anti-parallel, in-register β-strands at all time points during the aggregation assay. The assembly process was also monitored separately using fluorescence quenching to profile the fibril assembly reaction. The molecular picture resulting from discontinuous molecule dynamics simulations showed that Aβ_16-22 assembles through a single-step nucleation into a β-sheet fibril in agreement with these experimental observations. This study provides detailed structural insights into the Aβ_16-22 self-assembly processes, paving the way to explore the self-assembly mechanism of larger, more complex peptides, including those whose aggregation is responsible for human disease.     

基于魅力工学的传统器物设计评价应用研究

目的 在传统器物的创新设计中,最重要的环节是了解消费者对所使用产品的不同感受与意向并转换为具体的设计要素.研究消费者心理的感性因素与传统器物设计元素之间的联系,确定设计要素,从而对产品进行创新设计,为提升传统器物附加值作出贡献.方法 以中国传统器物茶宠为例,首先对8位相关的茶宠专家进行访谈,通过魅力工学中的评价构造法整理并提取魅力因子,设计出问卷调查表;然后以访谈内容为依据,使用问卷调查法得到大众对茶宠的魅力评价,共回收84份有效问卷;最后应用数量化一类分析茶宠魅力因子影响权重.结果 得到了数量化一类统计表,选取了其中影响因素较大的魅力因子作为茶宠设计前的风格定调考量.结论 通过茶宠的研究案例证明了该理论的可行性,为未来传统器物的设计提供了更多元且新颖的设计依据.