Effect of microwave heating time on the gel properties of chicken myofibrillar proteins and their formation mechanism

The present work was conducted to illustrate the mechanism of gel formation of myofibrillar proteins (MPs) under different microwave heating times. The results showed that the denaturation enthalpy (ΔH) of the MPs significantly decreased when the heating time increased from 3 to 9 s and then completely disappeared as the heating time progressed, indicating that the MPs gradually denatured and subsequently aggregated with increasing heating time, which was further verified by the changes in the secondary structure, electrophoretic bands, and gel properties (e.g., water holding capacity and textural profiles) of the MPs. Microstructural images indicated that the MP gel formed under 12 s had the most compact network, indicating that extended microwave heating time could induce quality deterioration of MP gels. Moreover, the hydrophobic forces, electrostatic forces, and disulphide bonds of the MPs gradually intensified with increasing microwave heating time, suggesting that both non-covalent and covalent bonds could promote molecular denaturation and subsequent aggregation of MPs. In addition, correlation analysis revealed that the changes in the molecular conformation of MPs induced by different microwave heating times could effectively regulate the formation of MP gels and their related properties.     

Use of helical parameters to generate candidate conformations for crystal packing: illustrative application to a polyimide

This communication describes the application and extension of a method for calculating the helical parameters with which to describe molecular conformations. The method, which was originally developed by Shimanouchi and others, is applied to a polyimide of 3,3′,4,4′-benzophenonetetracarboxylic dianhydride (BTDA) and 2,2-dimethyl-1,3-(4-aminophenoxy)propane (DMDA) which has eight torsional bonds in the chemical repeat unit. Discrete low energy states for these torsions were determined by Ramanchandran energy maps of sequential dihedral pairs or single bond torsional energy diagrams. The total number of possible low energy conformations for these states is 1152 including conformationally related isoenantiomorphs. The method conveniently generates the conformations for subsequent crystal structure packing and refinement. Consideration of these together with the X-ray data of Cheng and co-workers reduces the number to about 15 with about a 2/1 conformation and a c axis of approximately 49.2 Å. Of these, about half appear to be good candidates for crystal packing.     

Polyethylene mixed crystal infra-red spectroscopy: The influence of matrix isotopic species on guest conformation

The chain conformation of solution-crystallized polyethylene has previously been confirmed by infra-red spectroscopy, using the CD₂ bending bandshape for samples with a minority of the deuterated species^1–3. The method of calculating the i.r. band profile from molecular conformational models is now developed to give a more accurate representation of doublet splittings and to include the singlet component. The CH₂ bending profile is calculated for samples with a deuterated matrix, and the good agreement with experimental data indicates that the same molecular model is applicable for samples with the deuterated polymer as either guest or matrix, for identical crystallization conditions. This result implies that isotopic fractionation is unimportant under these conditions.     

An SS1-SS2 {beta}-barrel structure for the voltage-activated potassium channel

To examine the feasibility of a ß structure for thepore-lining region of the voltage-gated potassium channel, wehave characterized a family of 12 antiparallel ß-barrels.Each is comprised of four identical pairs of ß-strandsorganized with approximate 4-fold symmetry about a channel axis.The Cand N-termini of the ß-strand pairs are assumedto be at the extracellular end of the channel, and each pairis connected by a hairpin turn at the intracellular end of thechannel. The models differ in the residues located in the hairpinturn and in the orientation of the two strands of each pairin the barrel, i.e. whether the C-terminus of a pair is clockwise(CW) or counterclockwise (CCW) from the N-terminus when thechannel is viewed from outside the cell. Following known structureprecedents and potential energy predictions, the barrel is assumedto be right-twisting in all cases. All models have crowded layersof inward-projecting aromatic sidechains near the center ofthe channel which could regulate channel selectivity. The modelswith an odd number of amino acids in the hairpin turn have theadvantage of predicting that F433 points into the barrel, butthe disadvantage that V438 does not. Of these models, two ofthe models are most consistent with the external tetraethylanunonhim(TEA) block data, and of those, one (T439 CCW 3:5) is most consistentwith the internal TEA block data.     

Preparation of High Strength and Toughness Aramid Fiber by Introducing Flexible Asymmetric Monomer to Construct Misplaced-Nunchaku Structure

High performance fibers with high strength and toughness have great potential in composites, but contradiction between tensile strength and elongation at break makes the preparation to become a current challenge. Herein, an asymmetric structure of more flexible diamine, 3,4′-diaminodiphenyl ether (3,4′-ODA), is introduced into heterocyclic aramid (PBIA) fibers to replace rigid symmetric p-phenylenediamine (PDA). By studying the properties of copolymer (mPEBA) fibers with different ratios of diamine, it is found that the mPEBA fiber reached the optimal mechanical properties with the 30% content of 3,4′-ODA. Compared with homopolymerized heterocyclic aramid fibers, the tensile strength and elongation at break of mPEBA fiber are improved by 26.2% and 38.7%, respectively. Results of X-ray diffraction show that the introduction of 3,4′-ODA structure can increase stretchability of mPEBA fibers, improving the orientation degree during hot-drawing. Molecular dynamics simulations confirm that 3,4′-ODA structure undergoes a conformation transformation to form a straightened chain during hot-drawing, while symmetrical 4,4′-diaminodiphenyl ether (4,4′-ODA) cannot form the same conformation. The misplaced-nunchaku structure is formed based on the special meta-para position of 3,4′-ODA, achieving the synergy of high strength and high toughness.     

Dependence of chain conformation on degree of sulfonation and counterion dissociation of sodium poly(styrene sulfonate) in semidilute aqueous solution

The chain conformation of sodium poly(styrenesulfonate) (NaPSS) in the semidilute aqueous solution, estimated from the plots of reduced viscosity versus segmental concentration, was found to be dependent on the degree of sulfonation and dissociation extent of counterions. The latter, altered by the content of sodium chloride external salt, was estimated from the ionic conductivity measurements on the basis of the modified Manning's conductivity theories with consideration of the influence of chain overlapping in the semidilute regime. The results indicate that the increase of chain extension of NaPSS with counterion dissociation was further enhanced by increasing the degree of sulfonation.     

Influence of initial chain conformation on the formation of mesoglobule phase in a dilute heteropolymer solution

We have observed, for the first time, that when the initial chain conformation changed from coil to globule, the association of linear poly(N-vinylcaprolactam-co-sodium acrylate) chains could gradually change from a reaction limited to diffusion limited process, reflected in a change of the fractal dimension of the resultant aggregates from ∼2.5 to ∼1.6. Such an influence of the initial chain conformation has been overlooked in past studies of the formation of the mesoglobule phase in a dilute heteropolymer solution.     

黄腐酸结构、构象和聚集过程的分子模拟研究

自然界中广泛存在着的腐植物质(HS)有多种化学反应能力,诸如矿物质的风化、养分的生物有效利用和污染物的迁移等相关的生物地球化学反应能力。腐植物质的反应性取决于其官能团的化学特性与微观结构,同时又受到周围环境及介质组分的影响。为了更好地了解腐植物质在水、土壤中的结构、构象以及聚集过程,文中描述了以伯明翰东北部庙宇(TNB)的样本,按离子或非离子的黄腐酸分子结构建模研究的过程。该理论研究结果和黄腐酸的溶解度(偶极矩)、电子和振动光谱等一些实验研究的结果能很好的吻合。其中水分子的存在对静电有很大的稳定作用,并且随着离子化程度的增加,这种作用变得更强。在真空中,由于氢键和非键力相互作用增加,未离子化的聚集体比单体更稳定。因此,随着黄腐酸分子的离子化,聚集作用将不再发生。在溶液中,黄腐酸的浓度是聚集的关键因素。若当量浓度太低,含有两个黄腐酸的系统就不可能发生聚集,但是随着当量浓度的提高,系统中聚集体的数量也将上升,情况就发生改变。离子态是聚集的另一个关键因素。离子态的黄腐酸分子有着更高的负电荷,而这会增强能量势垒,阻碍由布朗运动引起的黄腐酸分子的相互接近。     

基于扫描探针显微镜的几种洋酒AFM扫描图

在扫描探针显微镜的AFM扫描图中,国产白酒所含呈香呈味微量物质形成了聚集的颗粒状微观形态。为了观察洋酒微观形态,文章采用扫描探针显微镜对伏特加,白兰地,威士忌和配制酒做了扫描,得到这四种酒的AFM扫描图。从图中观察到了这四种酒的微观形态。     

Fluorescence of poly(di-n-alkylsilane)s in room-temperature solution

A comprehensive study of the electronic absorption and emission spectra and the fluorescence quantum yield and lifetime of seven poly(di-n-alkylsilane)s and of three isotopically labelled poly(di-n-hexylsilane)s in hydrocarbon solution at room temperature is reported. Also reported are fluorescence polarization and carbon tetrachloride quenching of fluorescence of poly(di-n-hexylsilane). The observed fluorescence spectra, quantum yield, and polarization depend on the selected excitation energy in a very characteristic fashion, whereas the fluorescence lifetime does not; however, it depends on the selected emission energy. These characteristic dependencies are qualitatively accounted for by the previously proposed segment distribution model if one assumes that the photophysical behavior at higher excitation energies is strongly affected by the presence of a low-lying weakly allowed state in short-segment chromophores and the behavior at lower excitation energies is dictated by the selective excitation of emitting long-segment chromophores.