Chemical Bonding by the Chemical Orthogonal Space of Reactivity

The fashionable Parr–Pearson (PP) atoms-in-molecule/bonding (AIM/AIB) approach for determining the exchanged charge necessary for acquiring an equalized electronegativity within a chemical bond is refined and generalized here by introducing the concepts of chemical power within the chemical orthogonal space (COS) in terms of electronegativity and chemical hardness. Electronegativity and chemical hardness are conceptually orthogonal, since there are opposite tendencies in bonding, i.e., reactivity vs. stability or the HOMO-LUMO middy level vs. the HOMO-LUMO interval (gap). Thus, atoms-in-molecule/bond electronegativity and chemical hardness are provided for in orthogonal space (COS), along with a generalized analytical expression of the exchanged electrons in bonding. Moreover, the present formalism surpasses the earlier Parr–Pearson limitation to the context of hetero-bonding molecules so as to also include the important case of covalent homo-bonding. The connections of the present COS analysis with PP formalism is analytically revealed, while a numerical illustration regarding the patterning and fragmentation of chemical benchmarking bondings is also presented and fundamental open questions are critically discussed.     

High-entropy ferroelastic rare-earth tantalite ceramic: (Y0.2Ce0.2Sm0.2Gd0.2Dy0.2)TaO4

In this study, high-entropy rare-earth tantalate ceramics (Y_0.2Ce_0.2Sm_0.2Gd_0.2Dy_0.2)TaO₄ ((5RE_0.2)TaO₄) have been successfully fabricated. The possibility of formation of (5RE_0.2)TaO₄ was verified via first-principles calculations. In addition, the phase structure, ferroelastic toughening mechanism, thermophysical, and mechanical properties were systematically investigated. The (5RE_0.2)TaO₄ ceramics have lower phonon thermal conductivity (1.2–2.6 W·m^–1·K^–1) in the entire temperature range than that of RETaO₄ and YSZ. (5RE_0.2)TaO₄ has a higher fracture toughness and lower brittleness index than YSZ. The thermal expansion coefficients of (5RE_0.2)TaO₄ are as high as 10.3 × 10^-6 K^–1 at 1200°C and Young's modulus is 66–189 GPa, and thus, (5RE_0.2)TaO₄ possesses great potential for application in thermal barrier coatings (TBCs).     

Effects of alkali metal ion on imprinting GRIN microstructure in GeS2-Ga2S3-MCl (M=Na,K, Cs) glasses for visible to mid-infrared microgratings

Gradient refractive index (GRIN) micro-optics present unique opportunities for control of the chromatic properties, new degrees of freedom for optical design as well as the potential for use in new optical system applications. GRIN microgratings were imprinted in GeS₂-Ga₂S₃-MCl (M = Na, K, Cs) chalcohalide glasses by microthermal poling, and the effects of the type and concentration of alkali cations on their performance were investigated. Two effective imprinting formation regions of the GRIN microstructure based on the poling saturation voltage (U_s) and glass composition are observed at fixed poling time and temperature. The U_s increases from 140 to 750 and 2600 V in accordance with the activation energy (E_a) of alkali ions (Na⁺ to K⁺ and Cs⁺) increasing from 45.15 to 58.62 and 92.58 kJ/mol for studied samples. The saturated numbers of diffraction order (N_s) of the gratings in these samples are 7, 9 and 6, respectively, the highest number being provided by the K⁺-containing sample. This is in accordance with imprinting-induced phase differences (0.14λ, 0.19λ and 0.09λ) measured in the fabricated samples containing Na⁺, K⁺ and Cs⁺ ions. Furthermore, the U_s of samples decreases from 1500 to 300 V with four concentrations of K⁺ from 10 to 30%, associated with their E_a of K⁺ decreasing from 69.62 to 53.46 kJ/mol, while N_s increases from 8 to 14, which is attributed to the increase of the phase difference in the GRIN structures. The controllable GRIN microstructures are realized by adjusting the type and concentration of alkali cations in chalcohalide glasses, which is expected to drive the design of broadband GRIN microgratings.     

Influence of tetraploid wheat (Triticum dicoccum) on low glycaemic index pizza base processing and its starch digestibility

The present study aimed to utilise Dicoccum wheat (DW), barley (BF) and soya flour (SF) in the development of low in vitro starch digestibility (IVSD) and estimated glycaemic index (EGI) PB. The BF and SF are mixed (1:1) (BFSF) and used to replace DW at 25%, 50% and 75% level and compared with 100% DW. The quality characteristics (rheological, physical, textural and chemical), IVSD and EGI of PB were determined. The incorporation of BFSF to DW increased the farinograph water absorption capacity (58.1%–64.2%) and mixing tolerance index (21-68 FU), and decreased the dough development time (4.3–2.8 min) and amylograph pasting properties, respectively. Further, the thickness, shear force and redness were decreased and lightness and yellowness increased. Based on the physico-sensory studies, 50% of BFSF along with emulsifier’s incorporation was optimum without affecting any sensory parameters and this PB had decreased IVSD (31) and EGI (54) when compared to the control 37 and 63, respectively.     

2011～2020年华北平原气溶胶光学厚度时空分布特征及潜在源分析

随着经济高速增长和城市化进程不断加快,华北平原区域性空气污染问题愈演愈烈。针对该区域开展长时序气溶胶光学厚度时空分布特征和潜在源分析研究,对华北平原大气污染治理具有重要意义。基于长时序MODIS/Terra C6.1 MOD04_L2气溶胶光学厚度产品,分析华北平原气溶胶光学厚度的时空分布特征,并利用后向轨迹聚类分析讨论华北平原7个重点城市气团输送的季节变化,并以污染较为严重的河北石家庄为例进行潜在源分析和浓度权重分析,探究影响其大气质量的污染物潜在源区。结果表明:2011～2020年华北平原气溶胶光学厚度月均值呈显著的周期性变化,以年为周期,每个周期内峰值一般出现在6月至8月; 气溶胶光学厚度月际年内呈单峰分布,峰值出现在6月(0.75),最小值出现在12月(0.37); 气溶胶光学厚度季均值从大到小依次为夏季(0.67)、春季(0.59)、冬季(0.49)、秋季(0.46); 10年间气溶胶光学厚度呈下降趋势,整体下降幅度达36.84%,其中2011年最高(0.72),2018年最低(0.45); 华北平原7个重点城市春、夏、秋、冬四季主要受短距离气团输送影响较大,长距离气团输送影响较小; 2014～2020年河北石家庄的空气质量优良天数占比相对较小,空气质量状况差,影响其空气质量的污染物多为本地生成,同时也受周边省市近距离输送的影响。     

Novel cheese with vegetal rennet and microbial transglutaminase: Effect of storage on consumer acceptability,sensory and instrumental properties

The aim of this study was to evaluate the consumer acceptance and preference of a novel cheese coagulated with vegetal rennet and microbial transglutaminase (V + TG) as an alternative for lacto‐vegetarian consumers. The evolution of the sensory and instrumental parameters throughout the storage time was studied. Cheese with animal rennnet and microbial transglutaminase (A + TG), vegetal rennet alone (V) and animal rennet alone (A) were also studied as controls. The consumer test showed that the V + TG cheese was preferred and showed high texture and taste acceptance scores. This cheese could be successful for its sensory acceptance and as an alternative for the lacto‐vegetarian market.     

铜矿床一般工业指标研究

针对2002年铜地质勘查规范中一般工业指标存在的问题,基于大量实际生产数据,对铜矿床实际采用的边界品位指标、最低工业品位、矿床平均品位、最小可采厚度、夹石剔除厚度、开采技术条件等进行研究,论证了铜矿床的一般工业指标,并首次明确了铜矿床工业指标的适用条件,解决了铜矿床一般工业指标体系应用不一致和指标区间取值主观性的问题。     

Effect of partial substitution of wheat flour with resistant starch on physicochemical,sensorial and nutritional properties of breadsticks

This study determined the physicochemical, sensorial and nutritional properties of breadsticks to which a resistant starch (RS)-rich ingredient was incorporated by partial substitution, that is, 40%–70%, of hard wheat flour in the control recipe. Wheat flour substitution at the levels exceeding 50% lightened the colour while decreasing the moisture content and hardness of breadsticks, which was explainable by the microstructure. Changes in properties of breadsticks also affected the suitability of its sensory attributes, particularly colour and texture. Breadsticks, of which half of wheat flour was substituted, contained less protein and calories but higher carbohydrate than the control formula. Such flour substitution increased RS content closed to its effective dose of 15 g in a 45-g serving, which led to approximately 15% reduction in in vitro glycaemic index. Therefore, incorporating effective dose of RS in breadsticks could be performed, without causing substantial changes in product quality, by partial substitution of wheat flour.     

Evaluating the profile of myofibrillar proteins and its relationship with tenderness among five styles of dry-cured hams

In order to investigate the relationship between profile of myofibrillar proteins and tenderness among 2 kinds of Chinese hams (Jinhua and Xuanwei) and 3 kinds of European hams (Iberian, Serrano and Parma), shear force, myofibril fragmentation index (MFI), SDS-PAGE, carbonyls content and Raman spectroscopy were investigated. The shear force and salt content of Chinese hams were significantly higher than that of European hams, while moisture content was lower than that of European hams (p < 0.05). MFI values and SDS-PAGE profile revealed that the degradation of myofibrillar proteins in Chinese hams was lower than in European hams. In addition, Chinese hams showed significantly higher carbonyls content and β-sheet content compared with European hams, indicated that proteins aggregation intensively inhibited the degradation of myofibrillar proteins in Chinese hams. These results indicated that the higher shear force in Chinese style hams could be attributed to the lower moisture content and limited proteolysis.