New environmental-friendly yellow pigments Y_(4-x)A_xMoO_(9+δ)(A =Ta,Tb)

A series of inorganic yellow pigments with general formula Y_(4-x)A_xMoO_(9+δ)(A = Ta, Tb), where x = 0,0.05,0.1,0.2, 0.4 for Ta and χ = 0, 0.005, 0.01.0.03, 0.05 for Tb,were synthesized by a conventional ceramic method at 1400 ℃ for 6 h in air. The samples were characterized by XRD,EDS,XPS,SEM,TG-DSC,UV-vis-NIR reflectance spectroscopy and CIE L*a*b* color scales. It is found that the substitution of A(A = Ta, Tb) for Y~(3+) in Y_4 MoO_9 decreases the NIR reflectance of the pigment samples, but the developed pigments Y_(4-x)A_xMoO_(9+δ)(A = Ta, Tb) still exhibit impressive NIR solar reflectance. The brighter yellow color of inorganic pigments Y_(4-x)A_xMoO_(9+δ)(A = Ta, Tb) is available when x is about 0.1 for Ta and 0.01 for Tb. The results make them a series of potential candidates as ecological yellow pigments because of their high reflectance, lightness, intense coloration and excellent thermal and chemical stability.     

不同种源地香叶树籽的油脂含量及脂肪酸组成分析

为探明不同种源地香叶树作为油料树种的开发价值，采集了全国6省20县市的香叶树果实，对香叶树全果、果肉及籽的油脂含量及脂肪酸组成进行了分析，并采用ward法对不同种源地香叶树籽油脂肪酸进行了聚类分析。结果表明：香叶树全果、果肉以及籽的平均油脂含量分别为43.31%、42.38%及46.12%；全果油脂肪酸组成以月桂酸、油酸和癸酸为主；果肉油以油酸和棕榈酸为主；而籽油则以月桂酸和癸酸为主，月桂酸含量为53.20%~70.30%，月桂酸和癸酸总含量达76.40%~90.10%；聚类分析将不同种源地香叶树分为3大类，云南省、贵州省及广西省的香叶树属低月桂酸类型，福建省、江西省及湖南省的香叶树属中高月桂酸型。香叶树可作为生产中碳链脂肪酸的新晋树种，福建省的香叶树籽油脂含量高，且籽油中月桂酸含量高，作为中碳链脂肪酸的原料地具有明显的开发优势。     

Preliminary Structural Data Revealed That the SARS-CoV-2 B.1.617 Variant's RBD Binds to ACE2 Receptor Stronger Than the Wild Type to Enhance the Infectivity

The evolution of new SARS-CoV-2 variants around the globe has made the COVID-19 pandemic more worrisome, further pressuring the health care system and immunity. Novel variations that are unique to the receptor-binding motif (RBM) of the receptor-binding domain (RBD) spike glycoprotein, i. e. L452R-E484Q, may play a different role in the B.1.617 (also known as G/452R.V3) variant's pathogenicity and better survival compared to the wild type. Therefore, a thorough analysis is needed to understand the impact of these mutations on binding with host receptor (RBD) and to guide new therapeutics development. In this study, we used structural and biomolecular simulation techniques to explore the impact of specific mutations (L452R-E484Q) in the B.1.617 variant on the binding of RBD to the host receptor ACE2. Our analysis revealed that the B.1.617 variant possesses different dynamic behaviours by altering dynamic-stability, residual flexibility and structural compactness. Moreover, the new variant had altered the bonding network and structural-dynamics properties significantly. MM/GBSA technique was used, which further established the binding differences between the wild type and B.1.617 variant. In conclusion, this study provides a strong impetus to develop novel drugs against the new SARS-CoV-2 variants.     

Synthesis,Anticancer Activity,Structure-Activity Relationship and Mechanistic Investigations of Falcarindiol Analogues

Forty samples of optically active falcarindiol analogues are synthesized by using the easily available C2 symmetric (R)- and (S)-1,1’-binaphth-2-ol (BINOL) in combination with Ti(OⁱPr)₄, Zn powder and EtI. Their anticancer activities on Hccc-9810, HepG2, MDA-MB-231, Hela, MG-63 and H460 cells are assayed to elucidate their structure-activity relationships. These results showed that the falcarindiol analogue (3R,8S)- 2 i with the terminal double bond has the most potent anti-proliferation effect on Hccc-9810 cells with IC₅₀ value of 0.46 μM. The falcarindiol analogue (3R,8S)- 2 i can induce obvious Hccc-9810 cell apoptosis in a concentration-dependent manner by Hoechst staining and flow cytometry analysis. The proposed mechanism suggests that the falcarindiol analogue (3R,8S)- 2 i increases LDH release and MDA content, and reduces the levels of SOD activity, which lead to the accumulation of oxidative stress and induce apoptosis in Hccc-9810 cells.     

The periodic system and the idea of a chemical element: From Mendeleev to superheavy elements

Like other scientific concepts, the idea of a chemical element has changed considerably over time, since it was first established in the Enlightenment era. In Dmitri Mendeleev's construction of the periodic system, he distinguished between simple substances and elements as defined by their atomic weights. The foundation of the periodic system on the latter concept led to several challenges. For example, the system seemed unable to accommodate the radioactive substances eventually recognised as isotopes. Around 1920, elements were consequently redefined in terms of their atomic numbers, a nuclear property that could be determined by X‐ray spectroscopy. Although this understanding of an element has stood the test of time, new questions turned up relating to the concept of an element following the syntheses of transuranic elements since the early 1940s. These syntheses of very heavy elements have additionally led chemists and physicists to reconsider the criteria for the discovery of a new element. Recently, elements have been officially recognised on the sole ground that a small number of very heavy atomic nuclei were identified. The paper discusses how the notion of an element was modified during different periods of time, the reasons for the modifications, and the values ascribed to them in the communities of chemists and physicists.     

Rhombellation: a builder for multi-shell clusters

Rhombellanes are mathematical structures, proposed by us in 2017; they may appear both in periodic crystals or in finite structures. The simplest rhombellane is rbl.5 or K_2.3, the complete bipartite graph. In this paper, rhombellation operation is iteratively applied on three classes of structures: cube, tori and cubic pcu-network, respectively. The structural topological parameters are detailed.     

Stimulation of densification during the reduction of U3O8 to UO2 by atmosphere control

A reduction process in the head-end for pyroprocessing has been adopted to avoid oxidation attack on the molybdenum crucible during sintering. The reduction process is employed to reduce U₃O₈ pellets to UO₂ prior to sintering. This allows elimination of the oxygen source, which causes oxidation attack during sintering, thereby permitting the use of a metallic crucible. However, little densification occurs due to the low reduction temperature limited by the INCONEL crucible. Consequently, the amount of material scraps from the pellets increases, thus creating an additional processing burden due to its high radioactivity. To reduce the amount of scraps, densification should be enhanced. This study suggests a simple atmospheric control strategy and clarifies its effects. With the atmospheric control, a higher bulk density and better attrition resistance were obtained in comparison to without this strategy. This can be explained in terms of O/U ratio dependent diffusion kinetics during the reduction of U₃O₈ to UO₂.     

Controlled Secure Direct Communication Protocol via the Three-Qubit Partially Entangled Set of States

In this paper, we first re-examine the previous protocol of controlled quantum secure direct communication of Zhang et al.’s scheme, which was found insecure under two kinds of attacks, fake entangled particles attack and disentanglement attack. Then, by changing the party of the preparation of cluster states and using unitary operations, we present an improved protocol which can avoid these two kinds of attacks. Moreover, the protocol is proposed using the three-qubit partially entangled set of states. It is more efficient by only using three particles rather than four or even more to transmit one bit secret information. Given our using state is much easier to prepare for multiqubit states and our protocol needs less measurement resource, it makes this protocol more convenient from an applied point of view.     

Stream-Based Data Sampling Mechanism for Process Object

Process object is the instance of process. Vertexes and edges are in the graph of process object. There are different types of the object itself and the associations between object. For the large-scale data, there are many changes reflected. Recently, how to find appropriate real-time data for process object becomes a hot research topic. Data sampling is a kind of finding c hanges o f p rocess o bjects. There i s r equirements f or s ampling to be adaptive to underlying distribution of data stream. In this paper, we have proposed a adaptive data sampling mechanism to find a ppropriate d ata t o m odeling. F irst o f all, we use concept drift to make the partition of the life cycle of process object. Then, entity community detection is proposed to find changes. Finally, we propose stream-based real-time optimization of data sampling. Contributions of this paper are concept drift, community detection, and stream-based real-time computing. Experiments show the effectiveness and feasibility of our proposed adaptive data sampling mechanism for process object.     

Nano-to-macroporous TiO2 (anatase) by cold sintering process

Cold Sintering Process (CSP) was applied on commercial nanopowders to produce nanostructured TiO₂ anatase with nano-to-macro porosity. Nanoporous TiO₂ based materials were obtained by applying CSP at 150 °C and pressures up to 500 MPa on three TiO₂ nanopowders with different specific surface area (s.s.a. = 50, 90 and 370 m²/g), using water as transient aqueous environment. Although TiO₂ is insoluble in water, a density of 68% and s.s.a. = 117 m²/g were achieved from the powder with the highest specific surface area. A post annealing process at 500 °C increased the density up to 73% with a s.s.a. = 59 m²/g, and the crystallites dimensions passed from 110 Å in the powder to 130 Å in CSP material and 172 Å after post annealing. Finally, macroporosity was produced by using thermoplastic polymer beads as sacrificial templates within TiO₂ nanopowder during CSP, followed by a debonding at 500 °C.