Six rare-earth (RE) metal-doped n-type Zintl-phase thermoelectric (TE) compounds in the Ca 5−x−y Yb x RE y Al 2 Sb 6 (RE = Pr, Nd, and Sm; 1.26 ≤ x ≤ 3.03; 0.15 ≤ y ≤ 0.45) system have been prepared using arc melting followed by the post-heat treatment, and the isotypic and homotypic crystal structures were carefully determined by the powder and single-crystal analyses. Six title compounds adopted either the Ca 5 Al 2 Bi 6 -type or Ca 5 Ga 2 As 6 -type phase in the orthorhombic Pbam space group (Z = 2, Pearson code oP26) with seven crystallographically independent atomic sites. Interestingly, the Yb-rich compounds originally crystallized in the Ca 5 Al 2 Bi 6 -type phase and maintained their structure type even after the post-heat treatment. On the other hand, the Ca-rich compounds with particular compositions adopted the Ca 5 Al 2 Bi 6 -type phase first and then underwent phase transition to the Ca 5 Ga 2 As 6 -type phase after the post-heat treatment at the high temperature. Moreover, this single-crystal to single-crystal phase transition also brought the p-type to n-type conversion of electrical transport property for the two Ca 5 Ga 2 As 6 -type title compoundsCa 3.46 Yb 1.35 Pr 0.19 Al 2 Sb 6 and Ca 3.30 Yb 1.50 Sm 0.20 Al 2 Sb 6 according to Seebeck coefficient measurements. As far as we understand, this study is the first example of producing novel n-type Zintl TE compounds by the "bypass" method through the p-type to n-type conversion of identical Zintl compounds in the A 5 M 2 Pn 6 (A = Ca, Sr, Eu, and Yb; M = Al, Ga, In; Pn = As, Sb, and Bi) system. Theoretical calculations conducted for the three hypothetical models rationalized the specific site preference of RE and the overall electronic structures. Hall effect measurements proved the n-type carrier, and the carrier concentration and carrier mobility of this Ca 5 Ga 2 As 6 -type Ca 3.46 Yb 1.35 Pr 0.19 Al 2 Sb 6 were also evaluated.

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Nanocluster systems that are electronically stable and highly magnetic have been of intense research interest due to their potential as magnetic superatoms. In this study, we consider a more intriguing case of the unique golden pyramid with a substitutional 3d impurity. In particular, we investigate the geometry, stability, and magnetic properties of Au19M clusters (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) by means of density functional theory calculations. It is found that the structural patterns of doped species evolve from endohedrally doped cages to exohedrally doped tetrahedrons when M goes from Sc to Cu. The robustness of the Au20 unit tends to be retained in its tetrahedral doped counterparts. Remarkably, the quenched magnetic moment of Au20 increases in a systematic manner with the appearance of 3d impurities. We demonstrate that not only the interaction between the magnetic impurity and valence electrons of the Au host but also the itinerant behavior of the impurity valence states have been taken into account to understand the magnetism of Au19M clusters.

The addition of chalcone and amine components into indirubin-3′-oxime resulted in 15 new derivatives with high yields. Structures of new derivatives were also elucidated through 1D, 2D-NMR and HR-MS(eSi) spectra and X-ray crystallography. All designed compounds were screened for cytotoxic activity against four human cancer cell lines (HepG2, LU-1, SW480 and HL-60) and one human normal kidney cell line (HEK-293). Compound 6f exhibited the most marked cytotoxicity meanwhile cytotoxicity of compounds 6e, 6h and 6l was more profound toward cancer cell lines than toward normal cell. These new derivatives were further analyzed via molecular docking studies on GSK-3β enzyme. Docking analysis shows that most of the derivatives exhibited potential inhibition activity against GSK-3β with characteristic interacting residues in the binding site. The fast pulling of ligand scheme was then employed to refine the binding affinity and mechanism between ligands and GSK-3β enzyme. the computational results are expected to contribute to predicting enzyme target of the trial inhibitors and their possible interaction, from which the design of new cytotoxic agents could be created in the future. Cancer is ranked second globally as cause of death. The disease originated due to the inability of cells to control growth, often leading to the formation of cancerous tumors or liquid cancer. (i.e. leukemia and lymphoma cancer). Routines for cancer treatment consist of chemotherapy and radiotherapy where the former utilizes molecule-size drugs aiming at eradication and inhibition of cancer tumors. However, this treatment technique has been shown to suffer from several inherent shortcomings including the development of drug resistance, off-target toxicity and limited targeting capabilities 1,2. Glycogen synthase kinase-3 (GSK-3) is defined as a multifunctional serine/threonine protein kinase that regulates the phosphorylation of various cellular targets 3. The function of GSK-3 is essential for the development

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This study aimed to assess the ability of microorganism populations and two aquatic plant species (water hyacinth -Eichhornia crassipes Solms and water morning glory -Ipomoea aquatica) to treat domestic wastewater in Nhue Giang pond, Tay Mo village, Tu Liem District, Hanoi City in Vietnam. The results showed that microorganism populations in the pond water contained all of groups of microorganisms including bacteria, Actinomycetes, mold and yeast. In water inlet and outlet samples, bacteria has the largest number in population (2.1x10 6 and 8.7x10 5 CFU/mL at inlet and outlet), accounting for 99.91% of total microorganisms. Regarding the number of microorganisms attached on roots of aquatic plants, the highest number was recorded for bacteria, while the numbers of Actinomycetes, mold and yeast were quite small. The total number of microorganisms attached on water hyacinth roots is 2.5x10 6 CFU/g and 1.5x10 6 CFU/g (at inlet and outlet sample) higher than that on water morning glory roots in both sampling sites. The wastewater treatment efficiency for TSS, COD, NH 4 + and PO 4 3-parameters at the site without aquatic plants was in the range of 1% to 5% only, while treatment efficiency for those parameters at location with aquatic plants was much higher. Particularly, it was in range of 37.8% -53.3% for TSS; 44.4% -53.4% for COD; 56.7% -61.4% for PO 4 3-and 26.8% -32.6% for NH 4 + . All the lower values belonged to water morning glory sample and the higher values belonged to water hyacinth sample at the outlet.

Sweet basil (Ocimum basilicum L.) is commonly used as an attractive flavor in Vietnamese cuisine and a valuable remedy in traditional medicine. The purpose of this study is to analyze the phytochemical profile, as well as to calculate the content of polyphenols and flavonoids and antioxidant activity of ethanolic and aqueous extracts from sweet basil leaves. The findings revealed that the leaves of sweet basil contained a wide range of pharmacologically active substances, such as alkaloids, coumarins, tannins, flavonoids, sugars, phenols, terpenoids and saponins. The total phenolic and flavonoid contents of ethanolic extract achieved 29.60 ± 1.64 mg GAE/g and 19.58 ± 0.93 mg QE/g, respectively. Furthermore, ethanolic extract displayed good antioxidant activities as shown in DPPH and ABTS radical scavenging methods, represented by IC50 of 91.31±4.28 µg/mL and 85.17 ±3.91µg/mL, respectively. These findings have shown that this plant is a potential source of natural antioxidants.

Binary clusters of transition-metal and noble-metal elements have been gathering momentum for not only advanced fundamental understanding but also potential as elementary blocks of novel nanostructured materials. In this regard, the geometries, electronic structures, stability, and magnetic properties of Cr-doped Cu n , Ag n , and Au n clusters (n = 2–20) have been systematically studied by means of density functional theory calculations. It is found that the structural evolutions of CrCu n and CrAg n clusters are identical. The icosahedral CrCu12 and CrAg12 are crucial sizes for doped copper and silver species. Small CrAu n clusters prefer the planar geometries, while the larger ones appear as on the way to establish the tetrahedral CrAu19. Our results show that while each noble atom contributes one s valence electron to the cluster shell, the number of chromium delocalized electrons is strongly size-dependent. The localization and delocalization behavior of 3d orbitals of the chromium decide how they participate in metallic bonding, stabilize the cluster, and give rise to and eventually quench the spin magnetic moment. Moreover, molecular orbital analysis in combination with a qualitative interpretation using the phenomenological shell model is applied to reveal the complex interplay between geometric structure, electronic structure, and magnetic moment of clusters. The finding results are expected to provide greater insight into how a host material electronic structure influences the geometry, stability, and formation of spin magnetic moments in doped systems.