A previous study reported an observed unidentified graphite/hexagonal boron nitride (hBN) superlattice structure in special multilayer heterojunction devices via cross-sectional transmission electron microscopy [Haigh S. J. et al., Nat. Mater. 2012, 11, 764-767]. In this letter, we designed and confirmed two possible graphite/hBN superlattice structures (AA and Ab), which were probably the structures observed by the aforementioned experiment. The formation enthalpies of both structures were negative, indicating that they could be successfully synthesized as the previous experiment reported. The results also showed that both structures possessed dynamic stability and elastic stability. Importantly, the theoretical interlayer distances of AA and Ab were 3.34 and 3.30 Å, respectively, which were consistent with the experimental value of 3.32 Å. The X-ray diffraction patterns and Raman spectra of both structures were simulated to aid in distinguishing them. This study on the atomic structure of the graphite/hBN superlattice lays a foundation for further research and application of this material.The Peruvian stick insect Oreophoetes peruana is the only known animal source for unsubstituted quinoline in nature. https://www.selleckchem.com/products/ademetionine.html When disturbed, these insects discharge a defensive secretion containing quinoline. Analysis of samples obtained from l-[2',4',5',6,'7'-2H5]tryptophan-fed stick insects demonstrated that the insects convert it to [5,6,7,8-2H4]quinoline by removing the 2'-CH moiety in the indole ring of tryptophan. Analogous experiments using l-[1'-15N]tryptophan and l-[1'-15N,15NH2]tryptophan showed that the indole-N atom is retained while the α-amino group is eliminated during the biosynthesis. Mass spectra recorded from quinoline derived from [2-13C1]tryptophan-fed insects indicated that the α-carbon atom of tryptophan is incorporated as the C-2 atom of the quinoline ring.We report an efficient catalytic protocol that chemoselectively reduces nitroarenes to arylamines, by using methylhydrazine as a reducing agent in combination with the easily synthesized and robust catalyst tris(N-heterocyclic thioamidate) Co(III) complex [Co(κS,N-tfmp2S)3], tfmp2S = 4-(trifluoromethyl)-pyrimidine-2-thiolate. A series of arylamines and heterocyclic amines were formed in excellent yields and chemoselectivity. High conversion yields of nitroarenes into the corresponding amines were observed by using polar protic solvents, such as MeOH and i PrOH. Among several hydrogen donors that were examined, methylhydrazine demonstrated the best performance. Preliminary mechanistic investigations, supported by UV-vis and NMR spectroscopy, cyclic voltammetry, and high-resolution mass spectrometry, suggest a cooperative action of methylhydrazine and [Co(κS,N-tfmp2S)3] via a coordination activation pathway that leads to the formation of a reduced cobalt species, responsible for the catalytic transformation. In general, the corresponding N-arylhydroxylamines were identified as the sole intermediates. Nevertheless, the corresponding nitrosoarenes can also be formed as intermediates, which, however, are rapidly transformed into the desired arylamines in the presence of methylhydrazine through a noncatalytic path. On the basis of the observed high chemoselectivity and yields, and the fast and clean reaction processes, the present catalytic system [Co(κS,N-tfmp2S)3]/MeNHNH2 shows promise for the efficient synthesis of aromatic amines that could find various industrial applications.The bulk photovoltaic effect in noncentrosymmetric materials is an intriguing physical phenomenon that holds potential for high-efficiency energy harvesting. Here, we study the shift current bulk photovoltaic effect in the transition-metal dichalcogenide MoS2. We present a simple automated method to guide materials design and use it to uncover a distortion to monolayer 2H-MoS2 that dramatically enhances the integrated shift current. Using this distortion, we show that overlap in the Brillouin zone of the distributions of the shift vector (a quantity measuring the net displacement in real space of coherent wave packets during excitation) and the transition intensity is crucial for increasing the shift current. The distortion pattern is related to the material polarization and can be realized through an applied electric field via the converse piezoelectric effect. This finding suggests an additional method for engineering the shift current response of materials to augment previously reported methods using mechanical strain.In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium under the effect of an electric field. As an example, the effect of an electric field on the water/glycerol solid-liquid phase diagram is computed over the complete mole fraction range. We show that the application of an electric field can affect the composition dependent freezing and precipitating processes, changing freezing and precipitating temperatures and changing the eutectic point temperature and mole fraction.Nitrosyl metal complexes (M-NO), in which nitrosyl ligands are coordinated to transition-metal ions, have been studied from the viewpoints of physiological activity, catalytic activity, and photosensitivity. The structural flexibility and electric polarization of the nitrosyl ligand are attractive characteristics. Herein we show a photoswitchable nonlinear-optical (NLO) crystal based on a dysprosium-iron nitrosyl assembly. This crystal is composed of a one-dimensional chain structure in the polar Pna21 space group. Because of spontaneous electric polarization, it exhibits a NLO effect of second harmonic generation (SHG). The SHG signal reversibly changes by alternate irradiation with 473 and 804 nm laser lights. The observed photoreversible switching effect on SHG is caused by photoinduced linkage isomerization of the metal nitrosyl sites, i.e., M-N+═O ↔ M-O═N+. Such an optically switchable NLO crystal should be useful for optical devices such as optical filters and optical shutters as well as probes in SHG microscopy.In this research, six neonicotinoid analogs derived from l-proline were synthesized, characterized, and evaluated as insecticides against Xyleborus affinis. Most of the target compounds showed good to excellent insecticidal activity. To the best of our knowledge, this is the first report dealing with the use of enantiopure l-proline to get neonicotinoids. These results highlighted the compound 9 as an excellent candidate used as the lead chiral insecticide for future development. Additionally, molecular docking with the receptor and compound 9 was carried out to gain insight into its high activity when compared to dinotefuran. Finally, the neurotoxic evaluation of compound 9 showed lower toxicity than the classic neonicotinoid dinotefuran.