DG polynomial algebras and their homological properties

In this paper, we introduce and study differential graded(DG for short) polynomial algebras. In brief, a DG polynomial algebra A is a connected cochain DG algebra such that its underlying graded algebra A~# is a polynomial algebra K[x_1, x_2,..., x_n] with |xi| = 1 for any i ∈ {1, 2,..., n}. We describe all possible differential structures on DG polynomial algebras, compute their DG automorphism groups, study their isomorphism problems, and show that they are all homologically smooth and Gorenstein DG algebras. Furthermore, it is proved that the DG polynomial algebra A is a Calabi-Yau DG algebra when its differential ?_A≠ 0 and the trivial DG polynomial algebra(A, 0) is Calabi-Yau if and only if n is an odd integer.     

Bilinear formalism,lump solution,lumpoff and instanton/rogue wave solution of a (3+1)-dimensional B-type Kadomtsev–Petviashvili equation

Nonlinear Dynamics - We consider the simplified (3+1)-dimensional B-type Kadomtsev–Petviashvili equation. We use the binary Bell polynomial theory to construct a bilinear form of the...     

Molecular simulation study on the self-assembly behaviors of zwitterionic heterogemini surfactant in aqueous solution

The self-assembly behaviors of a series of zwitterionic heterogemini surfactants C_mH_2m+1-PO^4–(CH₂)₂-N⁺(CH₃)₂-C_nH_2n+1, abbreviated as C_m-P-N-C_n (m, n?=?9, 9; 9, 12; 9, 15; 9, 18; 12, 12; 12, 15; 12, 18; 15, 15; 15, 18; 18, 18), have been investigated in aqueous solution by the dissipative particle dynamics (DPD) method. Morphologies such as sphere (S), rod (R), planar grid (PG), lamella (L), honeycomb (H), one-, two-, and three-dimensional tunnels (1DT, 2DT, and 3DT) have been observed showing more diversities than those of the corresponding symmetric gemini surfactants C_m-N-N-C_m (m?=?9, 12, 15, 18). With the increase of surfactant concentration in the aqueous solution, a distinct transition path ‘‘S—R—PG—3DT—L—2DT—1DT’’ is proved to be common for all the C_m-P-N-C_n systems. Besides, the hydrophobic chain length has a significant influence on the self-assembly behaviors in the case of m?≠?n. Radial distribution function is an effective method to quantitatively evaluate the interaction and relationship between each functional group in the surfactant molecule and water. Results can provide a new insight into the self-assembly behaviors of zwitterionic heterogemini surfactants and the corresponding applications.     

Attraction behaviour of Anagrus nilaparvatae to remote lemongrass (Cymbopogon distans) oil and its volatile compounds

Utilisation of Anagrus nilaparvatae is a promising and effective method for planthoppers manipulation. Twenty-seven components of remote lemongrass (Cymbopogon distans) oil were identified by GC/MS and nine volatiles were selected for behavioural experiments. In this study, we noted that the remote lemongrass oil was attractive to female A. nilaparvatae at concentrations of 0.1 and 1 mg/L. α-Pinene, β-pinene, eucalyptol, carveol and D-carvone attracted female wasps in the dose-dependent bioassays. Blend 1 (a mixture of eucalyptol, D-carvone, carveol, α-pinene, and β-pinene with ratios of remote lemongrass oil volatiles of 625:80:11:5:3) attracted female wasps at 10 mg/L, while blend 2 (a mixture of the same five volatiles at the same loading ratio) attracted them at 0.1 and 1 mg/L. These results suggested that plant essential oils could be attractants for natural enemies to control pests. The ratios of volatiles in the mixtures affect the attractiveness of the synthetic mixtures.     

The relation between chemical structure of dicarboxylic dihydrazide compounds and nucleation effect in isotactic polypropylene

Journal of Thermal Analysis and Calorimetry - A series of dicarboxylic dihydrazide compounds (DCDH-R-n) were prepared and used as nucleating agents for isotactic polypropylene (iPP). To investigate...     

Daphnane Diterpenoids of Trigonostemon thyrsoideus

Chemistry of Natural Compounds -     

Synergistic N-Heterocyclic Carbene/Palladium-Catalyzed Umpolung 1,4-Addition of Aryl Iodides to Enals

An umpolung 1,4-addition of aryl iodides to enals promoted by cooperative (terpy)Pd/NHC catalysis was developed that generates various bioactive β,β-diaryl propanoate derivatives. This system is not only the first reported palladium-catalyzed arylation of NHC-bound homoenolates but also expands the scope of NHC-induced umpolung transformations. A diverse array of functional groups such as esters, nitriles, alcohols, and heterocycles are tolerated under the mild conditions. This method also circumvents the use of moisture-sensitive organometallic reagents.     

Theoretical investigation into coordination and selectivity of uranyl-unilateral benzotriazole salophens (X = O/S) for R/S-triadimefons

The design of new uranyl-ligands (uranyl-Ls) is of great significance for the separation and utilization of uranium. In this paper, the triazole group was introduced into uranyl-salophen (uranyl-S) to form new asymmetric uranyl-unilateral benzotriazole salophen (uranyl-UBS); we further replaced two oxygen atoms of uranyl-UBS with two sulfur atoms to generate uranyl-unilateral benzotriazole thio-salophen (uranyl-UBTS) as a new receptor. Then, we comprehensively explored coordination models of uranyl-UBS and uranyl-UBTS with R/S-triadimefons (R/S-TDFs) enantiomers as the guests using density functional theory calculations at the B3LYP//RECP/6-311G** level; we then investigated enantioselectivity recognition of the new receptors to the guests R/S-TDFs. The results indicated that the uranium atoms of the receptors uranyl-S, uranyl-UBS and uranyl-UBTS could coordinate with the carbonyl oxygens in guests R/S-TDFs to form complexes of guest-receptors R/S-TDFs-uranyl-Ls that exhibited two stable V-shaped structures with quite different properties. It was found that the coordination ability to the guests R/S-TDFs is uranyl-UBTS > uranyl-UBS > uranyl-S, while the enantioselectivity for the guests is uranyl-UBTS > uranyl-S > uranyl-UBS and, when the receptor is the same, R-TDF has stronger coordination ability than S-TDF. These results provide information and theoretical supports for the experiments of asymmetric uranyl-UBS with R/S-TDFs, and produce a reference for further exploring the coordination characteristics of asymmetric uranyl-salophen with the triazole derivatives.     

Precise Synthesis of Ultra-High-Molecular-Weight Fluoropolymers Enabled by Chain-Transfer-Agent Differentiation under Visible-Light Irradiation

Ultra-high-molecular-weight (UHMW) polymers display outstanding properties and hold potential for wide applications. However, their precise synthesis remains challenging. Herein, we developed a novel reversible-deactivation radical polymerization based on the strong and selective fluorine–fluorine interaction, allowing chain-transfer agents to spontaneously differentiate into two groups that take charge of the chain growth and reversible deactivation of the growing chains, respectively. This method enables dramatically improved livingness of propagation, providing UHMW polymers with a surprisingly narrow molecular weight distribution (Đ≈1.1) from a variety of fluorinated (meth)acrylates and acrylamide at quantitative conversions under visible-light irradiation. In situ chain-end extensions from UHMW polymers facilitated the synthesis of well-defined block copolymers, revealing the excellent chain-end fidelity achieved by this method.