Study on the Land Reclamation of Oilfield of Gurbantunggut Desert in Junggar Basin

The exploration and development of oilfield results in damages to land resources. Along with the further development of petroleum in the Gurbantunggut Desert, the fragile ecological environment and land resource was suffering much more damage. Vegetation degradation and desertification become more prominent. In response to the damage to the fragile ecological environment and oilfield in the Gurbantunggut Desert, limit condition method was used to evaluate the suitability of land reclamation suitability. Results suggested that the main restraining factors for land reclamation were soil condition and water resources. Based on the effect and shortage of oilfield in the Gurbantunggut Desert Oilfield, the reclamation of oilfield in the Gurbantunggut desert was discussed.

Design,synthesis and bioassay of the emerging photo-responsive fungicides

Precise and spatiotemporal control over the pesticide remains to be a challenge.More efficient controlled release systems(CRSs)have been developed to support the precise delivery of active ingredients.Herein,we incorporated the photoremovable protecting groups(PRPGs)into phenamacril(PHE)and obtained two photo-responsive fungicides of NV-PHE and DEACM-PHE.The 4,5-dimethoxy-o-nitrobenzyl(NV)or 7-diethylaminocoumarin(DEACM)-caged PHE could release the active molecule PHE after irradiation of UV light and blue light,respectively.Optical properties and in-vitro/vivo fungicidal activities of NV-PHE and DEACM-PHE demonstrated the feasibility for light controlled release of PHE.DEACM-PHE could release 98%PHE by illumination of blue light.The irradiated DEACM-PHE could preserve the similar bioactivity of PHE,and significantly improve the in-vitro/vivo fungicidal activities compared to the non-irradiated DEACM-PHE.The optical controlled release of PHE from DEACM-PHE enabled the precise and spatiotemporal delivery of PHE,diversifying the development of CRSs for pesticide,and providing environmentfriendly agricultural applications with high pesticide efficiency.

Synthesis,insecticidal activity and stability study of novel nitromethylene neonicotinoids with five-membered aromatic heterocycles

Twenty-four novel neonicotinoid analogues with nitromethylene and five-membered aromatic heterocycles were designed and synthesized.All target molecular structures have been confirmed by analytical and spectral data.Some compounds exhibited notable insecticidal activities against aphid(Aphis medicaginis)and brown planthopper(Nilaparvata lugens).The aqueous stability test confirmed that the stabilities of those compounds were superior to the leading compound,and the photostability was even better than that of imidacloprid.

Light-triggered release of insecticidally active spirotetramat-enol

Spirotetramat metabolizes to its active enol form in the plant. We described here a photocaged pesticide delivery system that can release insecticidal spirotetramat enol form upon light irradiation. Covalently linking spirotetramat-enol with photoresponsive coumarin generated the caged insecticide. The photophysical and photochemical properties, deprotection photolysis and insecticidal activities of the caged spirotetramat enol were studied. This light-triggered system can undergo cleavage to release free spirotetramat enol form at the presence of blue light （420 nm） or sunlight, Bioassays indicated that the triggered molecule has no obvious insecticidal activity against Aphis craccivora Koch at dark and could be activated by light to release the insecticidal ingredients, which provides precise control over insecticide delivery.

Thiazolylhydrazone dervatives as inhibitors for insect N-acetyl-β-D-hexosaminidase and chitinase

Insect chitinase and N-acetyl-β-D-hexosaminidases(Hex)are potential targets for developing new pesticides.Here,a series of thiazolylhydrazonesⅠ(with substituted group R1 at N3)andⅡ(with substituted group R1 at N2)were designed,synthesised and evaluated as competitive inhibitors of OfHexl and OfChi-h,from the agricultural pest Ostrinia furnacalis,DerivativesⅠ-3 d andⅡ-3 d,with phenoxyethyl group at R1,demonstrated the best inhibitory activities against OfHexl and OfChi-h.Molecular docking analysis indicated that the branched conformation compound II-3 d(Ki=1.5μmol/L)formed more hydrogen bonds with OfHexl than the stretched conformation compound I-3 d(Ki=5.9μmol/L).The differences in compounds’binding conformations with OfChi-h explained differences in inhibitory activity of compounds I-3 d(Ki=1.9μmol/L)and II-3 d(Ki=4.1μmol/L).This work suggests a novel scaffold for developing specific Hex and Chi-h inhibitors.

Synthesis of Trisubstituted Isoxazoles from Nitroenamines and Aromatic Aldehydes

为从 nitroenamines 和芳香的醛的 trisubstituted isoxazoles 的合成的一条新奇途径被开发。L-Proline/potassium 碳酸盐系统被采用支持这进程。反应经历了 nitroenamines 的亲核的攻击到 H 2 供应目标混合物的 O。

Synthesis and insecticidal bioactivities of 2,3-dihydroimidazo[1,2-a] pyridin-5(1H)-one derivatives

A novel synthesis of 2,3-dihydroimidazo[1,2-a]pyridin-5 (1H)-one 4 and its derivatives were described.Preliminary bioassays showed that some of the target compounds exhibited excellent insecticidal activities against brown planthopper (Nilaparvata lugens), cowpea aphids (Aphis craccivora) (4,5 a, 5 c, 5 g,5 h, 5 j, 5 r, 6 b, 6 e) and carmine spider mite (Tetranychus cinnabarinus (5 f, 5 s, 6 a) at 500 mg/L. Among them,compound 4 was still active against brown planthopper and cowpea aphids at 4 mg/L. The insecticidal activities were influenced by the types and position of the substituents, which provided guidance for the structure modifications.

Synthesis and Insecticidal Evaluation of Novel Phthalic Diamides Containing 1,2,3-Triazoles via Click Reaction

A series of novel phthalic diamide derivatives containing 1,2,3-triazole moiety were synthesized using one-pot click chemistry approach and characterized by ^(1)H NMR and HRMS.The insecticidal activity against armyworm(Mythimna separata),Tetranychus cinnabarinus and cowpea aphid(Aphis craccivora)was evaluated.Compounds 4Ⅱ-a and 4Ⅱ-i showed 50%insecticidal activity against armyworm(Mythimna separata)at the concentration of 4 mg/L and one-third of the compounds had moderate activity against Tetranychus cinnabarinus at 500 mg/L.

Water bridges are essential to neonicotinoids: Insights from synthesis,bioassay and molecular modelling studies

Water-bridged H-bonds have been observed in many cases of ligand-receptor recognitions. To explore the roles of water bridges in the binding of neonicotinoids with receptors, twenty-four neonicotinoid compounds with nine fragments, including 1 H-1,2,3-triazole, CN, COOMe, CONHNH_2, CONHMe, NO_2,NH_2, NHCOMe and NHCSNH_2 were synthesized and evaluated, of which, compounds with cyano group showed the best activities against Aphis craccivora. Accordingly, the cyano group is the optimal fragment mimicking the water bridge. Two cyano-substituted cis-nitromethylene compounds display good insecticidal activities, whereas the LC_(50) values are lower than those of their corresponding prototypes.Docking study showed that the cyano group acts only as H-bond acceptor, while the water bridge can act as both donor and acceptor. It revealed that the water bridge might be stable in the active site and was not suitable to be replaced by other groups. The findings illustrated that the water bridge is necessary for high insecticidal activities of neonicotinoids, which should be also helpful in better understanding the binding mode of neonicotinoids.

Naphthalimide and quinoline derivatives as inhibitors for insect N-acetyl-β-D-hexosaminidase

Insect chitinolyticβ-N-acetyl-D-hexosaminidase,such as OfHex1 from Ostrinia furnacalis,is a potential target for insecticide design.Among the known OfH ex1 inhibitors,Q2 is of great interest because it is the first non-carbohydrate inhibitor.In this study,we designed and synthesized a series of Q2 derivatives by replacing the thiadiazole and naphthalimide groups and changing the linker length.Compound 3 m showed the best inhibitory activity with a Kivalue of 0.34 mmol/L against OfHex1,which is about onequarter that of Q2(K_i=1.4 mmol/L).Compound 6 a showed the best inhibitory activity among the quinoline-containing derivatives(K_i=2.3 mmol/L).Molecular docking indicated that although 3 m,6 a,and Q2 binding the active pocket of OfHex1 in similar mode,compound 3 m engaged better than the other compounds in intermolecular interaction with OfH ex1.

A bench-stable reagent for C-4 selective deuteriodifluoromethylation of azines

Deuteriodifluoromethyl(CF_(2)D)is a challenging and important functional group due to difficult deuterium incorporation and lack of effective precursor reagents.Herein,we report a bench-stable reagent,deuteriodifluoromethyl phosphine(DDFP)from cheap deuterium source for selectivity deuteriodifluoromethylation of azines with a high deuterium incorporation yield.The late-stage modification of complex molecules further confirmed the potential of this reagent for practical applications.We expect that our reagent to find applications in synthesis of isotope-labelled molecules of interests for drug-discovery and related ilucidation of mechanism of action.

Computational Investigations about the Effects of Heteromolecular Aggregation on Bioactivities:a Case of Neonicotinoids and Water

Molecular aggregation state of bioactive compounds plays a key role in bio-interactive procedure.Diverse ag-gregation states of bioactive compounds contribute to different biological or chemical properties.Water-bridge,as the simple hetero-molecular aggregation,has been found bridging the binding between many bioactive compounds and their targets through hydrogen bonding network,e.g.in the recognition of neonicotinoids with insect nAChRs.To better understanding the roles of water-bridge on bioactivities of compounds,an approach of hetero-dimeric ag-gregation with water was proposed.Quantitative structure-activity relationship(QSAR)and pharmacophore mod-eling investigations were applied on 19 neonicotinoids,as well as their aggregates with water.The aggregate-based CoMSIA,PHASE and linear QSAR models presented better statistical significance and predictabilities than the monomer ones,which indicated that the bioactivities correlated with the aggregate properties and water bridged hy-drogen bond of the active site.All results revealed the essential roles of water-bridge in ligand recognition,which should be considered in future ligand design and optimization.