A5103112111- Soil Carbon and Nitrogen Dynamics
- Peatlands and Wetlands Ecology
- Advanced Chemical Physics Studies
- Photochromic and Fluorescence Chemistry
- Photochemistry and Electron Transfer Studies
- Luminescence and Fluorescent Materials
- Polyoxometalates: Synthesis and Applications
- Photoreceptor and optogenetics research
- Mesoporous Materials and Catalysis
- Plant nutrient uptake and metabolism
- Synthesis and biological activity
- Atmospheric chemistry and aerosols
- Atmospheric Ozone and Climate
- Environmental and Agricultural Sciences
- Organic Chemistry Cycloaddition Reactions
- Molecular Sensors and Ion Detection
- Agriculture, Soil, Plant Science
- Climate change and permafrost
- Multicomponent Synthesis of Heterocycles
- Advanced Image and Video Retrieval Techniques
- Bioenergy crop production and management
- Literary Theory and Cultural Hermeneutics
- Porphyrin and Phthalocyanine Chemistry
- Contemporary Literature and Criticism
- Soil and Water Nutrient Dynamics
Xinxiang Medical University
2018-2024
Shaanxi Normal University
2017-2024
Jiangxi Institute of Red Soil
2014-2024
Lanzhou University
2024
South China Normal University
2023
Ministry of Agriculture and Rural Affairs
2022
Lanzhou University of Technology
2013
Gansu Research Institute of Chemical Industry
2011
Hunan University of Humanities, Science and Technology
2009
A series of novel spirooxindole-
The photochemistry of Criegee intermediates plays a significant role in atmospheric chemistry, but it is relatively less explored compared with their thermal reactions. Using multireference CASPT2 electronic structure calculations and CASSCF trajectory surface-hopping molecular dynamics, we have revealed dark-state-involved A1A → X1A photoisomerization channel the simple intermediate (CH2OO) that leads to cyclic dioxirane. excited molecules on state, which can either originated from B1A...
The growth of ratoon rice (Oryza sativa L.) is affected by main rice, so it could be evaluated determining growing condition rice.Objective the study was to find regression model for predicting rhythm through establishing quantitative relationship between in and normalized difference vegetation index (NDVI) after heading rice.NDVI at key stages measured using active spectrometry 12 varieties 2008 23 2009, compared physiological indexes rice.There an exponential correlation (P < 0.05) NDVI...
The effect of the urease inhibitor, N-(n-butyl) thiophosphoric triamide (NBPT) at a range application rates on rice production was examined in field experiment Jinxian County, Jiangxi Province, China.The normalized difference vegetation index (NDVI) measured key growth stages both early and late rice.The results showed that grain yield increased significantly when urea applied with NBPT, highest observed 1.00% NBPT (wt/wt).NDVI differed stage rice; it remained steady from heading to filling...
In recent years, salicylaldehyde azine derivatives with high quantum yield and large Stokes shift for aggregation-induced emission (AIE) have attracted wide attention. To understand the fluorescence quenching AIE mechanism, as well reveal effect of distinct substituents on luminescence properties, herein we carried out a comparative study two (namely, DPAS FAS) using QM(MS-CASPT2//TD-DFT) ONIOM(QM:MM) calculations. Computational results show that ESIPT processes FAS are unfavorable both in...
Dramatic substitution effects by saturated and unsaturated substituents on the photodynamics of Criegee intermediates.
Photochromic phenylhydrazones are one of the most promising candidates for a photoswitchable fluorescent probe with potential applications in various fields, but mechanistic understanding origin this unique behavior is limited. In work, we explored emission nature and switching mechanism model phenylhydrazone-based photoswitch, DMA-PHA, by means TD-DFT CASPT2 calculations. The fluorescence-emitting Z configuration DMA-PHA does not involve an excited-state intramolecular proton transfer...
The CASSCF/CASPT2 calculations reveal the dominant channel of DASA photocyclization, i.e. , a thermal-then-photo EEZ → EZZ EZE isomerization.
Abstract The sustainability of food production systems requires accurate assessments the combined impacts climate change and soil fertility on crop yield. However, a knowledge gap remains regarding interactions for determination yield sustainability. For this study, we investigated how affected maize its over 30‐year experiment red soil. Seven fertilization treatments were selected (CK (no fertilizer), N (chemical nitrogen), NP nitrogen phosphorus), NK potassium), NPK, M (pig manure), NPKM...
Methacrolein oxide (MACR-OO), the isopropenyl substituted Criegee intermediate (CI), is one product of isoprene ozonolysis. In this work, we report MACR-OO's photo-isomerization paths with electronic structure calculation at CASSCF and MS-CASPT2 levels trajectory surface-hopping (TSH) nonadiabatic dynamics simulation level. Our calculated results show that ring-closure dominant photo-induced unimolecular isomerization MACR-OO in S1 state. addition, a new to heterocyclopentane dioxole...
乙烯类化合物(
Methyl vinyl ketone oxide, an unsaturated four-carbon Criegee intermediate produced from the ozonolysis of isoprene has been recognized to play a key role in determining tropospheric OH concentration. It exists four configurations (anti-anti, anti-syn, syn-anti, and syn-syn) due two different substituents saturated methyl groups. In this study, we have carried out electronic structure calculation at multi-configurational CASSCF multi-state MS-CASPT2 levels, as well trajectory surface-hopping...
In understanding the mechanism of aggregation-induced emission (AIE), multilevel ONIOM framework has been demonstrated as one efficient tools that can capture essential mechanistic information by choosing a single fluorophore quantum mechanics (QM) model and putting all surrounding molecules in low-level region. Recently, ionic styryl-pyridine salt (namely, SPH) reported new class AIEgen with high fluorescence yield. SPH crystal, pair are closely stacked each other an antiparallel,...
Mineral-bound organic carbon in soil, especially iron-bound (Fe-OC), plays a pivotal role storage. Understanding the controlling factors and distribution patterns of Fe-OC is crucial for improving Earth system model predictability study land C-climate feedbacks. This study, centered on Tibetan Plateau, involves soil sample collection from various locations. Chemical analysis machine learning methods are employed to unveil relative significance climate formation. Results indicate that (SOC)...
<title>Abstract</title> Background and aims: Red soil is one of the main types in southern China, but potassium (K) availability varies greatly among red soils developed from different parental materials. The objective was to provide precise guidance for efficiently utilizing resources regions. Methods This study selected three materials, which include quaternary clay (QRC), granite (GRA), purple sand shale (PSS) A pot experiment conducted with varying practices fertilization, including...