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ZIF-8 modified by isocyanate as a photocatalytic antibacterial agent

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Rare Metals 2024年第6期43卷 2708-2718页

作者： yi-Ning Zhang Zhen Pei Zi-Hao Wang Chong-En Wang Fen-Fen Liang Li-qiao Wei College of Architecture Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Interface Science and Engineering in Advanced Materials of Taiyuan University of Technology Ministry of EducationTaiyuan 030024China Department of Materials Science and Engineering Shanxi Institute of TechnologyYangquan 045000China Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030000China

Zeolite imidazole skeleton(ZIF-8)is a promising option for self-cleaning of building exterior walls due to its large specific surface area,high antibacterial activity and low ***,it suffers from low antibacterial efficiency and yield under visible light *** address the issues,we developed the photocatalytic materials T-ZIF-8-TDI(thermally treated-ZIF-8-toluene 2,4-diisocyanate)by modifying ZIF-8 with thermal oxygen sensitization and chemical *** results show that the yield of T-ZIF-8-TDI photocatalytic antibacterial agent is increased to 11.5 times of that of T-ZIF-8,while maintaining the crystal structure of T-ZIF-8 and thermal stability up to 60℃.Furthermore,T-ZIF-8-TDI exhibits extended optical response range to the nearinfrared region,significantly narrowed band gap,improved photogenerated elec tron-hole separation efficiency,reduced recombination rate,and excellent photocatalytic *** the concentration of antibacterial agent is 600 mg·L^(-1),the antibacterial rate of Escherichia coli(***)reaches 99.99%irradiated by visible light for30 min,and when the concentration of antibacterial agent is 200 mg·L^(-1),the antibacterial rate of Staphylococcus aureus(***)reaches 99.99%irradiated by visible light for 25 *** also analyzed the reasons in detail from the aspects of bacterial species and antibacterial mechanism,and proposed the antibacterial mechanism of·O_(2)^(-)and h^(+)as the main active *** findings suggest that T-ZIF-8-TDI photocatalytic antibacterial agent has potential for use in self-cleaning of building exterior walls.

关键词： ZIF-8 Hot oxygen sensitization Modified by isocyanate Antimicrobial performance Photocatalytic antibacterial mechanism

Spin effect on redox acceleration and regioselectivity in Fe-catalyzed alkyne hydrosilylation

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National Science Review 2024年第2期11卷 155-167页

作者： Peng He Meng-Yang Hu Jin-Hong Li Tian-Zhang qiao yi-Lin Lu Shou-Fei Zhu Frontiers Science Center for New Organic Matter State Key Laboratory and Institute of Elemento-Organic Chemistry Nankai University

Iron catalysts are ideal transition metal catalysts because of the Earths abundant, cheap, biocompatible features of iron salts. Iron catalysts often have unique open-shell structures that easily undergo spin crossover in chemical transformations, a feature rarely found in noble metal catalysts. Unfortunately, little is known currently about how the open-shell structure and spin crossover affect the reactivity and selectivity of iron catalysts, which makes the development of iron catalysts a low efficient trial-and-error program. In this paper, a combination of experiments and theoretical calculations revealed that the iron-catalyzed hydrosilylation of alkynes is typical spin-crossover catalysis. Deep insight into the electronic structures of a set of well-defined open-shell active formal Fe(0) catalysts revealed that the spin-delocalization between the iron center and the 1,10-phenanthroline ligand effectively regulates the iron center's spin and oxidation state to meet the opposite electrostatic requirements of oxidative addition and reductive elimination, respectively,and the spin crossover is essential for this electron transfer process. The triplet transition state was essential for achieving high regioselectivity through tuning the nonbonding interactions. These findings provide an important reference for understanding the effect of catalyst spin state on reaction. It is inspiring for the development of iron catalysts and other Earth-abundant metal catalysts, especially from the point of view of ligand development.

关键词： spin effect spin-delocalization spin crossover iron-catalysis alkyne hydrosilylation

Intrinsic correlation between the generalized phase equilibrium condition and mechanical behaviors in hydrate-bearing sediments

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第7期16卷 2822-2832页

作者： Jiazuo Zhou Changfu Wei Rongtao Yan Yuan Zhou yi dong Hubei Key Laboratory of Marine Geological Resources College of Marine Science and TechnologyChina University of GeosciencesWuhanChina State Key Laboratory of Geomechanics and Geotechnical Engineering Institute of Rock and Soil MechanicsChinese Academy of SciencesWuhanChina Guangxi Key Laboratory of New Energy and Building Energy Saving College of Civil Engineering and ArchitectureGuilin University of TechnologyGuilinChina

The phase equilibrium and mechanical behaviors of natural gas hydrate-bearing sediment are essential for gas recovery from hydrate *** heating closed systems,the temperature-pressure path of hydrate-bearing sediment deviates from that of pure bulk hydrate,reflecting the porous media effect in phase equilibrium.A generalized phase equilibrium equation was established for hydrate-bearing sediments,which indicates that both capillary and osmotic pressures cause the phase equilibrium curve to shift leftward on the temperature-pressure *** contrast to bulk hydrate,hydrate-bearing sediment always contains a certain amount of unhydrated water,which keeps phase equilibrium with the hydrate within the hydrate stability *** changes in temperature and pressure,a portion of pore hydrate and unhydrated water may transform into each other,affecting the shear strength of hydrate-bearing sediment.A shear strength model is proposed to consider not only hydrate saturation but also the change in temperature and pressure of hydrate-bearing *** model is validated by experimental data with various hydrate saturation,temperature and pressure *** deformation induced by partial dissociation was studied through depressurization tests under constant effective *** reduction in gas pressure within the hydrate stability field indeed caused sediment *** dissociation-induced deformation can be reasonably estimated as the difference in volume between hydrate-bearing and hydrate-free sediments from the compression curves.

关键词： Hydrate-bearing sediment Generalized phase equilibrium Unhydrated water Partial dissociation Mechanical behavior

Oilfield analogy and productivity prediction based on machine learning: Field cases in PL oilfield, China

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Petroleum Science 2024年第4期21卷 2554-2570页

作者： Wen-Peng Bai Shi-Qing Cheng Xin-Yang Guo Yang Wang qiao Guo Chao-dong Tan State Key Laboratory of Petroleum Resources and Engineering China University of Petroleum (Beijing)

In the early time of oilfield development, insufficient production data and unclear understanding of oil production presented a challenge to reservoir engineers in devising effective development plans. To address this challenge, this study proposes a method using data mining technology to search for similar oil fields and predict well productivity. A query system of 135 analogy parameters is established based on geological and reservoir engineering research, and the weight values of these parameters are calculated using a data algorithm to establish an analogy system. The fuzzy matter-element algorithm is then used to calculate the similarity between oil fields, with fields having similarity greater than 70% identified as similar oil fields. Using similar oil fields as sample data, 8 important factors affecting well productivity are identified using the Pearson coefficient and mean decrease impurity（MDI） method. To establish productivity prediction models, linear regression（LR）, random forest regression（RF）, support vector regression（SVR）, backpropagation（BP）, extreme gradient boosting（XGBoost）, and light gradient boosting machine（Light GBM） algorithms are used. Their performance is evaluated using the coefficient of determination（R2）, explained variance score（EV）, mean squared error（MSE）, and mean absolute error（MAE） metrics. The Light GBM model is selected to predict the productivity of 30 wells in the PL field with an average error of only 6.31%, which significantly improves the accuracy of the productivity prediction and meets the application requirements in the field. Finally, a software platform integrating data query,oil field analogy, productivity prediction, and knowledge base is established to identify patterns in massive reservoir development data and provide valuable technical references for new reservoir development.

关键词： Data mining technique Analogy parameters Oilfield analogy Productivity prediction Software platform

Evolution of Cenozoic sedimentary architecture in Central and Southern South China Sea basins

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Journal of Palaeogeography 2024年第1期13卷 35-53页

作者： Wu Tang Xiao-Jun Xie yi-Bo Wang Lian-qiao Xiong Jia Guo Xin Li China National Offshore Oil Corporation Research Institute Beijing 100028China

The Central and Southern South China Sea(CSSCS) has a complex tectonic dynamic background and abundant oil and gas resources, which has always been a hot topic of academic and industrial ***, systematic analyses are still lacking regarding its sediment filling structure and evolution, mostly due to limited borehole penetration and poor quality of seismic reflection data for deeply buried sequences. No consensus has been reached yet on the sedimentary infilling processes, which impeded the reconstruction of the palaeogeography of Southeast Asia and the oil-and-gas exploration undertakings. Here, we illustrate the Cenozoic sedimentary evolution of the CSSCS region by synthesizing relevant data from previous literature and our own observations and displaying the evolution of depositional systems in sequential reconstructions. Besides, the controlling factors of preferred sedimentary scenarios in the CSSCS incorporate the latest interpretations of the spreading of South China Sea(SCS) as well as the demise of the hypothetical Proto-South China Sea(PSCS). The results show that there are three types of sedimentary basins in the CSSCS(foreland,strike-slip, and rift basins) with different sedimentary filling structures. The foreland basins formed a depositional pattern of ‘transition from deep water to shallow water environments', dominated by deep-water depositional systems which were formed before the Early Oligocene with submarine fans developed. Later,the foreland basins were gradually dominated by shallow-water depositional systems with deltas and shallow marine facies. The strike-slip basins showed the depositional architecture of ‘transition from lake to marine environments', i.e. the basins were dominated by lacustrine deposits during the Eocene and evolved into the marine depositional environment since Oligocene with delta developed in the western part of the basin. The depositional evolution of rift basins illustrated the characteristics of 'transiti

关键词： Central and Southern South China Sea Sedimentary filling Main controlling factors Proto-South China Sea South China Sea

Genomic divergence and mutation load in the Begonia masoniana complex from limestone karsts

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Plant Diversity 2024年第5期46卷 575-584页

作者： yiqing Chen Lina dong Huiqin yi Catherine Kidner Ming Kang Key Laboratory of National Forestry and Grassland Administration on Plant Conservation and Utilization in Southern China Guangzhou 510650China University of Chinese Academy of Sciences Beijing 100049China Guangxi Key Laboratory of Conservation and Restoration Ecology in Karst Terrain Guangxi Institute of BotanyGuangxi Zhang Autonomous Region and the Chinese Academy of SciencesGuilin 541006China Institute of Molecular Plant Sciences University of EdinburghDaniel Rutherford Building Max Born CrescentThe King's BuildingsEdinburgh EH93BFUK Royal Botanic Garden Edinburgh 20a Inverleith RowEdinburgh EH35LRUK State Key Laboratory of Plant Diversity and Specialty Crops South China Botanical GardenChinese Academy of SciencesGuangzhou 510650China

Understanding genome-wide diversity,inbreeding,and the burden of accumulated deleterious mutations in small and isolated populations is essential for predicting and enhancing population persistence and ***,these effects are rarely studied in limestone karst ***,we re-sequenced the nuclear genomes of 62 individuals of the Begonia masoniana complex(***,***,*** and ***)and investigated genomic divergence and genetic load for these four *** analyses revealed four distinct clusters corresponding to each species within the ***,there was only limited admixture between *** and *** occurring in overlapping geographic *** species experienced historical bottlenecks during the Pleistocene,which were likely caused by glacial climate *** detected an asymmetric historical gene flow between group pairs within this timeframe,highlighting a distinctive pattern of interspecific divergence attributable to karst geographic *** found that isolated populations of *** have limited gene flow,the smallest recent population size,the highest inbreeding coefficients,and the greatest accumulation of recessive deleterious *** findings underscore the urgency to prioritize conservation efforts for these isolated *** study is among the first to disentangle the genetic differentiation and specific demographic history of karst Begonia plants at the whole-genome level,shedding light on the potential risks associated with the accumulation of deleterious mutations over generations of ***,our findings may facilitate conservation planning by providing critical baseline genetic data and a better understanding of the historical events that have shaped current population structure of rare and endangered karst plants.

关键词： Conservation genomics Karst landscape Demographic history Inbreeding Isolated populations Mutation load

Deep decalcification of factory-provided freezing acidolysis solution to achieveα-high-strength gypsum

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Chinese Journal of Chemical Engineering 2024年第5期69卷 143-151页

作者： Wencai Ye Yulu Li Yonggang dong Lin Yang Yun yi Jianxin Cao School of Chemistry and Chemical Engineering Guizhou UniversityGuiyang 550025China Engineering Research Center of Efficient Utilization for Industrial Waste Guizhou UniversityGuiyang 550025China Key Laboratory of Guizhou Province for Green Chemical Industry and Clean Energy Technology Guizhou UniversityGuiyang 550025China

The freezing acidolysis solution of the nitric acid-phosphate fertilizer process has a high calcium content,which makes it difficult to produce fine phosphate and high water-soluble phosphate fertilizer ***,based on the potential crystallization principle of calcium sulfate in NH_(4)NO_(3)-H_(3)PO_(4)-H_(2)O,the deep decalcification(*** removal)technology to achieveα-high-strength gypsum originated from freezing acidolysis-solutions has been firstly proposed and ***,calcium can be removed from the factory-provided freezing acidolysis-solution by neutralizing it with ammonia,followed by the addition of ammonium sulfate *** a result,the formation of calcium sulfate in the reaction system undergoes the nucleation and growth of CaSO_(4)·2H_(2)O(DH),as well as its dissolution and crystallization into short columnarα-CaSO_(4)·0.5H_(2)O(α-HH).Remarkably,with the molar ratio of SO_(4)^(2-)/Ca^(2+)at 1.8,the degree of neutralization(NH_(3)/HNO_(3) molar ratio)at 1.7,the reaction temperature of 94℃,and the reaction time of 300 min,the decalcification rate can reach 86.89%,of which the high-strengthα-CaSO_(4)·0.5H_(2)O(α-HH)will be ***,the deep decalcification product meets the standards for the production of fine phosphates and highly water-soluble phosphate ***,the 2 h flexural strength ofα-HH is 5.3 MPa and the dry compressive strength is 36.8 MPa,which is up to the standard of commercialα-HH.

关键词： Nitrophosphate Ammonia neutralization Deep decalcification High-strengthα-hemihydrate gypsum Controlled crystallization at atmospheric pressure

Simultaneously improving fabrication accuracy and interfacial bonding strength of multi-material projection stereolithographybymulti-step exposure

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International Journal of Smart and Nano Materials 2024年第2期15卷 387-404页

作者： Xinghong Deng Guangyu Zhang yi Mo Zhiyuan Huang Dekai Zhou Jing qiao Longqiu Li State Key Laboratory of Robotics and System Harbin Institute of TechnologyHarbinChina School of Materials Science and Engineering Harbin Institute of TechnologyHarbinChina

Multi-material additive manufacturing(MMAM)takes full advantage of the ability to arbitrarily place materials of addi-tive manufacturing technology,enabling immense design free-dom and functional print *** MMAM technologies,projection stereolithography(PSL)exhibits a great balance of high resolution and fast printing ***,fabrication accuracy of multi-material PSL is hin-dered by large overcure used to strengthen interfacial bond-ing weakened by chemical affinity and material-exchange *** present a novel multi-step exposure method for multi-material PSL process to overcome this ***,the whole layer is moderately exposed producing over-cure of single-material PSL level to generate *** weakened interfaces are strengthened individually with addi-tional steps of *** multi-step exposure is integrated into the already efficient materials printing order of multi-material PSL *** depth and overcure of photocur-able resins are modeled and *** required to achieve sufficient interfacial bonding of single-material interfaces built through material-exchange process and multi-material interfaces with altering materials printing order is determined with tensile *** channels are used to compare fabrication accuracy of traditional single-step exposure and our multi-step exposure *** method can be widely applied in multi-material PSL to improve fabri-cation accuracy in a variety of applications including micro-fluidic devices.

关键词： Additive manufacturing multi-material projection stereolithography multi-step exposure interfacial bonding

Effects of the conversion of natural tropical rainforest to monoculture rubber plantations on soil hydrological processes

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Journal of Plant Ecology 2024年第2期17卷 122-133页

作者： qiaoyan Chen Ruiyu Fu Siyuan Cheng dong qiao Zhongmin Hu Zijia Zhang Licong Dai Hainan Baoting Tropical Rainforest Ecosystem Observation and Research Station School of Ecology and EnvironmentHainan UniversityHaikou 570228China Center for Eco-Environment Restoration Engineering of Hainan Province Hainan UniversityHaikou 570228China Hainan Ecological Environment Monitoring Center Haikou 570100China

Rubber plantations have increased signifcantly under unprecedented economic growth in tropical areas,which leads to soil degradation and thereby alters soil hydrological ***,our understanding of how forest conversion affects soil hydrological processes remains ***,we collected soil samples from secondary forests(SF)and rubber plantations(RP)to determine the soil hydrological *** found the topsoil(0-20 cm)water retention in SF was higher than that of RP but displayed the contrast pattern in a deeper soil layer(20-60 cm).Meanwhile,the soil infltration rates among the two vegetation types decreased signifcantly with infltration time,with higher stable soil infltration rates in SF than those in ***,soil properties were also impacted by the forest conversion,such as the topsoil capillary porosity(CP)and total porosity(TP)in SF were higher than those of RP but contrasted in a deep soil *** comparison,the topsoil bulk density(BD)in SF was lower than that of RP,but contrasted in the deep soil layer and reached a signifcant level in the 0-10 and 40-50 cm(P<0.05).Overall,the soil water retention was mainly determined by the CP,which could explain 31.56%of the total variance in soil water retention,followed by TP(26.57%)and soil BD(26.47%),whereas soil texture exerts a weak effect on soil water ***,we can conclude that the conversion of tropical rainforest into rubber plantations may accelerate soil erosion owing to its lower topsoil water retention and soil infltration rates.

关键词： soil water retention soil infltration soil physicochemical properties rubber plantations secondary forest