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Geochemical modeling to aid experimental design for multiple isotope tracer studies of coupled dissolution and precipitation reaction kinetics

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Acta Geochimica 2024年第1期43卷 1-15页

作者： Mingkun Chen peng lu Yongchen Song Chen Zhu Department of Earth and Atmospheric Sciences Indiana UniversityBloomingtonIN 47405USA School of Energy and Power Engineering Dalian University of TechnologyDalian 116024China EXPEC Advanced Research Center Saudi Aramco31311 DhahranSaudi Arabia

It is a challenge to make thorough but efficient experimental designs for the coupled mineral dissolution and precipitation studies in a multi-mineral system, because it is difficult to speculate the best experimental duration, optimal sampling schedule, effects of different experimental conditions, and how to maximize the experimental outputs prior to the actual experiments. Geochemical modeling is an efficient and effective tool to assist the experimental design by virtually running all scenarios of interest for the studied system and predicting the experimental outcomes. Here we demonstrated an example of geochemical modeling assisted experimental design of coupled labradorite dissolution and calcite and clayey mineral precipitation using multiple isotope tracers. In this study, labradorite(plagioclase) was chosen as the reactant because it is both a major component and one of the most reactive minerals in basalt. Following our isotope doping studies of single minerals in the last ten years, initial solutions in the simulations were doped withmultiple isotopes(e.g., Ca and Si). Geochemical modeling results show that the use of isotope tracers gives us orders of magnitude more sensitivity than the conventional method based on concentrations and allows us to decouple dissolution and precipitation reactions at near-equilibrium condition. The simulations suggest that the precise unidirectional dissolution rates can inform us which rate laws plagioclase dissolution has followed. Calcite precipitation occurred at near-equilibrium and the multiple isotope tracer experiments would provide near-equilibrium precipitation rates, which was a challenge for the conventional concentration-based experiments. In addition, whether the precipitation of clayey phases is the rate-limiting step in some multi-mineral systems will be revealed. Overall, the modeling results of multimineral reaction kinetics will improve the understanding of the coupled dissolution–precipitation in the multi-mineral systems and the quality of geochemic

关键词： Kinetics Feldspar Isotope doping Near-equilibrium CO_(2)sequestration Basalt

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Epigenetic regulation of SARS-Cov-2 spike protein modulates cellular viability and nascent RNA transcription in neuronal cells

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Genes & Diseases 2024年第2期11卷 535-538页

作者： Xi Kong peng lu Jinyue Zhang Zheng Bao Chenghao Kuang Bingqing Xie Jianhua peng Ning Ma Yong Jiang Shigang Yin Laboratory of Neurological Diseases and Brain Function The Affiliated Hospital of Southwest Medical UniversityLuzhouSichuan 646000China Institute of Epigenetics and Brain Science Southwest Medical UniversityLuzhouSichuan 646000China Department of Neurosurgery The Affiliated Hospital of Southwest Medical UniversityLuzhouSichuan 646000China Inflammation and Allergic Diseases Research Unit The Affiliated Hospital of Southwest Medical UniversityLuzhouSichuan 646000China

SARS-CoV-2 has been demonstrated to be highly susceptible to neuron-and glial-like cells,1 but there is no consensus regarding how the virus affects neurons following neuroinvasion.It is therefore unknown if and how SARS-CoV-2 maintains the homeostasis of neuronal cells.Herein,we revealed that the receptor-binding domain(RBD)of the SARS-CoV-2 spike protein acted as an extracellular remodeling component to undermine epigenetic regulation,perturbnascentRNA(nsRNA)transcription,promote mitochondrial biogenesis,and increase cellular viability in SH-SY5Y cells.

关键词： invasion homeostasis maintain

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Performance and mechanism of CO_(2) absorption during the simultaneous removal of SO_(2) and NO_(x) by wet scrubbing process

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Journal of Environmental Sciences 2024年第1期135卷 534-545页

作者： peng lu Xianhui Yan Lyumeng Ye Dingsheng Chen Dongyao Chen Jianhang Huang Chaoping Cen Guangdong Province Engineering Laboratory for Air Pollution Control South China Institute of Environmental SciencesMinistry of Ecology and EnvironmentGuangzhou 510655China Guangdong Provincial Key Laboratory of Water and Air Pollution Control Guangzhou 510655China School of Environmental Science and Engineering Sun Yat-sen UniversityGuangzhou 510275China

The co-removal of CO_(2)while removing SO_(2)and NOxfrom industrial flue gas has great potential of carbon emission reduction but related research is lacking.In this study,a wet scrubbing process with various urea solutions for desulfurization and denitrification was explored for the possibility of CO_(2)absorption.The results showed that the urea-additive solutions were efficient for NOxand SO_(2)abatement,but deliveredlution played a determining role during the absorption.The contradictory pH demands of CO_(2)absorption and denitrification were observed and discussed in detail.A higher pH of solution than 10 was favorable for CO_(2)absorption,while the oxidizing of NO to NO_(2),NO_(2)^(-)or NO_(3)^(-)by NaClO_(2)was inhibited in this condition.When7

关键词： CO_(2)absorption Synergistic desulfurization and denitrification Wet scrubbing process Urea-NaClO_(2)-Ca(OH)_(2)absorbent Carbonation reaction

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Zeolites for the environment

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Green Carbon 2024年第1期2卷 12-32页

作者： Qiaolin Lang peng lu Xiaobo Yang Valentin Valtchev The ZeoMat Group Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesLaoshan DistrictQingdao CN-266101China Normandie University ENSICAENUNICAENCNRSLaboratoire Catalyse et SpectrochimieCaen F-14000France

Zeolites are characterized by their microporous,crystalline structures with a four-connected framework with variable compositions,predominantly aluminosilicates.They are extensively utilized as adsorbents,catalysts,and ion exchangers across domestic and industrial sectors.With the ongoing energy transition from fossil fuels to renewable sources and the pursuit of environmentally sustainable development,zeolites are increasingly being explored beyond their traditional application fields.They are investigated for their adsorption and catalytic capabilities in the protection and restoration of air,water,and soil quality,as well as in the environmentally friendly“green”production of chemicals.This review article details these novel and potential applications of zeolites,emphasizing the unique properties that render them suitable for each specific use case and discussing how these properties can be fine-tuned through material selection or tailored synthesis methods.

关键词： Zeolite Environment Sorption Catalysis Air,water and soil protection Green production of chemicals

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Volatile Solid and Bury Period Influence on Odorous Material Production in Simulating Landfill Treatment

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Journal of Geoscience and Environment Protection 2024年第1期12卷 120-129页

作者： peng lu Yuanyuan Zhang Linan Xing Ying Wang Hong lu Dongbei Yue Wei Cheng Jin Liu Department of Environmental Engineering Technology Beijing Polytechnic Beijing China Beijing Municipal Institute of City Management Beijing China Department of Environmental Science and Engineering Tsinghua University Beijing China Chinese Academy of Meteorological Sciences Beijing China China Meteorological Administration Beijing China

Odor pollution in landfill area has attracted more social attention in China. It is very important to control the generation of odor pollutants in situ. Analyzing odorous materials production form buried waste, simulated columns of different volatile solid (VS) content and different buried period waste were designed. Gas compounds produced from the columns were collected and analyzed by comprehensive two-dimensional gas chromatography (GC × GC) method. It has remarkable relationship between VS content and concentrations of odorous material. When VS content more than 40%, the total amount of odorous compounds increases remarkably. It can be inferred that reduced VS content of original waste may effective decreasing odorous materials production in landfill area. The old rubbish produced more odorous compounds than that of fresh one in simulated columns.

关键词： Volatile Solid Odorous Material Bury Period

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Nomogram based on multimodal magnetic resonance combined with B7-H3mRNA for preoperative lymph node prediction in esophagus cancer

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World Journal of Clinical Oncology 2024年第3期15卷 419-433页

作者： Yan-Han Xu peng lu Ming-Cheng Gao Rui Wang Yang-Yang Li Rong-Qi Guo Wei-Song Zhang Jian-Xiang Song School of Clinical Sciences Graduate School of Nantong UniversityYancheng 226019Jiangsu ProvinceChina Department of Thoracic Surgery Yancheng Third People's HospitalThe Affiliated Hospital 6 of Nantong UniversityYancheng 224000Jiangsu ProvinceChina Department of Imaging Yancheng Third People's HospitalThe Affiliated Hospital 6 of Nantong UniversityYancheng 224000Jiangsu ProvinceChina

Accurate preoperative prediction of lymph node metastasis(LNM)in esophageal cancer(EC)patients is of crucial clinical significance for treatment planning and prognosis.AIM To develop a clinical radiomics nomogram that can predict the preoperative lymph node(LN)status in EC patients.METHODS A total of 32 EC patients confirmed by clinical pathology(who underwent surgical treatment)were included.Real-time fluorescent quantitative reverse transcription-polymerase chain reaction was used to detect the expression of B7-H3 mRNA in EC tissue obtained during preoperative gastroscopy,and its correlation with LNM was analyzed.Radiomics features were extracted from multi-modal magnetic resonance imaging of EC using Pyradiomics in Python.Feature extraction,data dimensionality reduction,and feature selection were performed using XGBoost model and leave-one-out cross-validation.Multivariable logistic regression analysis was used to establish the prediction model,which included radiomics features,LN status from computed tomography(CT)reports,and B7-H3 mRNA expression,represented by a radiomics nomogram.Receiver operating characteristic area under the curve(AUC)and decision curve analysis(DCA)were used to evaluate the predictive performance and clinical application value of the model.RESULTS The relative expression of B7-H3 mRNA in EC patients with LNM was higher than in those without metastasis,and the difference was statistically significant(Plue in the receiver operating characteristic(ROC)curve was 0.718(95%CI:0.528-0.907),with a sensitivity of 0.733 and specificity of 0.706,indicating good diagnostic performance.The individualized clinical prediction nomogram included radiomics features,LN status from CT reports,and B7-H3 mRNA expression.The ROC curve demonstrated good diagnostic value,with an AUC value of 0.765(95%CI:0.598-0.931),sensitivity of 0.800,and specificity of 0.706.DCA indicated the practical value of the radiomics nomogram in clinical practice.CONCluSION This study developed a radiomics nomogram

关键词： Esophageal cancer Radiomics B7-H3mRNA Multimodal magnetic resonance imaging Lymph node metastasis Nomogram

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An artificial-neural-network-based surrogate modeling workflow for reactive transport modeling

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Petroleum Research 2022年第1期7卷 13-20页

作者： Yupeng Li peng lu Guoyin Zhang Beijing Research Center of EXPEC Advanced Research Center Aramco AsiaBeijingChina EXPEC Advanced Research Center Saudi AramcoDhahranSaudi Arabia China University of Petroleum QingdaoChina

Process-based reactive transport modeling(RTM)integrates thermodynamic and kinetically controlled fluid-rock interactions with fluid flow through porous media in the subsurface and surface environment.RTM is usually conducted through numerical programs based on the first principle of physical processes.However,the calculation for complex chemical reactions in most available programs is an iterative process,where each iteration is in general computationally intensive.A workflow of neural networkbased surrogate model as a proxy for process-based reactive transport simulation is established in this study.The workflow includes(1)base case RTM design,(2)development of training experiments,(3)surrogate model construction based on machine learning,(4)surrogate model validation,and(5)prediction with the calibrated model.The training experiments for surrogate modeling are generated and run prior to the predictions using RTM.The results show that the predictions from the surrogate model agree well with those from processes-based RTM but with a significantly reduced computational time.The well-trained surrogate model is especially useful when a large number of realizations are required,such as the sensitivity analysis or model calibration,which can significantly reduce the computational time compared to that required by RTM.The benefits are(1)it automatizes the experimental design during the sensitivity analysis to get sufficient numbers and coverage of the training cases;(2)it parallelizes the calculations of RTM training cases during the sensitivity analysis to reduce the simulation time;(3)it uses the neural network algorithm to rank the sensitivity of the parameters and to search the optimal solution for model calibration.

关键词： Reactive transport modeling Surrogate model Machine learning Dolomitization Carbonate reservoir

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Simulating rise and fall cycles of Vietnam empires

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Fundamental Research 2023年第3期3卷 442-458页

作者： peng lu Dianhan Chen Bo Li Department of Sociology Central South UniversityChangsha 410083China Department of Artificial Intelligence Central South UniversityChangsha 410083China PKU-Wuhan Institute for Artificial Intelligence Wuhan 100080China School of Economics Peking UniversityBeijing 100871China Institute for Artificial Intelligence Peking UniversityBeijing 100871China

The life cycle pattern of empires is pervasive worldwide,and this is caused by multiple factors.In the history of Vietnam,there are totally about ten empires or dynasties,which have aggregately lasted for more than one thousand years.Here,we apply the life cycle model and agent-based modeling to uncover the underlying mechanisms of the life cycle pattern for Vietnam empires.Macroscopically,the man-land relationship greatly shapes the life cycle pattern of traditional agricultural empires.The balancing process between land and population is critical for the empires.The relationship between incomes and costs has determined the actions or strategies of the social members or individuals.It suggests that our optimal solutions and simulations have perfectly matched the real history of Vietnam.Under three optimal solutions,the distributions of simulated and real empire durations in history can be well-matched,in terms of both discrete(histogram)and continuous forms(kernel density).It indicates that the history of human society is a dynamic process,which is determined by certain evolutionary rules and regulations.Therefore,we are able to back-calculate,simulate,and even predict the future of empires or countries.

关键词： Life cycle model Rise and fall Vietnam Empires Agent-based model

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History dynamics of unified empire in China(770 BC to 476 BC)

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CAAI Transactions on Intelligence Technology 2023年第3期8卷 880-892页

作者： peng lu Mengdi Li Jiawen lu Zhuo Zhang Department of Sociology Central South UniversityChangshaChina School of Automation Central South UniversityChangshaChina Social System Center Beijing Institute for General Artificial IntelligenceBeijingChina Depart of Economics Graduate School of Arts&SciencesColumbia UniversityNew YorkNew YorkUSA

The laws and regulations in human history can be revealed by computational models.From 221 before Christ(BC)to 1912 Anno Domini(AD),the unification pattern has dominated the main part of Chinese history for 2132 years.Before the emergence of the first unified empire,the Qin Empire in 221 BC,there existed the Eastern Zhou dynasty(770 BC to 221 BC).This long dynasty has two stages,and here we focus on the first stage.This Spring-Autumn stage was from 770 BC(with 148 states)to 476 BC(with 32 states).The whole country(China)is modelled as a multi‐agent system,which contains multiple local states.They behave autonomously under certain action rules(wars and conflicts),which forms the main reason for the annexations and disappearance of most states.Key factors(power,loyalty,bellicosity and alliance)have been considered in our model settings,and simulation outcomes will be monitored and collected.Eventually,an optimal solution is obtained,which well unveils the internal mechanism and statistical features of real big history.Furthermore,counterfactuals are used to explore the non‐linear effects of the key factors,which deepens the authors’understanding of civilisa-tion evolutions in human history.

关键词： civilization dynamics empire dynamics the great unity

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Salvianolic acid B dry powder inhaler for the treatment of idiopathic pulmonary fibrosis

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Asian Journal of Pharmaceutical Sciences 2022年第3期17卷 447-461页

作者： peng lu Jiawei Li Chuanxin Liu Jian Yang Hui peng Zhifeng Xue Zhidong Liu State Key Laboratory of Component-Based Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjin 301617China Engineering Research Center of Modern Chinese Medicine Discovery and Preparation Technique Ministry of EducationTianjin 301617China Haihe Laboratory of Modern Chinese Medicine Tianjin 301617China College of Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjin 301617China Department of Pharmacy Suzhou TCM Hospital Affiliated to Nanjing University of Chinese MedicineSuzhouJiangsu 215009China Endocrine and Metabolic Disease Center The First Affiliated Hospitaland College of Clinical Medicine of Henan University of Science and TechnologyMedical Key Laboratory of Hereditary Rare Diseases of HenanLuoyang Sub-center of National Clinical Research Center for Metabolic DiseasesLuoyangHenan 471003China.

Idiopathic pulmonary fibrosis(IPF)is a serious and fatal pulmonary inflammatory disease with an increasing incidenceworldwide.The drugs nintedanib and pirfenidone,are listed as conditionally recommended drugs in the“Evidence-Based Guidelines for the Diagnosis and Treatment of Idiopathic Pulmonary Fibrosis”.However,these two drugs have many adverse reactions in clinical application.Salvianolic acid B(Sal B),a water-soluble component of Salvia miltiorrhiza,could alleviate bleomycin-induced peroxidative stress damage,and prevent or delay the onset of IPF by regulating inflammatory factors and fibrotic cytokines during the disease’s progression.However,Sal B is poorly absorbed orally,and patient compliance is poor when administered intravenously.Therefore,there is an urgent need to find a new non-injection route of drug delivery.In this study,Sal B was used as model drug and l-leucine(LL)as excipient to prepare Sal B dry powder inhaler(Sal B-DPI)by spray drying method.Modern preparation evaluation methods were used to assess the quality of Sal B-DPI.Sal B-DPI is promising for the treatment of IPF,according to studies on pulmonary irritation evaluation,in vivo and in vitro pharmacodynamics,metabolomics,pharmacokinetics,and lung tissue distribution.

关键词： Salvianolic acid B Dry powder inhaler Idiopathic pulmonary fibrosis Pulmonary administration

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