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Molecule-based kinetic modeling by Monte Carlo methods for heavy petroleum conversion

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Science China Chemistry 2013年第11期56卷 1608-1622页

作者： de OLIVEIRA Luís Pereira VERSTRAETE j.n j. KOLB max IFP Energies nouvelles Rond-point de l'échangeur de Solaize-BP 369360 SolaizeFrance Laboratoire de Chimie cole Normale Supérieure69364 Lyon Cedex 07France

A methodology for kinetic modeling of conversion processes is *** proposed approach allows to overcome the lack of molecular detail of the petroleum fractions and to simulate the reactions of the process by means of a two-step *** the first step,a synthetic mixture of molecules representing the feedstock is generated via a molecular reconstruction method,termed SR-REM molecular *** the second step,a kinetic Monte Carlo method,termed stochastic simulation algorithm(SSA),is used to simulate the effect of the conversion reactions on the mixture of *** resulting methodology is applied to the Athabasca vacuum residue *** adequate molecular representation of the vacuum residue is obtained using the SR-REM *** reaction simulations present a good agreement with the laboratory data for Athabasca vacuum residue *** addition,the proposed methodology provides the molecular detail of the vacuum residue conversion throughout the reactions simulations.

关键词： Monte-Carlo molecular reconstruction kinetic modeling stochastic simulation algorithm vacuum residue hydrocracking

Economic and Environmental Performance of Biowaste-to-energy Technologies for Small-scale Electricity Generation

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j.urnal of Modern Power Systems and Clean Energy 2022年第1期10卷 12-18页

作者： max j.A.Romero Rivas Davide Capuano Claudio Miranda Graded S.p.A. NapoliNA 80141Italy

Electricity is predicted to be the energy vector that will undergo maj.r changes in the future,and a transition would be observed in the resources such as waste and residual biomass that we use to satisfy the energy ***,this study aims to highlight the main economic and environmental performances of different biowaste-to-energy technologies for small-scale electricity generation by comparing the direct combustion of refined vegetable oil obtained from waste cooking oils(thermal pathway),anaerobic digestion of biowaste(biochemical pathway),and gasification of wood residues(thermochemical pathway).The economic analysis is mainly based on personal experiences in the energy sector and shows an overview of the performance in investment of combined heat and power(CHP)systems,ranging from 100 to 500 kW for a period of 20 *** environmental assessment is conducted considering the life-cycle thinking approach using support from the openLCA software,product environmental footprint(PEF)database,and previous studies that have reported environmental inventory data from real industrial cases.

关键词： Biowaste-to-energy small-scale generation economic assessment environmental assessment

Shell biorefinery: A comprehensive introduction

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Green Energy & Environment 2018年第4期3卷 318-327页

作者： max j.Hlsey Department of Chemical and Biomolecular Engineering National University of Singapore

Biomass refinery is considered to be a key technology in the 21 st century due to the importance of the sustainable production of various bioderived fuels and fine chemicals. Besides the synthesis of oxygen-containing chemicals mainly from lignocellulosic biomass, nitrogencontaining chemicals belong to some of the most important commodity and fine chemicals. In this introductory short review, the main similarities and difficulties between petroleum oil-and biorefinery will be discussed and future challenges will be highlighted. As a particular example, recent developments in the shell biorefinery – the utilization of shell waste – will be reviewed. Particular emphasis will be placed on the structure of shell biomass, the current and emerging fractionation methods and the conversion of chitin and chitosan to various heteroatomcontaining chemicals. This review is meant to provide an introduction to beginners in the field of biorefinery as well as a comprehensive discussion of recent proceedings in the field of shell biorefinery. An outlook on the future potential and challenges will be given.

关键词： Shell biorefinery

孔隙水与凝胶体的微纳物理反应——SLGS模型（英文）

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硅酸盐学报 2015年第10期43卷 1341-1358页

作者： max j.SETZER WISSBAU~ Consultants Bureau 82152 KraillingGermany Emeritus IBPMUniversity of Duisburg-EssenGermany

介绍了一种新的水泥水化产物的固相-液相-凝胶体系模型。之前描述水泥水化产物的固相-液相-凝胶体系主要考虑不同环境下特别是在干燥和寒冷环境下毛细孔水和固相-凝胶结构的不同。该新模型验证了Feldman-Sereda质量变化和收缩模型以及... 详细信息

介绍了一种新的水泥水化产物的固相-液相-凝胶体系模型。之前描述水泥水化产物的固相-液相-凝胶体系主要考虑不同环境下特别是在干燥和寒冷环境下毛细孔水和固相-凝胶结构的不同。该新模型验证了Feldman-Sereda质量变化和收缩模型以及表面能与水化形变慕尼黑模型。但是,该模型的解释与之前的模型完全不同,因为该模型考虑了凝胶颗粒在硬化水泥体系中的膨胀。该差异可以用表面物理的理论来解释。研究结果是基于小的硬化水泥石试样上进行的高精度重力吸附测量,同时结合氦流比重计测定的密度、溶解热、以及等温长度变化(收缩)等实验。试验显示,如果基于给定的相对湿度条件下的质量变化,以及表面相互作用能,而不是基于相对湿度,各实验所得结果有较为密切的关系。质量变化与在不同的水蒸气分压区间存在的毛细孔水分的类型有关。根据不同的凝胶固相与毛细孔水分的相互作用可以分为两个不同的区域:其一为凝结区,主要为凝结的凝胶内毛细孔水。该水主要由表面的相互作用所控制,其密度根据水泥种类不同大概为1.15g/cm^3至1.25g/cm^3。这种水的溶解热比体相水低大约30%,它的损失是表面作用而引起的收缩。根据质量(固体+留存的吸附水)定义该区域的边界,该质量达到了明确定义的在从潮湿或密闭养护的新生态第一次脱附期间相对湿度为22%的能量级别。

关键词：凝胶-孔隙-水的相互作用微纳物理学收缩冻结作用环境影响

Ultra-sensitive bioanalysis of the therapeutic peptide exenatide for accurate pharmacokinetic analyses at effective plasma concentrations utilizing UPLC-MS/MS

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j.urnal of Pharmaceutical Analysis 2020年第3期10卷 233-239页

作者： max Sauter Philipp Uhl j.rgen Burhenne Walter E.Haefeli Department of Clinical Pharmacology and Pharmacoepidemiology Heidelberg University HospitalIm Neuenheimer Feld 41069120HeidelbergGermany

Exenatide is the first approved glucagon-like peptide 1 receptor agonist subcutaneously or intramuscularly inj.cted for the treatment of type 2 diabetes *** therapeutic plasma concentrations are in the low pg/mL range,therefore requiring ultra-sensitive *** enable the accurate evaluation of pharmacokinetic studies,we established a UPLC-MS/MS assay with a lower limit of quantification(LLOQ)of 5 pg/mL(1.2 pM)using 200μL of plasma,validated acco rding to FDA's and EMA's pertinent *** was isolated from plasma with solid phase extraction utilizing anionexchange *** was performed with positive electrospray ionization tandem mass spectrometry in the selected reaction monitoring *** calibrated concentration range of 5-10,000 pg/mL was linear showing co rrelation coefficients>*** and intraday accuracy ranged from 97.5%to 105.4%with corre sponding precision of<10.9%.Accuracy at the LLOQ ranged from 93.0%to 102.5%with corresponding precision of<15.9%.Because of the validity of a 10-fold dilution QC(accuracy 111.2%),the assay is suitable for exenatide quantification up to 100,000 pg/*** ultra-sensitive assay's applicability was demonstrated by the quantification of exenatide plasma concentrations and pharmacokinetics after intravenous and nasal administration to beagle dogs.

关键词： Exenatide Nasal Intravenous UPLC Tandem mass spectrometry Pharmacokinetics

Small extrachromosomal circular DNA in amyotrophic lateral sclerosis matter

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Neural Regeneration Research 2025年第5期20卷 1411-1413页

作者： Marcos j.Arauzo-Bravo Daniela Gerovska Matthias Schwab Alexandra Kretz Computational Biology and Systems Biomedicine Biodonostia Health Research InstituteSan SebastianSpain Basque Foundation for Science IKERBASQUEBilbaoSpainMax Planck Institute for Molecular BiomedicineComputational Biology and Bioinformatics GroupMünsterNorth Rhine-WestphaliaGermany Department of Cell Biology and Histology Faculty of Medicine and NursingUniversity of Basque Country(UPV/EHU)LeioaSpain Department of Neurology Jena University HospitalJenaThuringiaGermany

Comprehensive studies identify motor neuron spectrum disorders including amyotrophic lateral sclerosis(ALS)as globally rising fatal disorders with the highest prevalence in aging populations,influenced by ethnicity and ancestry(GBD 2016 Motor Neuron Disease Colla borators,2018).While~10% of diagnoses involve a family history(fALS),most cases are considered sporadic(sALS).However,population-based studies suggest that even cases without a common index mutation impart heritability(Ryan et al.,2019),indicating a crucial role of rare and as yet unknown genetic denominators.

关键词： amyotrophic sclerosis

Predicting EHL film thickness parameters by machine learning approaches

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Friction 2023年第6期11卷 992-1013页

作者： max MARIAN j.nas MURSAK Marcel BARTZ Francisco j.PROFITO Andreas ROSENKRANZ Sandro WARTZACK Department of Mechanical and Metallurgical Engineering School of EngineeringPontificia Universidad Católica de ChileSantiago6904411Chile Engineering Design Friedrich-Alexander-University Erlangen-Nuremberg(FAU)Erlangen91058Germany Department of Mechanical Engineering Polytechnic School of the University of São PauloSão Paulo05508-030Brazil Department of Chemical Engineering Biotechnology and Materials(DIQBM)FCFMUniversidad de ChileSantiago8370456Chile

Non-dimensional similarity groups and analytically solvable proximity equations can be used to estimate integral fluid film parameters of elastohydrodynamically lubricated(EHL)*** this contribution,we demonstrate that machine learning(ML)and artificial intelligence(AI)approaches(support vector machines,Gaussian process regressions,and artificial neural networks)can predict relevant film parameters more efficiently and with higher accuracy and flexibility compared to sophisticated EHL simulations and analytically solvable proximity equations,*** this purpose,we use data from EHL simulations based upon the full-system finite element(FE)solution and a Latin hypercube *** verify that the original input data are required to train ML approaches to achieve coefficients of determination above *** is revealed that the architecture of artificial neural networks(neurons per layer and number of hidden layers)and activation functions influence the prediction *** impact of the number of training data is exemplified,and recommendations for a minimum database size are *** ultimately demonstrate that artificial neural networks can predict the locally-resolved film thickness values over the contact domain 25-times faster than FE-based EHL simulations(R^(2) values above 0.999).We assume that this will boost the use of ML approaches to predict EHL parameters and traction losses in multibody system dynamics simulations.

关键词： machine learning elastohydrodynamic lubrication film thickness support vector machine Gaussian process regression artificial neural network

Will the traditional horticultural breeding and genetics research be fairly valued in academia?

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Horticulture Research 2015年第1期2卷 71-72页

作者： Zong-Ming(max)Cheng Dennis j.Werner Horticulture Research The Laboratory of Fruit Crop Systems Biology College of HorticultureNanjing Agricultural UniversityNanjing210095Jiangsu ProvinceThe People's Republic of China Department of Plant Sciences University of TennesseeKnoxville37996TNUSA Department of Horticultural Science North Carolina State UniversityBox 7609Raleigh27695-7609NCUSA

I wrote the inaugural Editorial when Horticulture Research was launched in j.nuary *** second Editorial was trigged by the manuscript that was submitted to Horticulture Research(HORTRES.2015.49,***/articles/hortres201... 详细信息

关键词： breeding culture submitted

Vibration-controlled Transient Elastography for Assessment of Liver Fibrosis at a USA Academic Medical Center

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j.urnal of Clinical and Translational Hepatology 2022年第2期10卷 197-206页

作者： max Shen Anna Lee j.y H.Lefkowitch Howard j.Worman Department of Medicine Vagelos College of Physicians and SurgeonsColumbia UniversityNew YorkNYUSA Department of Pathology and Cell Biology Vagelos College of Physicians and SurgeonsColumbia UniversityNew YorkNYUSA

Background and Aims:Vibration-controlled transient elastography(VCTE)is a noninvasive tool that uses liver stiffness measurement(LSM)to assess *** real-life data during everyday clinical practice in the USA are lacking,we describe the patterns of use and diagnostic performance of VCTE in patients at an academic medical center in New York ***:Patients who received VCTE scans were included if liver biopsy was performed within 1 *** performance of VCTE in differentiating dichotomized fibrosis stages was assessed via area under the receiver operating characteristics(AUROC).Fibrosis stage determined from VCTE LSM was compared to liver ***:Of 109 patients,49 had nonalcoholic fatty liver disease,16 chronic hepatitis C,15 congestive hepatopathy,and 22 at least two *** was 0.90 for differentiating cirrhosis(stage 4)with a positive predictive value(PPV)range of 0.28 to 0.45 and negative predictive value range of 0.96 to *** 31(32%)patients,VCTE fibrosis stage was at least two stages higher than liver biopsy fibrosis *** of thirty-five pa-tients considered to have cirrhosis by VCTE had stage 0 to 2 and 12 stage 3 fibrosis on liver ***:VCTE has reasonable diagnostic accuracy and is reliable at ruling out ***,because of its low PPV,caution must be exercised when used to diagnose cirrhosis,as misdiagnosis can lead to unnecessary health care *** routine practice,VTCE is also sometimes performed for disease etiologies for which it has not been robustly validated.

关键词： Chronic liver disease Cirrhosis Hepatitis Liver histopathology Nonalcoholic fatty liver disease