Accurate determination of lung cancer margins at the molecular level is of great significance to determine the optimal extent of resection during surgical operation and reduce the risk of postoperative recurrence.In t...Accurate determination of lung cancer margins at the molecular level is of great significance to determine the optimal extent of resection during surgical operation and reduce the risk of postoperative recurrence.In this study,internal extractive electrospray ionization mass spectrometry(i EESI-MS)was used to trace potential molecular tumor margins in lung cancer tissue.Molecular differential model for the determination of lung cancer tumor margin was established via partial least-squares discriminant analysis(PLS-DA)of iEESI-MS data collected from lung tissue pieces within cancer tumor area and iEESI-MS data collected from lung tissue pieces outside cancer tumor area.Proof-of-concept data demonstrate that the developed molecular differential model yields ca.1-2 mm wider potential molecular tumor margin of a lung cancer compared to the conventional histological analysis,showing promising potential of iEESI-MS to increase the accuracy of tumor margins determination and lower risk of lung cancer postoperative recurrence.Furthermore,our results revealed that creatine and taurine showed positive correlations with lung cancer.展开更多
Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attentio...Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attention.However,detecting selenium compounds in complex samples remains a challenge.In this work,we built an online heating-reaction device.This device combines the electrospray extraction ionization mass spectrometry(EESI-MS)with the heating reaction device,which can simultaneously detect various selenium compounds in complex liquid samples.Under acidic conditions,the sample was heated and catalyzed by a heating reaction device,so that the SeO~(2-)_(3)and O-phenylenediamine(OPD)could generate 1,3-dihydro-2,1,3-benzoselenadiazole.Based on the above reactions,we can detect organic selenium,inorganic selenium and other compounds in liquid samples by organic mass spectrometry.In this experiment,we determined the content of three forms of selenium:selenomethionine(SeMet),l-selenocystine(SeCys(2)),and sodium selenite.The calibration curves for SeMet,SeCys(2),and sodium selenite showed strong linearity within a range of 0.50-50.00μg/L.The limits of detection(LOD)for the three compounds were 0.22,0.27,and 0.41μg/L,respectively.The limits of quantification(LOQ)were 0.68,0.81,and 1.23μg/L,respectively.Spiked recoveries at three levels ranged from 98.8%to 106.1%.In addition,this method can simultaneously detect three selenium compounds and three other specific chemical components in tea infusion samples,providing a rapid and efficient method for identifying tea quality.展开更多
Innovating distillation technology to improve the efficiency of distillation equipment,reduce energy consumption,and increase product purity is an important challenge for the rapid development of the distillation indu...Innovating distillation technology to improve the efficiency of distillation equipment,reduce energy consumption,and increase product purity is an important challenge for the rapid development of the distillation industry.In this paper,steady-state simulations are developed for the separated isopropanol and water systems,and the sensitive temperature stage locations are determined using sensitivity and singular value decomposition(SVD).An open-loop steady-state gain analysis of the isopropanol/water system was performed,and a series of dynamic control schemes were designed and optimized to resist±10% feed flow disturbances and ±5% feed composition disturbances,comparing the performance of the control schemes one by one through IAE error analysis.The results show that the side-stream extractive distillation separation of isopropanol and water system using a single temperature fixed reflux ratio control loop suffers from a large product shift problem.One of the key control loops is to control the isopropanol purity by controlling the bottom of the column flow rate,and the scheme performs well under both single-temperature control and dual-temperature control,effectively resisting ±10% feed flow disturbances and ±5% feed composition disturbances.The improvement of product purity can be seen from the compone nt controllers play an important role,while the feed-fo rward effect under certain conditions can also enable the system to quickly restore stability and improve the system response speed.展开更多
Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs...Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs)were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization.The single-extraction efficiency of PPILs reached 75.0%for dibenzothiophene.Moreover,adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2%to 37.3%,37.9%,and 33.5%),indicating the excellent extraction selectivity of PPILs.The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol^(-1)),and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs throughπ...π,C-H...πand hydrogen bonds interactions.Furthermore,this straightforward synthetic strategy can be employed in preparing porous liquids,offering new possibilities for synthesizing PPILs with tailored functionalities.展开更多
In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shi...In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shielding model and relative volatility method,ethylene glycol was selected as the extractant in the separation process.In addition,in view of the characteristic that the relative volatility between components changes with pressure,the multi-objective optimization method based on nondominated sorting genetic algorithm II optimizes the pressure and the amount of solvent cooperatively to avoid falling into the optimal local solution.Based on the optimal process parameters,the proposed heat-integrated process can reduce the gas emissions by 29.30%.The heat-integrated ED,further coupled with the pervaporation process,can reduce gas emission by 42.36%and has the highest exergy efficiency of 47.56%.In addition,based on the heat-integrated process,the proposed two heat pump assisted heat-integrated ED processes show good economic and environmental performance.The double heat pump assisted heat-integrated ED can reduce the total annual cost by 28.78%and the gas emissions by 55.83%compared with the basis process,which has a good application prospect.This work provides a feasible approach for the separation of ternary azeotropes.展开更多
The isolated hydrophilic black alder(Alnus glutinosa)bark extractives were characterized in terms of component and functional composition and converted at 150℃-170℃ into liquid green polyols using solvent-free and l...The isolated hydrophilic black alder(Alnus glutinosa)bark extractives were characterized in terms of component and functional composition and converted at 150℃-170℃ into liquid green polyols using solvent-free and lowtoxic base-catalyzed modification with propylene carbonate(PC).FTIR spectroscopy,HP-LC,GC,GPC,and wet chemistry methods were used to characterize the starting constituents,intermediate and final products of the reaction and to monitor the different pathways of PC conversion.The reaction of extractives as well as the model compounds,including catechol,xylose,PEG 400,and benzoic acid,with PC indicated the ability of OH groups of different origins present in the extractives to condense with equivalent amounts of PC.The polyols obtained consist of a copolymer fraction with one oxypropyl unit grafted per OH functionality of extractive components on average and oligo oxypropyl diols with a small number of carbonate linkages in the chain,obtained as a result of remaining PC homopolymerization.The domination of the oxypropylation mechanism vs.transcarbonation for PC ring opening was observed for both copolymerization and homopolymerization processes,making the process of oxypropylation with PC similar to that of conventional oxypropylation.At optimal reaction conditions,including a PC/OH ratio of 3.0 and a 24-h duration at 150°C,uniform polyols with low viscosity of~900 mPa·s^(-1),a biomass content of~27%,and an OHV of~500 mg KOH·g^(-1) were obtained.Increasing the temperature of modification allows shortening the process but drastically increases the polyol viscosity.At fixed temperature values,increasing the PC/OH ratio not only decreases the biomass content but also strongly prolongs the processing.The significantly increased duration of the process using PC as an alternative oxyalkylation agent compared to that of oxyalkylation with propylene oxide is a reasonable trade-off for using a safer and more environmentally friendly technology.展开更多
Text representation is a key aspect in determining the success of various text summarizing techniques.Summarization using pretrained transformer models has produced encouraging results.Yet the scope of applying these ...Text representation is a key aspect in determining the success of various text summarizing techniques.Summarization using pretrained transformer models has produced encouraging results.Yet the scope of applying these models in medical and drug discovery is not examined to a proper extent.To address this issue,this article aims to perform extractive summarization based on fine-tuned transformers pertaining to drug and medical domain.This research also aims to enhance sentence representation.Exploring the extractive text summarization aspects of medical and drug discovery is a challenging task as the datasets are limited.Hence,this research concentrates on the collection of abstracts collected from PubMed for various domains of medical and drug discovery such as drug and COVID,with a total capacity of 1,370 abstracts.A detailed experimentation using BART(Bidirectional Autoregressive Transformer),T5(Text-to-Text Transfer Transformer),LexRank,and TexRank for the analysis of the dataset is carried out in this research to perform extractive text summarization.展开更多
Retrieving information from evolving digital data collection using a user’s query is always essential and needs efficient retrieval mechanisms that help reduce the required time from such massive collections.Large-sc...Retrieving information from evolving digital data collection using a user’s query is always essential and needs efficient retrieval mechanisms that help reduce the required time from such massive collections.Large-scale time consumption is certain to scan and analyze to retrieve the most relevant textual data item from all the documents required a sophisticated technique for a query against the document collection.It is always challenging to retrieve a more accurate and fast retrieval from a large collection.Text summarization is a dominant research field in information retrieval and text processing to locate the most appropriate data object as single or multiple documents from the collection.Machine learning and knowledge-based techniques are the two query-based extractive text summarization techniques in Natural Language Processing(NLP)which can be used for precise retrieval and are considered to be the best option.NLP uses machine learning approaches for both supervised and unsupervised learning for calculating probabilistic features.The study aims to propose a hybrid approach for query-based extractive text summarization in the research study.Text-Rank Algorithm is used as a core algorithm for the flow of an implementation of the approach to gain the required goals.Query-based text summarization of multiple documents using a hybrid approach,combining the K-Means clustering technique with Latent Dirichlet Allocation(LDA)as topic modeling technique produces 0.288,0.631,and 0.328 for precision,recall,and F-score,respectively.The results show that the proposed hybrid approach performs better than the graph-based independent approach and the sentences and word frequency-based approach.展开更多
[Objective]The aim was to explore the active compound of Morus alba leaves with the analysis of active components of hexane extractives of M.alba leaves.[Method]Antibacterial assays of hexane extractives of M.alba lea...[Objective]The aim was to explore the active compound of Morus alba leaves with the analysis of active components of hexane extractives of M.alba leaves.[Method]Antibacterial assays of hexane extractives of M.alba leaves were done and the volatile components of hexane extractives of M.alba leaves with the strongest antibacterial activity were analyzed by gas chromatography-mass spectrometry（GC-MS）.[Result]The results of inhibitory effect of hexane extractives of M.alba leaves on Staphylococcus aureus and Escherichia coli showed that hexane extractives of M.alba leaves collected in June,July and August had antibacterial activity against S.aureus and had no antibacterial effect against E.coli.Furthermore,hexane extractives of M.alba leaves collected in June had the strongest antibacterial activity against S.aureus（inhibition diameter 10.95 mm）.The hexane extractives of M.alba leaves collected in June was analyzed by GC-MS,the main volatile components were tetradecane（16.76%）,dodecane（13.20%）,diisobutyl phthalate（10.26%）,decane（9.10%）,hexadecane（8.71%）,linolenyl alcohol（7.25%）,octadecane（5.88%）,eicosane（3.26%）,dibutyl phthalate（2.59%）.[Conclusion]Linolenyl alcohol was the potential antibacterial compound.展开更多
Batch extractive distillation was studied in a column with amiddle vessel. The process was simulated by a constant holdup modeland solved by two point implicit method. Acetone and methanol mixturewas separated in such...Batch extractive distillation was studied in a column with amiddle vessel. The process was simulated by a constant holdup modeland solved by two point implicit method. Acetone and methanol mixturewas separated in such a setup using water as solvent. The simulationagrees well with experimental results. The experimental andsimulation results show that the solvent at the bottom and theproduct at the top of the column can be withdrawn simulataneously fora long period of time. It needs more time for the solvent to reachhigh purity than that required for the more volatile component toreach high purity, so that the time to withdraw solvent from thebottom is delayed.展开更多
Extractive distillation(ED) is one of the most promising approaches for the separation of the azeotropic or closeboiling mixtures in the chemical industry. The purpose of this paper is to provide a broad overview of t...Extractive distillation(ED) is one of the most promising approaches for the separation of the azeotropic or closeboiling mixtures in the chemical industry. The purpose of this paper is to provide a broad overview of the recent development of key aspects in the ED process involving conceptual design, solvent selection, and separation strategies. To obtain the minimum entrainer feed flow rate and reflux ratio for the ED process, the conceptual design of azeotropic mixture separation based on a topological analysis via thermodynamic feasibility insights involving residue curve maps, univolatility lines, and unidistribution curves is presented. The method is applicable to arbitrary multicomponent mixtures and allows direct screening of design alternatives. The determination of a suitable solvent is one of the key steps to ensure an effective and economical ED process. Candidate entrainers can be obtained from heuristics or literature studies while computer aided molecular design(CAMD) has superiority in efficiency and reliability. To achieve optimized extractive distillation systems, a brief review of evaluation method for both entrainer design and selection through CAMD is presented. Extractive distillation can be operated either in continuous extractive distillation(CED) or batch extractive distillation(BED), and both modes have been well-studied depending on the advantages in flexibility and low capital costs. To improve the energy efficiency, several configurations and technological alternatives can be used for both CED and BED depending on strategies and main azeotropic feeds. The challenge and chance of the further ED development involving screening the best potential solvents and exploring the energy-intensive separation strategies are discussed aiming at promoting the industrial application of this environmentally friendly separation technique.展开更多
Nowadays, extractive distillation is the main technique to produce 1,3-butadiene. This study simulated the 1,3-butadiene production process with DMF extractive distillation by Aspen Plus. The solvent ratio is the most...Nowadays, extractive distillation is the main technique to produce 1,3-butadiene. This study simulated the 1,3-butadiene production process with DMF extractive distillation by Aspen Plus. The solvent ratio is the most important parameter to the extractive distillation process. The article has given out the proper solvent ratios, reflux ratios, distillate ratios, and bottom product ratios of the columns. It also discusses the thermal loads of several columns. The results of simulation are consequently compared with the plant data, which shows good accordance with each other.展开更多
A new reactive and extractive distillation process with ionic liquids as entrainer and catalyst （RED-IL）was proposed to produce methanol and n-butyl acetate by transesterification reaction of methyl acetate with n-b...A new reactive and extractive distillation process with ionic liquids as entrainer and catalyst （RED-IL）was proposed to produce methanol and n-butyl acetate by transesterification reaction of methyl acetate with n-butanol. The RED-IL process was simulated via a rigorous model, and high purity products of methanol and n-butyl acetate can be obtained in such a process. The effects of reflux ratio, feed mode, holdup, feed location, entrainer ratio and catalyst concentration on RED-IL process were investigated. The conversion of methyl acetate and purities of products increase with the holdup in column, entrainer ratio and catalyst content. An optimal reflux ratio exists in RED-IL process. Comparing to the mixed-feed mode, the segregated-feed mode is more effective, in which the optimal feed locations of reactants exist.展开更多
A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UN...A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming(MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane([C_(16)MPip][C(CN)_3]) as the best entrainer for this separation.展开更多
A method to select solvent for extractive distillation is proposed by UNIFAC group contribution. Solventselectivity can be divided into two parts: the partial combinatorial solvent selectivity and the partial residual...A method to select solvent for extractive distillation is proposed by UNIFAC group contribution. Solventselectivity can be divided into two parts: the partial combinatorial solvent selectivity and the partial residual solventselectivity. The properties of partial combinatorial and residual solvent selectivity are demonstrated. In most cases,the partial residual solvent selectivity is predominant. The candidate groups of solvent can be selected by groupinteraction parameter using UNIFAC group interaction parameter table as a guide.展开更多
A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibr...A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibrium (VLE) data at 101.33 kPa for the binary or ternary systems consisting of water, acetic acid and tributylamine were measured. The activity coefficients were correlated by using Wilson, NRTL, and UNIQUAC Equations.The VLE experiment showed that tributylamine could enhance the relative volatility of water to acetic acid. An extractive distillation experiment was carried out and proved that tributylamine was a good extractive solvent.展开更多
The benzene and acetonitrile azeotropic mixture was proposed to be separated by extractive distillation using an ionic liquid(IL)as the entrainer.The suitable IL was selected by the COSMO-RS model,and 1-ethyl-3-methyl...The benzene and acetonitrile azeotropic mixture was proposed to be separated by extractive distillation using an ionic liquid(IL)as the entrainer.The suitable IL was selected by the COSMO-RS model,and 1-ethyl-3-methylimidazolium tetrafluoroborate([EMIM][BF_(4)])was considered as the suitable entrainer mainly due to its high selectivity,low viscosity,and low price.The experimental vapor pressure data of the IL-containing systems(benzene+[EMIM][BF_(4)]and acetonitrile+[EMIM][BF_(4)])were measured in the full concentration range.The results show that acetonitrile has a stronger interaction with IL than benzene,and the low deviations between the experimental and UNIFAC predicted values show the reliability of the UNFIAC model.The UNIFAC predicted vapor-liquid equilibrium data of the benzene+acetonitrile+dimethyl sulfoxide(DMSO)/[EMIM][BF_(4)]system show that the relative volatility of benzene to acetonitrile is higher when the entrainer is[EMIM][BF_(4)].The process simulation results show that[EMIM][BF_(4)]can reduce the material and energy consumptions compared with DMSO.展开更多
In order to separate methyl acetate and methanol azeotrope, the ionic liquid(IL) 1,3-dimethylimidazolium dimethylphosphate([DMIM]DMP) was used as the solvent. The Aspen Plus software was used to design and optimize th...In order to separate methyl acetate and methanol azeotrope, the ionic liquid(IL) 1,3-dimethylimidazolium dimethylphosphate([DMIM]DMP) was used as the solvent. The Aspen Plus software was used to design and optimize the extractive distillation process. Under the optimized conditions, the mass fractions of methyl acetate and methanol were both above 99.5%. Compared with the dimethyl sulfoxide(DMSO) process, the [DMIM]DMP process has the advantages of saving energy and lower equipment investment cost. The result shows that using [DMIM]DMP as the solvent to separate a methyl acetate and methanol azeotrope has better prospect in industrial application.展开更多
Ionic liquids(ILs)have shown excellent performance in the separation of binary azeotropes through extractive distillation[1].But the role of the ionic liquid in azeotropic system is not well understood.In this paper,C...Ionic liquids(ILs)have shown excellent performance in the separation of binary azeotropes through extractive distillation[1].But the role of the ionic liquid in azeotropic system is not well understood.In this paper,COSMO-RS model was applied to screen an appropriate IL to separate the binary azeotrope of ethyl acetate(EA)and ethanol and 1-octyl-3-methylimidazolium tetrafluoroborate([OMIM][BF4])was selected.The Quantum Mechanics(QM)calculations and molecular dynamics(MD)simulation are performed to study the interactions between the solvent molecules and[OMIM][BF4],in order to investigate the separation mechanism at the molecular level.The nature of the interactions is studied through the reduced density gradient(RDG)function and quantum theory of Atom in Molecule(QTAIM).Hydrogen bonds and van der Waals interactions are the key interactions in the complexes.The results of MD simulations indicate that the introduction of ILs has a prominent effect on the interaction between the solvent molecules,especially on reducing the number of hydrogen bonds among the solvent molecules.The radial distribution function(RDF)reveals that the interaction between the cation and solvent molecules will increase while the concentration of ILs increases.This paper provides important information for understanding the role of ILs in the separation of the azeotropic system,which is valuable to the development of new entrainers.展开更多
Upon extractive desulfurization of sulfur-rich oil obtained after recycling raffinate,the effects of single and compound extractants,temperature,and extractant/oil ratio on desulfurization rate,oil loss rate,extractan...Upon extractive desulfurization of sulfur-rich oil obtained after recycling raffinate,the effects of single and compound extractants,temperature,and extractant/oil ratio on desulfurization rate,oil loss rate,extractant loss rate,and selectivity coefficient were investigated.The results showed that the thiophene existing in the simulated sulfur-rich oil could be further removed by extraction.The single-stage desulfurization rates achieved by dimethyl sulfoxide(DMSO)and sulfolane(SF)were 53.51%and 47.36%,respectively,while the selectivity coefficient of SF was 1.13,which was higher than that of DMSO(with a selectivity coefficient of 1.04).For the compound extractant,a single-stage desulfurization rate of 49.59%and a selectivity coefficient of 1.40 were obtained by using DMSO+10%MEA as the extractant,which was higher than that of SF.Upon using 50%SF+50%DMSO as the extractant,the single-stage desulfurization rate reached 50.92%with a selectivity coefficient of 1.32.Based on the comprehensive consideration,the DMSO+10%MEA extractant was selected as the best extractant for treating the sulfur-rich oil.展开更多
基金supported by Jiangxi Provincial International Science and Technology Cooperation Project(Nos.20203BDH80W010 and 20232BBH80012)the National Natural Science Foundation of China(Nos.82160410 and 81860379)+1 种基金Foundation of Jiangxi Provincial Department of Science and Technology(No.20212ACB206018)Key Research and Development Program of Jiangxi Province(No.20223BBG71009)。
文摘Accurate determination of lung cancer margins at the molecular level is of great significance to determine the optimal extent of resection during surgical operation and reduce the risk of postoperative recurrence.In this study,internal extractive electrospray ionization mass spectrometry(i EESI-MS)was used to trace potential molecular tumor margins in lung cancer tissue.Molecular differential model for the determination of lung cancer tumor margin was established via partial least-squares discriminant analysis(PLS-DA)of iEESI-MS data collected from lung tissue pieces within cancer tumor area and iEESI-MS data collected from lung tissue pieces outside cancer tumor area.Proof-of-concept data demonstrate that the developed molecular differential model yields ca.1-2 mm wider potential molecular tumor margin of a lung cancer compared to the conventional histological analysis,showing promising potential of iEESI-MS to increase the accuracy of tumor margins determination and lower risk of lung cancer postoperative recurrence.Furthermore,our results revealed that creatine and taurine showed positive correlations with lung cancer.
基金financially supported by Jiangxi University of Chinese Medicine School-level Science and Technology Innovation Team Development Program(No.CXTD22005)PhD research startup fund of Jiangxi University of Chinese Medicine(No.2023BSZR005)。
文摘Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attention.However,detecting selenium compounds in complex samples remains a challenge.In this work,we built an online heating-reaction device.This device combines the electrospray extraction ionization mass spectrometry(EESI-MS)with the heating reaction device,which can simultaneously detect various selenium compounds in complex liquid samples.Under acidic conditions,the sample was heated and catalyzed by a heating reaction device,so that the SeO~(2-)_(3)and O-phenylenediamine(OPD)could generate 1,3-dihydro-2,1,3-benzoselenadiazole.Based on the above reactions,we can detect organic selenium,inorganic selenium and other compounds in liquid samples by organic mass spectrometry.In this experiment,we determined the content of three forms of selenium:selenomethionine(SeMet),l-selenocystine(SeCys(2)),and sodium selenite.The calibration curves for SeMet,SeCys(2),and sodium selenite showed strong linearity within a range of 0.50-50.00μg/L.The limits of detection(LOD)for the three compounds were 0.22,0.27,and 0.41μg/L,respectively.The limits of quantification(LOQ)were 0.68,0.81,and 1.23μg/L,respectively.Spiked recoveries at three levels ranged from 98.8%to 106.1%.In addition,this method can simultaneously detect three selenium compounds and three other specific chemical components in tea infusion samples,providing a rapid and efficient method for identifying tea quality.
基金the Key Research and Development Plan of Shandong Province (Major Scientific and Technological Innovation Project) (2021ZDSYS24)the Science Fund of Shandong Laboratory of Advanced Materials and Green Manufacturing (Yantai) (AMGM2023A09)the Open Project Program of Fujian Universities Engineering Research Center of Reactive Distillation Technology (RDRC202204), Fuzhou University。
文摘Innovating distillation technology to improve the efficiency of distillation equipment,reduce energy consumption,and increase product purity is an important challenge for the rapid development of the distillation industry.In this paper,steady-state simulations are developed for the separated isopropanol and water systems,and the sensitive temperature stage locations are determined using sensitivity and singular value decomposition(SVD).An open-loop steady-state gain analysis of the isopropanol/water system was performed,and a series of dynamic control schemes were designed and optimized to resist±10% feed flow disturbances and ±5% feed composition disturbances,comparing the performance of the control schemes one by one through IAE error analysis.The results show that the side-stream extractive distillation separation of isopropanol and water system using a single temperature fixed reflux ratio control loop suffers from a large product shift problem.One of the key control loops is to control the isopropanol purity by controlling the bottom of the column flow rate,and the scheme performs well under both single-temperature control and dual-temperature control,effectively resisting ±10% feed flow disturbances and ±5% feed composition disturbances.The improvement of product purity can be seen from the compone nt controllers play an important role,while the feed-fo rward effect under certain conditions can also enable the system to quickly restore stability and improve the system response speed.
基金financially supported by the National Natural Science Foundation of China (Nos.22078135,21808092,21978119,22202088)。
文摘Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs)were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization.The single-extraction efficiency of PPILs reached 75.0%for dibenzothiophene.Moreover,adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2%to 37.3%,37.9%,and 33.5%),indicating the excellent extraction selectivity of PPILs.The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol^(-1)),and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs throughπ...π,C-H...πand hydrogen bonds interactions.Furthermore,this straightforward synthetic strategy can be employed in preparing porous liquids,offering new possibilities for synthesizing PPILs with tailored functionalities.
基金supported by the National Natural Science Foundation of China(22178188).
文摘In this work,the ternary azeotrope of tert-butyl alcohol/ethyl acetate/water is separated by extractive distillation(ED)to recover the available constituents and protect the environment.Based on the conductor like shielding model and relative volatility method,ethylene glycol was selected as the extractant in the separation process.In addition,in view of the characteristic that the relative volatility between components changes with pressure,the multi-objective optimization method based on nondominated sorting genetic algorithm II optimizes the pressure and the amount of solvent cooperatively to avoid falling into the optimal local solution.Based on the optimal process parameters,the proposed heat-integrated process can reduce the gas emissions by 29.30%.The heat-integrated ED,further coupled with the pervaporation process,can reduce gas emission by 42.36%and has the highest exergy efficiency of 47.56%.In addition,based on the heat-integrated process,the proposed two heat pump assisted heat-integrated ED processes show good economic and environmental performance.The double heat pump assisted heat-integrated ED can reduce the total annual cost by 28.78%and the gas emissions by 55.83%compared with the basis process,which has a good application prospect.This work provides a feasible approach for the separation of ternary azeotropes.
基金financial support from the Latvian Council of Science,Project No.lzp-2021/1-0207.
文摘The isolated hydrophilic black alder(Alnus glutinosa)bark extractives were characterized in terms of component and functional composition and converted at 150℃-170℃ into liquid green polyols using solvent-free and lowtoxic base-catalyzed modification with propylene carbonate(PC).FTIR spectroscopy,HP-LC,GC,GPC,and wet chemistry methods were used to characterize the starting constituents,intermediate and final products of the reaction and to monitor the different pathways of PC conversion.The reaction of extractives as well as the model compounds,including catechol,xylose,PEG 400,and benzoic acid,with PC indicated the ability of OH groups of different origins present in the extractives to condense with equivalent amounts of PC.The polyols obtained consist of a copolymer fraction with one oxypropyl unit grafted per OH functionality of extractive components on average and oligo oxypropyl diols with a small number of carbonate linkages in the chain,obtained as a result of remaining PC homopolymerization.The domination of the oxypropylation mechanism vs.transcarbonation for PC ring opening was observed for both copolymerization and homopolymerization processes,making the process of oxypropylation with PC similar to that of conventional oxypropylation.At optimal reaction conditions,including a PC/OH ratio of 3.0 and a 24-h duration at 150°C,uniform polyols with low viscosity of~900 mPa·s^(-1),a biomass content of~27%,and an OHV of~500 mg KOH·g^(-1) were obtained.Increasing the temperature of modification allows shortening the process but drastically increases the polyol viscosity.At fixed temperature values,increasing the PC/OH ratio not only decreases the biomass content but also strongly prolongs the processing.The significantly increased duration of the process using PC as an alternative oxyalkylation agent compared to that of oxyalkylation with propylene oxide is a reasonable trade-off for using a safer and more environmentally friendly technology.
文摘Text representation is a key aspect in determining the success of various text summarizing techniques.Summarization using pretrained transformer models has produced encouraging results.Yet the scope of applying these models in medical and drug discovery is not examined to a proper extent.To address this issue,this article aims to perform extractive summarization based on fine-tuned transformers pertaining to drug and medical domain.This research also aims to enhance sentence representation.Exploring the extractive text summarization aspects of medical and drug discovery is a challenging task as the datasets are limited.Hence,this research concentrates on the collection of abstracts collected from PubMed for various domains of medical and drug discovery such as drug and COVID,with a total capacity of 1,370 abstracts.A detailed experimentation using BART(Bidirectional Autoregressive Transformer),T5(Text-to-Text Transfer Transformer),LexRank,and TexRank for the analysis of the dataset is carried out in this research to perform extractive text summarization.
文摘Retrieving information from evolving digital data collection using a user’s query is always essential and needs efficient retrieval mechanisms that help reduce the required time from such massive collections.Large-scale time consumption is certain to scan and analyze to retrieve the most relevant textual data item from all the documents required a sophisticated technique for a query against the document collection.It is always challenging to retrieve a more accurate and fast retrieval from a large collection.Text summarization is a dominant research field in information retrieval and text processing to locate the most appropriate data object as single or multiple documents from the collection.Machine learning and knowledge-based techniques are the two query-based extractive text summarization techniques in Natural Language Processing(NLP)which can be used for precise retrieval and are considered to be the best option.NLP uses machine learning approaches for both supervised and unsupervised learning for calculating probabilistic features.The study aims to propose a hybrid approach for query-based extractive text summarization in the research study.Text-Rank Algorithm is used as a core algorithm for the flow of an implementation of the approach to gain the required goals.Query-based text summarization of multiple documents using a hybrid approach,combining the K-Means clustering technique with Latent Dirichlet Allocation(LDA)as topic modeling technique produces 0.288,0.631,and 0.328 for precision,recall,and F-score,respectively.The results show that the proposed hybrid approach performs better than the graph-based independent approach and the sentences and word frequency-based approach.
基金Supported by the Forestry Department of Heilongjiang Province Science and Technology Promotion Project(01043208003)the Project of Science and Technology Department of Heilongjiang Province(LC07C27)~~
文摘[Objective]The aim was to explore the active compound of Morus alba leaves with the analysis of active components of hexane extractives of M.alba leaves.[Method]Antibacterial assays of hexane extractives of M.alba leaves were done and the volatile components of hexane extractives of M.alba leaves with the strongest antibacterial activity were analyzed by gas chromatography-mass spectrometry（GC-MS）.[Result]The results of inhibitory effect of hexane extractives of M.alba leaves on Staphylococcus aureus and Escherichia coli showed that hexane extractives of M.alba leaves collected in June,July and August had antibacterial activity against S.aureus and had no antibacterial effect against E.coli.Furthermore,hexane extractives of M.alba leaves collected in June had the strongest antibacterial activity against S.aureus（inhibition diameter 10.95 mm）.The hexane extractives of M.alba leaves collected in June was analyzed by GC-MS,the main volatile components were tetradecane（16.76%）,dodecane（13.20%）,diisobutyl phthalate（10.26%）,decane（9.10%）,hexadecane（8.71%）,linolenyl alcohol（7.25%）,octadecane（5.88%）,eicosane（3.26%）,dibutyl phthalate（2.59%）.[Conclusion]Linolenyl alcohol was the potential antibacterial compound.
文摘Batch extractive distillation was studied in a column with amiddle vessel. The process was simulated by a constant holdup modeland solved by two point implicit method. Acetone and methanol mixturewas separated in such a setup using water as solvent. The simulationagrees well with experimental results. The experimental andsimulation results show that the solvent at the bottom and theproduct at the top of the column can be withdrawn simulataneously fora long period of time. It needs more time for the solvent to reachhigh purity than that required for the more volatile component toreach high purity, so that the time to withdraw solvent from thebottom is delayed.
基金Supported by the National Natural Science Foundation of China(No.21878028,21606026)the Fundamental Research Funds for the Central Universities(No.106112017CDJQJ228809)+2 种基金Chongqing Technological Innovation and Application Demonstration for Social and Livelihood development(No.cstc2018jscx-msyb X0336)Chongqing Research Program of Basic Research and Frontier Technology(No.CSTC2016JCYJA0474)Hundred Talents Program of Chongqing University
文摘Extractive distillation(ED) is one of the most promising approaches for the separation of the azeotropic or closeboiling mixtures in the chemical industry. The purpose of this paper is to provide a broad overview of the recent development of key aspects in the ED process involving conceptual design, solvent selection, and separation strategies. To obtain the minimum entrainer feed flow rate and reflux ratio for the ED process, the conceptual design of azeotropic mixture separation based on a topological analysis via thermodynamic feasibility insights involving residue curve maps, univolatility lines, and unidistribution curves is presented. The method is applicable to arbitrary multicomponent mixtures and allows direct screening of design alternatives. The determination of a suitable solvent is one of the key steps to ensure an effective and economical ED process. Candidate entrainers can be obtained from heuristics or literature studies while computer aided molecular design(CAMD) has superiority in efficiency and reliability. To achieve optimized extractive distillation systems, a brief review of evaluation method for both entrainer design and selection through CAMD is presented. Extractive distillation can be operated either in continuous extractive distillation(CED) or batch extractive distillation(BED), and both modes have been well-studied depending on the advantages in flexibility and low capital costs. To improve the energy efficiency, several configurations and technological alternatives can be used for both CED and BED depending on strategies and main azeotropic feeds. The challenge and chance of the further ED development involving screening the best potential solvents and exploring the energy-intensive separation strategies are discussed aiming at promoting the industrial application of this environmentally friendly separation technique.
文摘Nowadays, extractive distillation is the main technique to produce 1,3-butadiene. This study simulated the 1,3-butadiene production process with DMF extractive distillation by Aspen Plus. The solvent ratio is the most important parameter to the extractive distillation process. The article has given out the proper solvent ratios, reflux ratios, distillate ratios, and bottom product ratios of the columns. It also discusses the thermal loads of several columns. The results of simulation are consequently compared with the plant data, which shows good accordance with each other.
基金Supported by the Innovation Fund of Tianjin University
文摘A new reactive and extractive distillation process with ionic liquids as entrainer and catalyst （RED-IL）was proposed to produce methanol and n-butyl acetate by transesterification reaction of methyl acetate with n-butanol. The RED-IL process was simulated via a rigorous model, and high purity products of methanol and n-butyl acetate can be obtained in such a process. The effects of reflux ratio, feed mode, holdup, feed location, entrainer ratio and catalyst concentration on RED-IL process were investigated. The conversion of methyl acetate and purities of products increase with the holdup in column, entrainer ratio and catalyst content. An optimal reflux ratio exists in RED-IL process. Comparing to the mixed-feed mode, the segregated-feed mode is more effective, in which the optimal feed locations of reactants exist.
基金financial support from National Natural Science Foundation of China(21776074,21576081,and21861132019)
文摘A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming(MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane([C_(16)MPip][C(CN)_3]) as the best entrainer for this separation.
文摘A method to select solvent for extractive distillation is proposed by UNIFAC group contribution. Solventselectivity can be divided into two parts: the partial combinatorial solvent selectivity and the partial residual solventselectivity. The properties of partial combinatorial and residual solvent selectivity are demonstrated. In most cases,the partial residual solvent selectivity is predominant. The candidate groups of solvent can be selected by groupinteraction parameter using UNIFAC group interaction parameter table as a guide.
文摘A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibrium (VLE) data at 101.33 kPa for the binary or ternary systems consisting of water, acetic acid and tributylamine were measured. The activity coefficients were correlated by using Wilson, NRTL, and UNIQUAC Equations.The VLE experiment showed that tributylamine could enhance the relative volatility of water to acetic acid. An extractive distillation experiment was carried out and proved that tributylamine was a good extractive solvent.
基金financially supported by the National Key R&D Program of China(no.2018YFB0604902)
文摘The benzene and acetonitrile azeotropic mixture was proposed to be separated by extractive distillation using an ionic liquid(IL)as the entrainer.The suitable IL was selected by the COSMO-RS model,and 1-ethyl-3-methylimidazolium tetrafluoroborate([EMIM][BF_(4)])was considered as the suitable entrainer mainly due to its high selectivity,low viscosity,and low price.The experimental vapor pressure data of the IL-containing systems(benzene+[EMIM][BF_(4)]and acetonitrile+[EMIM][BF_(4)])were measured in the full concentration range.The results show that acetonitrile has a stronger interaction with IL than benzene,and the low deviations between the experimental and UNIFAC predicted values show the reliability of the UNFIAC model.The UNIFAC predicted vapor-liquid equilibrium data of the benzene+acetonitrile+dimethyl sulfoxide(DMSO)/[EMIM][BF_(4)]system show that the relative volatility of benzene to acetonitrile is higher when the entrainer is[EMIM][BF_(4)].The process simulation results show that[EMIM][BF_(4)]can reduce the material and energy consumptions compared with DMSO.
基金financially supported by the Guizhou Province Science and Technology United Fund (Qiankehe J zi LKLS[2013]28, LKLS[2013]27)the Guizhou Province Education Department (GZSJG10977201604)+3 种基金the Excellent Engineers Education Training Plan (LPSSY zyjypyjh201702)the Guizhou Province Education Department (Qianjiaohe KY zi [2017]258)Guizhou Solid Waste Recycling Laboratory of Coal Utilization ([2011]278)the Guizhou Ordinary College Innovation Team of Coal Solid Waste Recycling Technology ([2014]46)
文摘In order to separate methyl acetate and methanol azeotrope, the ionic liquid(IL) 1,3-dimethylimidazolium dimethylphosphate([DMIM]DMP) was used as the solvent. The Aspen Plus software was used to design and optimize the extractive distillation process. Under the optimized conditions, the mass fractions of methyl acetate and methanol were both above 99.5%. Compared with the dimethyl sulfoxide(DMSO) process, the [DMIM]DMP process has the advantages of saving energy and lower equipment investment cost. The result shows that using [DMIM]DMP as the solvent to separate a methyl acetate and methanol azeotrope has better prospect in industrial application.
基金support from the Program for the National Key R&D Program of China(2018YFB0604900)the National Natural Science Foundation of China(No.21878219)+1 种基金the financial support by the Natural Sciences and Engineering Research Council(NSERC)of Canada(RGPIN-4903-2014)China Scholarship Council(CSC)for supporting his doctoral study at McMaster University(No.201500090106)
文摘Ionic liquids(ILs)have shown excellent performance in the separation of binary azeotropes through extractive distillation[1].But the role of the ionic liquid in azeotropic system is not well understood.In this paper,COSMO-RS model was applied to screen an appropriate IL to separate the binary azeotrope of ethyl acetate(EA)and ethanol and 1-octyl-3-methylimidazolium tetrafluoroborate([OMIM][BF4])was selected.The Quantum Mechanics(QM)calculations and molecular dynamics(MD)simulation are performed to study the interactions between the solvent molecules and[OMIM][BF4],in order to investigate the separation mechanism at the molecular level.The nature of the interactions is studied through the reduced density gradient(RDG)function and quantum theory of Atom in Molecule(QTAIM).Hydrogen bonds and van der Waals interactions are the key interactions in the complexes.The results of MD simulations indicate that the introduction of ILs has a prominent effect on the interaction between the solvent molecules,especially on reducing the number of hydrogen bonds among the solvent molecules.The radial distribution function(RDF)reveals that the interaction between the cation and solvent molecules will increase while the concentration of ILs increases.This paper provides important information for understanding the role of ILs in the separation of the azeotropic system,which is valuable to the development of new entrainers.
文摘Upon extractive desulfurization of sulfur-rich oil obtained after recycling raffinate,the effects of single and compound extractants,temperature,and extractant/oil ratio on desulfurization rate,oil loss rate,extractant loss rate,and selectivity coefficient were investigated.The results showed that the thiophene existing in the simulated sulfur-rich oil could be further removed by extraction.The single-stage desulfurization rates achieved by dimethyl sulfoxide(DMSO)and sulfolane(SF)were 53.51%and 47.36%,respectively,while the selectivity coefficient of SF was 1.13,which was higher than that of DMSO(with a selectivity coefficient of 1.04).For the compound extractant,a single-stage desulfurization rate of 49.59%and a selectivity coefficient of 1.40 were obtained by using DMSO+10%MEA as the extractant,which was higher than that of SF.Upon using 50%SF+50%DMSO as the extractant,the single-stage desulfurization rate reached 50.92%with a selectivity coefficient of 1.32.Based on the comprehensive consideration,the DMSO+10%MEA extractant was selected as the best extractant for treating the sulfur-rich oil.
