The wadi dahab delta is in a dry, arid coastal zone within Egypt’s south Sinai Peninsula’s eastern portion. The primary water source is the Quaternary coastal alluvial aquifer. The groundwater salinity varies from 8...The wadi dahab delta is in a dry, arid coastal zone within Egypt’s south Sinai Peninsula’s eastern portion. The primary water source is the Quaternary coastal alluvial aquifer. The groundwater salinity varies from 890to 8213 mg/L, with a mean value of 3417 mg/L. The dissolved major ions have been used to calculate the seawater mixing index(SWMI) using a linear equation that discriminates the groundwater mostly affected by water–rock interaction(SWMI 1>) and other samples mixed with Seawater(SWMI < 1). The isotopic composition of groundwater for specifically chosen groundwater samples ranges from-0.645‰ to +5.212‰ for δ^(18)O and from-9.582‰ to + 22.778‰ for δ^(2)H, where the seawater represented by a Red Sea water sample(δ^(18)O + 1.64‰-δ^(2)H + 9.80‰) and reject brine water are considerably enriched the isotopic groundwater values. The geochemical NETPATH model constrained by the dissolved significant ions, isotopes, and the rock aquifer forming minerals as phases indicate the mixing percent with the seawater ranges from 9% to 97% of seawater from 91% to 3% of original recharge water. According to the SEAWAT 3-D flow models, seawater has penetrated the Northeastern Dahab delta aquifer, with the intrusion zone extending1500 m inland. The salt dissolution, upwelling of saline water, recharge from the upstream mountain block, and seawater encroachment are the primary aspects contributing to the deterioration of groundwater quality. These findings may have significance for effective groundwater withdrawal management in arid locations worldwide with similar hydrogeological systems.展开更多
With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. Th...With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. The role of lattice distortion induced by the strong electron–lattice interaction in organics is clarified in contrast with a uniform chain. The results demonstrate an enhanced SOC effect on the spin admixture of frontier eigenstates by the lattice distortion at a larger SOC,which is explained by the perturbation theory. The quantum transport under the SOC is calculated for both nonmagnetic and ferromagnetic electrodes. A more notable SOC effect on total transmission and current is observed for ferromagnetic electrodes, where spin filtering induced by spin-flipped transmission and suppression of magnetoresistance are obtained.Unlike the spin admixture, a stronger SOC effect on transmission exists for the uniform chain rather than the organic lattices with distortion. The reason is attributed to the modified spin-polarized conducting states in the electrodes by lattice configuration, and hence the spin-flip transmission, instead of the spin admixture of eigenstates. This work is helpful to understand the SOC effect in organic spin valves in the presence of lattice distortion.展开更多
We analyze mimetic properties of a conservative finite-volume (FV) scheme on polygonal meshes used for modeling solute transport on a surface with variable elevation. Polygonal meshes not only provide enormous mesh ge...We analyze mimetic properties of a conservative finite-volume (FV) scheme on polygonal meshes used for modeling solute transport on a surface with variable elevation. Polygonal meshes not only provide enormous mesh generation flexibility, but also tend to improve stability properties of numerical schemes and reduce bias towards any particular mesh direction. The mathematical model is given by a system of weakly coupled shallow water and linear transport equations. The equations are discretized using different explicit cell-centered FV schemes for flow and transport subsystems with different time steps. The discrete shallow water scheme is well balanced and preserves the positivity of the water depth. We provide a rigorous estimate of a stable time step for the shallow water and transport scheme and prove a bounds-preserving property of the solute concentration. The scheme is second-order accurate over fully wet regions and first-order accurate over partially wet or dry regions. Theoretical results are verified with numerical experiments on rectangular, triangular, and polygonal meshes.展开更多
Reactive transport equations in porous media are critical in various scientific and engineering disciplines,but solving these equations can be computationally expensive when exploring different scenarios,such as varyi...Reactive transport equations in porous media are critical in various scientific and engineering disciplines,but solving these equations can be computationally expensive when exploring different scenarios,such as varying porous structures and initial or boundary conditions.The deep operator network(DeepONet)has emerged as a popular deep learning framework for solving parametric partial differential equations.However,applying the DeepONet to porous media presents significant challenges due to its limited capability to extract representative features from intricate structures.To address this issue,we propose the Porous-DeepONet,a simple yet highly effective extension of the DeepONet framework that leverages convolutional neural networks(CNNs)to learn the solution operators of parametric reactive transport equations in porous media.By incorporating CNNs,we can effectively capture the intricate features of porous media,enabling accurate and efficient learning of the solution operators.We demonstrate the effectiveness of the Porous-DeepONet in accurately and rapidly learning the solution operators of parametric reactive transport equations with various boundary conditions,multiple phases,and multiphysical fields through five examples.This approach offers significant computational savings,potentially reducing the computation time by 50–1000 times compared with the finite-element method.Our work may provide a robust alternative for solving parametric reactive transport equations in porous media,paving the way for exploring complex phenomena in porous media.展开更多
An increasing number of marine aquaculture facilities have been placed in shallow bays and open sea,which might significantly affect hydrodynamic and solute transport processes in marine aquaculture waters.In this stu...An increasing number of marine aquaculture facilities have been placed in shallow bays and open sea,which might significantly affect hydrodynamic and solute transport processes in marine aquaculture waters.In this study,a coupled hydrodynamic and solute transport model was developed with high-resolution schemes in marine aquaculture waters based on depth-averaged shallow water equations.A new expression of drag force was incorporated into the momentum equations to express the resistance of suspended culture cages.The coupled model was used to simulate the effect of suspended structures on tidal currents and the movement of a contaminant cloud in the marine aquaculture of the North Yellow Sea,China.The simulation results showed a low-velocity area appearing inside the aquaculture cage area,with a maximum reduction rate of velocity close to 45%under high-density culture.The results also showed that tidal currents were sensitive to the density of suspended cages,the length of cages,and the drag coefficients of cages.The transport processes of pollutants inside aquaculture facilities were inhibited away from the vicinity of the culture cage area because of the diminished tidal currents.Therefore,the suspended cages significantly affected the transport processes of pollutants in the coastal aquaculture waters.Furthermore,the reduced horizontal velocity significantly decreased the food supply for the aquaculture areas from the surrounding sea.展开更多
Sediment collapse and subsequent lateral downslope migration play important roles in shaping the habitats and regulating sedimentary organic carbon(SOC)cycling in hadal trenches.In this study,three sediment cores were...Sediment collapse and subsequent lateral downslope migration play important roles in shaping the habitats and regulating sedimentary organic carbon(SOC)cycling in hadal trenches.In this study,three sediment cores were collected using a human-occupied vehicle across the axis of the southern Yap Trench(SYT).The total organic carbon(TOC)and total nitrogen(TN)contents,δ13C,radiocarbon ages,specific surface areas,and grain size compositions of sediments from three cores were measured.We explored the influence of the lateral downslope transport on the dispersal of the sediments and established a tentative box model for the SOC balance.In the SYT,the surface TOC content decreased with water depth and was decoupled by the funneling effect of the V-shaped hadal trench.However,the sedimentation(0.0025 cm/a)and SOC accumulation rates(∼0.038 g/(m^(2)·a)(in terms of OC))were approximately 50%higher in the deeper hadal region than in the abyssal region(0.0016 cm/a and∼0.026 g/(m^(2)·a)(in terms of OC),respectively),indicating the occurrence of lateral downslope transport.The fluctuating variations in the prokaryotic abundances and the SOC accumulation rate suggest the periodic input of surficial sediments from the shallow region.The similar average TOC(0.31%–0.38%),TN(0.06%–0.07%)contents,and SOC compositions(terrestrial OC(11%–18%),marine phytoplanktonic OC(45%–53%),and microbial OC(32%–44%))of the three sites indicate that the lateral downslope transport has a significant mixing effect on the SOC composition.The output fluxes of the laterally transported SOC(0.44–0.56 g/(m^(2)·a)(in terms of OC))contributed approximately(47%–73%)of the total SOC input,and this proportion increased with water depth.The results of this study demonstrate the importance of lateral downslope transport in the spatial distribution and development of biomes.展开更多
In operations research, the transportation problem (TP) is among the earliest and most effective applications of the linear programming problem. Unbalanced transportation problems reflect the reality of supply chain a...In operations research, the transportation problem (TP) is among the earliest and most effective applications of the linear programming problem. Unbalanced transportation problems reflect the reality of supply chain and logistics situations where the available supply of goods may not precisely match the demand at different locations. To deal with an unbalanced transportation problem (UTP), it is essential first to convert it into a balanced transportation problem (BTP) to find an initial basic feasible solution (IBFS) and hence the optimal solution. The present paper is concerned with introducing a new approach to convert an unbalanced transportation problem into a balanced one and as a consequence to obtain optimum total transportation cost. Numerical examples are provided to demonstrate the suggested method.展开更多
This study explored the concurrent scheduling of machines, tools, and tool transporter(TT) with alternative machines in a multi-machine flexible manufacturing system(FMS), taking into mind the tool transfer durations ...This study explored the concurrent scheduling of machines, tools, and tool transporter(TT) with alternative machines in a multi-machine flexible manufacturing system(FMS), taking into mind the tool transfer durations for minimization of the makespan(MSN). When tools are expensive, just a single copy of every tool kind is made available for use in the FMS system. Because the tools are housed in a central tool magazine(CTM), which then distributes and delivers them to many machines, because there is no longer a need to duplicate the tools in each machine, the associated costs are avoided. Choosing alternative machines for job operations(jb-ons), assigning tools to jb-ons, sequencing jb-ons on machines, and arranging allied trip activities, together with the TT’s loaded trip times and deadheading periods, are all challenges that must be overcome to achieve the goal of minimizing MSN. In addition to a mixed nonlinear integer programming(MNLIP) formulation for this simultaneous scheduling problem, this paper suggests a symbiotic organisms search algorithm(SOSA) for the problem’s solution. This algorithm relies on organisms’ symbiotic interaction strategies to keep living in an ecosystem. The findings demonstrate that SOSA is superior to the Jaya algorithm in providing solutions and that using alternative machines for operations helps bring down MSN.展开更多
Organic anion transporters(OATs)and organic anion transporter polypeptides(OATPs)are classified within two SLC superfamilies,namely,the SLC22A superfamily and the SLCO superfamily(formerly the SLC21A family),respectiv...Organic anion transporters(OATs)and organic anion transporter polypeptides(OATPs)are classified within two SLC superfamilies,namely,the SLC22A superfamily and the SLCO superfamily(formerly the SLC21A family),respectively.They are expressed in many tissues,such as the liver and kidney,and mediate the absorption and excretion of many endogenous and exogenous substances,including various drugs.Most are composed of 12 transmembrane polypeptide chains with the C-terminus and the N-terminus located in the cell cytoplasm.OATs and OATPs are abundantly expressed in the liver,where they mainly promote the uptake of various endogenous substrates such as bile acids and various exogenous drugs such as antifibrotic and anticancer drugs.However,differences in the locations of glycosylation sites,phosphorylation sites,and amino acids in the OAT and OATP structures lead to different substrates being transported to the liver,which ultimately results in their different roles in the liver.To date,few articles have addressed these aspects of OAT and OATP structures,and we study further the similarities and differences in their structures,tissue distribution,substrates,and roles in liver diseases.展开更多
Obstructive jaundice occurs in patients suffering from cholelithiasis and from neoplasms affecting the pancreas and the common bile duct.The absorption,distribution and elimination of drugs are impaired during this pa...Obstructive jaundice occurs in patients suffering from cholelithiasis and from neoplasms affecting the pancreas and the common bile duct.The absorption,distribution and elimination of drugs are impaired during this pathology.Prolonged cholestasis may alter both liver and kidney function.Lactam antibiotics,diuretics,non-steroidal anti-inflammatory drugs,several antiviral drugs as well as endogenous compounds are classified as organic anions.The hepatic and renal organic anion transport pathways play a key role in the pharmacokinetics of these compounds.It has been demonstrated that acute extrahepatic cholestasis is associated with increased renal elimination of organic anions.The present work describes the molecular mechanisms involved in the regulation of the expression and function of the renal and hepatic organic anion transporters in extrahepatic cholestasis,such as multidrug resistanceassociated protein 2,organic anion transporting polypeptide 1,organic anion transporter 3,bilitranslocase,bromosulfophthalein/bilirubin binding protein,organic anion transporter 1 and sodium dependent bile salt transporter.The modulation in the expression of renal organic anion transporters constitutes a compensatory mechanism to overcome the hepatic dysfunction in the elimination of organic anions.展开更多
Solute carriers(SLCs)are the largest family of transmembrane transporters that determine the exchange of various substances,including nutrients,ions,metabolites,and drugs across biological membranes.To date,the presen...Solute carriers(SLCs)are the largest family of transmembrane transporters that determine the exchange of various substances,including nutrients,ions,metabolites,and drugs across biological membranes.To date,the presence of about 287 SLC genes have been identified in the brain,among which mutations or the resultant dysfunctions of 71 SLC genes have been reported to be correlated with human brain disorders.Although increasing interest in SLCs have focused on drug development,SLCs are currently still under-explored as drug targets,especially in the brain.We summarize the main substrates and functions of SLCs that are expressed in the brain,with an emphasis on selected SLCs that are important physiologically,pathologically,and pharmacologically in the blood-brain barrier,astrocytes,and neurons.Evidence suggests that a fraction of SLCs are regulated along with the occurrences of brain disorders,among which epilepsy,neurodegenerative diseases,and autism are representative.Given the review of SLCs involved in the onset and procession of brain disorders,we hope these SLCs will be screened as promising drug targets to improve drug delivery to the brain.展开更多
This study aimed to clarify that organic anion transporters(OATs)mediate the drug–drug interaction(DDI)between imipenem and cilastatin.After co-administration with imipenem,the plasma concentrations and the plasma co...This study aimed to clarify that organic anion transporters(OATs)mediate the drug–drug interaction(DDI)between imipenem and cilastatin.After co-administration with imipenem,the plasma concentrations and the plasma concentration-time curve(AUC)of cilastatin were significantly increased,while renal clearance and cumulative urinary excretion of cilastatin were decreased.At the same time,imipenem significantly inhibited the uptake of cilastatin in rat kidney slices and in human OAT1(hOAT1)-HEK293 and human OAT3(hOAT3)-HEK293 cells.Probenecid,p-aminohippurate,and benzylpenicillin inhibited the uptake of imipenem and cilastatin in rat kidney slices and in hOAT1-and hOAT3-HEK 293 cells,respectively.The uptakes of imipenem and cilastatin in hOAT1-and hOAT3-HEK 293 cells were significantly higher than that in mock-HEK-293 cells.Moreover,the K m values of cilastatin were increased in the presence of imipenem with unchanged V max,indicating that imipenem inhibited the uptake of cilastatin in a competitive manner.When imipenem and cilastatin were co-administered,the level of imipenem was higher compared with imipenem alone both in vivo and in vitro.But,cilastatin significantly inhibited the uptake of imipenem when dehydropeptidase-1(DPEP1)was silenced by RNAi technology in hOAT1-and hOAT3-HEK 293 cells.In conclusion,imipenem and cilastatin are the substrates of OAT1 and OAT3.OAT1 and OAT3 mediate the DDI between imipenem and cilastatin.Meanwhile,cilastatin also reduces the hydrolysis of imipenem by inhibiting the uptake of imipenem mediated by OAT1 and OAT3 in the kidney as a complement.展开更多
To assess the mechanism of the pharmacokinetic interaction between piperacillin and tazobactam,renal excretion and pharmacokinetic studies of piperacillin/tazobactam were investigated in normal and bacteremia rats.A b...To assess the mechanism of the pharmacokinetic interaction between piperacillin and tazobactam,renal excretion and pharmacokinetic studies of piperacillin/tazobactam were investigated in normal and bacteremia rats.A bacteremia model was established to investigate the pharmacokinetic properties of piperacillin and tazobactam under different conditions.Renal slices were taken to examine the uptake of piperacillin and tazobactam.Pharmacokinetic studies ofβ-lactamase in rats were performed to study the contribution of rOat1/3 to the inhibition of tazobactam onβ-lactamase.The AUC(from 2.93±0.58 to 6.52±1.44 mg·min/ml)and the plasma clearance(CL P)(from 2.41±1.20 to 0.961±0.212 ml/min/kg)of tazobactam were both altered after the intravenous coadministration of piperacillin and tazobactam in the bacteremia rats.The renal clearance(CL R)of tazobactam decreased from 1.30±0.50 to 0.361±0.043 ml/min/kg.In summary,there was a beneficial interaction between piperacillin and tazobactam mediated by rOat1 and rOat3.Piperacillin enhances the inhibitory effect of tazobactam onβ-lactamase through the inhibition of rOat1 and rOat3 in rats.The contribution rate of rOat1/3 for the synergistic effect was 20%when the two drugs were coadministered.展开更多
Recent years have seen the development of a number of mathematical models for the description of the simultaneous transport of microorganisms and bioreactive solutes in porous media. Most models are based on the adve...Recent years have seen the development of a number of mathematical models for the description of the simultaneous transport of microorganisms and bioreactive solutes in porous media. Most models are based on the advection dispersion equation, with terms added to account for interactions with the surfaces of the solid matrix, transformations and microbial activities. Those models based on the advection dispersion equation have all been shown to represent laboratory experimental data adequately although various assumptions have been made concerning the pore scale distribution of bacteria. This paper provides an overview of the recent work on modelling the transport and fate of microorganisms and bioreactive solutes in porous media and examines the different assumptions regarding the pore scale distribution of microorganisms.展开更多
AIM: To evaluate the inhibitory effects of apigenin and kaempferol on the uptake of several important solute carrier (SLC) transporters.METHODS: Various SLC transporters including the essential human organic anion...AIM: To evaluate the inhibitory effects of apigenin and kaempferol on the uptake of several important solute carrier (SLC) transporters.METHODS: Various SLC transporters including the essential human organic anion transporter 1 (OAT1), OAT2, OAT3 and OAT4 as well as the important organic cation transporter 1 (OCTN1) and OCTN2, were over-expressed in human embryonic kidney (HEK)-293 cells, a well-established cell model of transporter studies. Transport uptake assay was performed 24 h after the transfection. The transport activity was assessed with the uptake of previously determined transporter model substrates and the inhibitory effect of apigenin and kaempferol was evaluated with the substrate uptake in the presence of 10 μmol/L of each compound. Uptake measurements with varying concentrations of inhibitors (ranged from 0.0001 to 50 μmol/L) were performed to further characterize the inhibitory potency of apigenin and kaempferol. The IC50 value (the concentration that inhibits 50% of the transporter function) of each com-pound was then calculated by the nonlinear regression model of Graphpad Prism 6.0 software.RESULTS: Our data indicated that apigenin could potently inhibit the uptake of estrone-3-sulfate (ES) mediated by the HEK-293 cells expressing OAT2, OAT3 and OAT4 as well as the L-ergothioneine uptake via OCTN1-expressing HEK-293 cells. Among these trans-porters, the most prominent inhibition of apigenin was observed in the case of OAT3. Kaempferol showed sig-nifcant inhibitory effects on the uptake of ES mediated through OAT2 and OAT3. Impaired L-ergothioneine uptake due to the presence of kaempferol was also ob-served in OCTN1-expressing HEK-293 cells. Similar to apigenin, kaempferol showed the most potent inhibito-ry effect on OAT3 as well. To further assess the inhibi-tory potencies of these two compounds on the uptake of ES mediated by OAT3-expressing HEK-293 cells, their IC50 values were then determined. Both chemicals showed pronounced inhibitory potencies on OAT3 with the IC50 values of 1.7 ± 0.1 and 1.0 ± 0.1 μmol/L (P 〈 0.01) for apigenin and kaempferol, respectively.CONCLUSION: Both apigenin and kaempferol are po-tent inhibitors of OAT3; precautions will be necessary when co-administrating them with drugs that are sub-strates of OAT3.展开更多
Background: Human organic cationic transporter1 (Hoct1) is a plasma membrane transporter responsible for the main influx of Imatinib into chronic myeloid leukemia (CML) cells. Single nucleotide polymorphisms (SNPs) in...Background: Human organic cationic transporter1 (Hoct1) is a plasma membrane transporter responsible for the main influx of Imatinib into chronic myeloid leukemia (CML) cells. Single nucleotide polymorphisms (SNPs) in the gene coding for hOCT1 are important factors causing Imatinib resistance. We investigated the frequency of hOCT1 SNP C480G among Egyptian CML patients and its relation to early molecular response as an indicator of treatment outcome. Materials and Methods: Two groups of CML patients were included in this study. Group I consisted of 25 patients responding to Imatinib treatment (Imatinib responsive) and group II consisted of 25 patients resistant to Imatinib (Imatinib resistant). Response criteria were assessed according to the NCCN (National Comprehensive Cancer Network) guidelines 2017. Twenty healthy controls of matched age and sex were also included (group III). For all patients, we studied hOCT1 C480G at initial presentation using Taqman drug metabolism genotyping as well as BCR-ABL percent at diagnosis and after 3 months interval. Results: hOCT1 C480G was present in 32% of studied CML patients. CC (wild) was detected in 68% of group I and 64% of group II. CG (mutant heterozygous) was present in 28% of group I and 36% of group II while GG (mutant homozygous) was detected in only one case in group I. CG was also detected in 15% of control subjects There was no significant difference between hOCT1 C480G polymorphism and Early Molecular Response (χ2 = 0.089, p = 0.765). Conclusions: hOCT1 C480G polymorphism has no association with Imatinib resistance in Egyptian population. However, further studies on a larger number of patients are still needed to confirm this finding.展开更多
Overwhelming evidence reveals that concentrations of dissolved organic carbon (DOC) have increased in streams which brings negative environmental impacts. DOC in stream flow is mainly originated from soil-water solu...Overwhelming evidence reveals that concentrations of dissolved organic carbon (DOC) have increased in streams which brings negative environmental impacts. DOC in stream flow is mainly originated from soil-water solutions of watershed. Wetlands prove to be the most sensitive areas as an important DOC reserve between terrestrial and fluvial biogeosystems. This reported study was focused on the distribution characteristics and the controlling factors of DOC in soil-water solutions of annular wetland, i.e., a dishing wetland and a forest wetland together, in the Sanjiang Plain, Northeast China. The results indicate that DOC concentrations in soilwater solutions decreased and then increased with increasing soil depth in the annular wetland. In the upper soil layers of 0-10 cm and 10-20 cm, DOC concentrations in soil-water solutions linearly increased from edge to center of the annular wetland (R^2 = 0.3122 and R^2 = 0.443). The distribution variations were intimately linked to DOC production and utilization and DOC transport processes in annular wetland soil-water solutions. The concentrations of total organic carbon (TOC), total carbon (TC) and Fe(II), DOC mobility and continuous vertical and lateral flow affectext the distribution variations of DOC in soil-water solutions. The correlation coefficients between DOC concentrations and TOC, TC and Fe(II) were 0.974, 0.813 and 0.753 respectively. These distribution characteristics suggested a systematic response of the distribution variations of DOC in annular wetland soil-water solutions to the geometry of closed depressions on a scale of small catchments. However, the DOC in soil pore water of the annular wetland may be the potential source of DOC to stream flow on watershed scale. These observations also implied the fragmentation of wetland landscape could bring the spatial-temporal variations of DOC distribution and exports, which would bring negative environmental impacts in watersheds of the Sanjiang Plain.展开更多
Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer (salt deposit) in Qarhan Salt Lake was studied by using the Pitzer theory. Th...Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer (salt deposit) in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea of transport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system (salt deposits) was developed by using the Pitzer theory. Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/ Magnesium in the mining of salt deposits in Qarhan Salt Lake.展开更多
This paper compares numerical modeling of the effect of stress on solute transport (advection and matrix diffusion) in fractured rocks in which fracture apertures are correlated with fracture lengths. It is mainly m...This paper compares numerical modeling of the effect of stress on solute transport (advection and matrix diffusion) in fractured rocks in which fracture apertures are correlated with fracture lengths. It is mainly motivated by the performance and safety assessments of underground radioactive waste repositories. Five research teams used different approaches to model stress/deformation, flow and transport pro- cesses, based on either discrete fracture network or equivalent continuum models. The simulation results derived by various teams generally demonstrated that rock stresses could significantly influence solute transport processes through stress-induced changes in fracture apertures and associated changes in per- meability. Reasonably good agreement was achieved regarding advection and matrix diffusion given the same fracture network, while some observed discrepancies could be explained by different mechanical or transport modeling approaches.展开更多
As the abundant biopolymer, cellulose can be used as a feedstock for chemicals and materials. Effective conversion of cellulose by simple processes is a key point. Degradation of cellulose in its homogeneous solution ...As the abundant biopolymer, cellulose can be used as a feedstock for chemicals and materials. Effective conversion of cellulose by simple processes is a key point. Degradation of cellulose in its homogeneous solution is attractive for the molecular chains are free and spread. Here,microcrystalline cellulose was first dissolved in aqueous solution of Na OH and urea, and then hydrothermal reaction was carried out at various temperature and time. Fluorescence carbon dots(CDs) were generated accompanied with six organic acids: oxalic acid, formic acid, malonic acid, lactic acid, acetic acid, and fumaric acid. The yields of all organic acids and CDs, and the fluorescence quantum yield(QY) of CDs were studied at different reaction conditions. It was found that the maximum yield of organic acids and CDs are 80.1% and 6.03%, respectively, and the highest QY of the CDs is 10.9%. Fluorescence studies reveal that the as-prepared CDs has efficient selectivity and sensitivity toward iron ions in acidic condition, indicating it is a potential fluorescent sensor to the detection of Fe3+. Importantly, it provides a panorama to summary the degradation routes of cellulose in its homogeneous aqueous solution with both organic molecules and CDs as products.展开更多
文摘The wadi dahab delta is in a dry, arid coastal zone within Egypt’s south Sinai Peninsula’s eastern portion. The primary water source is the Quaternary coastal alluvial aquifer. The groundwater salinity varies from 890to 8213 mg/L, with a mean value of 3417 mg/L. The dissolved major ions have been used to calculate the seawater mixing index(SWMI) using a linear equation that discriminates the groundwater mostly affected by water–rock interaction(SWMI 1>) and other samples mixed with Seawater(SWMI < 1). The isotopic composition of groundwater for specifically chosen groundwater samples ranges from-0.645‰ to +5.212‰ for δ^(18)O and from-9.582‰ to + 22.778‰ for δ^(2)H, where the seawater represented by a Red Sea water sample(δ^(18)O + 1.64‰-δ^(2)H + 9.80‰) and reject brine water are considerably enriched the isotopic groundwater values. The geochemical NETPATH model constrained by the dissolved significant ions, isotopes, and the rock aquifer forming minerals as phases indicate the mixing percent with the seawater ranges from 9% to 97% of seawater from 91% to 3% of original recharge water. According to the SEAWAT 3-D flow models, seawater has penetrated the Northeastern Dahab delta aquifer, with the intrusion zone extending1500 m inland. The salt dissolution, upwelling of saline water, recharge from the upstream mountain block, and seawater encroachment are the primary aspects contributing to the deterioration of groundwater quality. These findings may have significance for effective groundwater withdrawal management in arid locations worldwide with similar hydrogeological systems.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11974215,21933002,and 12274264)。
文摘With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. The role of lattice distortion induced by the strong electron–lattice interaction in organics is clarified in contrast with a uniform chain. The results demonstrate an enhanced SOC effect on the spin admixture of frontier eigenstates by the lattice distortion at a larger SOC,which is explained by the perturbation theory. The quantum transport under the SOC is calculated for both nonmagnetic and ferromagnetic electrodes. A more notable SOC effect on total transmission and current is observed for ferromagnetic electrodes, where spin filtering induced by spin-flipped transmission and suppression of magnetoresistance are obtained.Unlike the spin admixture, a stronger SOC effect on transmission exists for the uniform chain rather than the organic lattices with distortion. The reason is attributed to the modified spin-polarized conducting states in the electrodes by lattice configuration, and hence the spin-flip transmission, instead of the spin admixture of eigenstates. This work is helpful to understand the SOC effect in organic spin valves in the presence of lattice distortion.
基金This work was carried out under the auspices of the National Nuclear Security Administration of the U.S.Department of Energy at Los Alamos National Laboratory under Contract No.DE-AC52-06NA25396The Los Alamos unlimited release number is LA-UR-22-30864.
文摘We analyze mimetic properties of a conservative finite-volume (FV) scheme on polygonal meshes used for modeling solute transport on a surface with variable elevation. Polygonal meshes not only provide enormous mesh generation flexibility, but also tend to improve stability properties of numerical schemes and reduce bias towards any particular mesh direction. The mathematical model is given by a system of weakly coupled shallow water and linear transport equations. The equations are discretized using different explicit cell-centered FV schemes for flow and transport subsystems with different time steps. The discrete shallow water scheme is well balanced and preserves the positivity of the water depth. We provide a rigorous estimate of a stable time step for the shallow water and transport scheme and prove a bounds-preserving property of the solute concentration. The scheme is second-order accurate over fully wet regions and first-order accurate over partially wet or dry regions. Theoretical results are verified with numerical experiments on rectangular, triangular, and polygonal meshes.
基金supported by the National Key Research and Development Program of China(2022YFA1503501)the National Natural Science Foundation of China(22378112,22278127,and 22078088)+1 种基金the Fundamental Research Funds for the Central Universities(2022ZFJH004)the Shanghai Rising-Star Program(21QA1401900).
文摘Reactive transport equations in porous media are critical in various scientific and engineering disciplines,but solving these equations can be computationally expensive when exploring different scenarios,such as varying porous structures and initial or boundary conditions.The deep operator network(DeepONet)has emerged as a popular deep learning framework for solving parametric partial differential equations.However,applying the DeepONet to porous media presents significant challenges due to its limited capability to extract representative features from intricate structures.To address this issue,we propose the Porous-DeepONet,a simple yet highly effective extension of the DeepONet framework that leverages convolutional neural networks(CNNs)to learn the solution operators of parametric reactive transport equations in porous media.By incorporating CNNs,we can effectively capture the intricate features of porous media,enabling accurate and efficient learning of the solution operators.We demonstrate the effectiveness of the Porous-DeepONet in accurately and rapidly learning the solution operators of parametric reactive transport equations with various boundary conditions,multiple phases,and multiphysical fields through five examples.This approach offers significant computational savings,potentially reducing the computation time by 50–1000 times compared with the finite-element method.Our work may provide a robust alternative for solving parametric reactive transport equations in porous media,paving the way for exploring complex phenomena in porous media.
基金supported by the National Nature Science Foundation of China(Grants No.51879028 and U21A20155)the National Key Research and Development Program of China(Grant No.2019YFC1407704)+1 种基金the Open Fund of the State Key Laboratory of Coastal and Offshore Engineering,Dalian University of Technology(Grant No.LP2009)the Dalian Science and Technology Innovation Fund Project(Grant No.2021JJ11CG001)。
文摘An increasing number of marine aquaculture facilities have been placed in shallow bays and open sea,which might significantly affect hydrodynamic and solute transport processes in marine aquaculture waters.In this study,a coupled hydrodynamic and solute transport model was developed with high-resolution schemes in marine aquaculture waters based on depth-averaged shallow water equations.A new expression of drag force was incorporated into the momentum equations to express the resistance of suspended culture cages.The coupled model was used to simulate the effect of suspended structures on tidal currents and the movement of a contaminant cloud in the marine aquaculture of the North Yellow Sea,China.The simulation results showed a low-velocity area appearing inside the aquaculture cage area,with a maximum reduction rate of velocity close to 45%under high-density culture.The results also showed that tidal currents were sensitive to the density of suspended cages,the length of cages,and the drag coefficients of cages.The transport processes of pollutants inside aquaculture facilities were inhibited away from the vicinity of the culture cage area because of the diminished tidal currents.Therefore,the suspended cages significantly affected the transport processes of pollutants in the coastal aquaculture waters.Furthermore,the reduced horizontal velocity significantly decreased the food supply for the aquaculture areas from the surrounding sea.
基金The Scientific Research Fund of the Second Institute of Oceanography under contract Nos JG2011 and JG1516the National Natural Science Foundation of China under contract No.41606090the National Basic Research Program(973 Program)of China under contract No.2015CB755904.
文摘Sediment collapse and subsequent lateral downslope migration play important roles in shaping the habitats and regulating sedimentary organic carbon(SOC)cycling in hadal trenches.In this study,three sediment cores were collected using a human-occupied vehicle across the axis of the southern Yap Trench(SYT).The total organic carbon(TOC)and total nitrogen(TN)contents,δ13C,radiocarbon ages,specific surface areas,and grain size compositions of sediments from three cores were measured.We explored the influence of the lateral downslope transport on the dispersal of the sediments and established a tentative box model for the SOC balance.In the SYT,the surface TOC content decreased with water depth and was decoupled by the funneling effect of the V-shaped hadal trench.However,the sedimentation(0.0025 cm/a)and SOC accumulation rates(∼0.038 g/(m^(2)·a)(in terms of OC))were approximately 50%higher in the deeper hadal region than in the abyssal region(0.0016 cm/a and∼0.026 g/(m^(2)·a)(in terms of OC),respectively),indicating the occurrence of lateral downslope transport.The fluctuating variations in the prokaryotic abundances and the SOC accumulation rate suggest the periodic input of surficial sediments from the shallow region.The similar average TOC(0.31%–0.38%),TN(0.06%–0.07%)contents,and SOC compositions(terrestrial OC(11%–18%),marine phytoplanktonic OC(45%–53%),and microbial OC(32%–44%))of the three sites indicate that the lateral downslope transport has a significant mixing effect on the SOC composition.The output fluxes of the laterally transported SOC(0.44–0.56 g/(m^(2)·a)(in terms of OC))contributed approximately(47%–73%)of the total SOC input,and this proportion increased with water depth.The results of this study demonstrate the importance of lateral downslope transport in the spatial distribution and development of biomes.
文摘In operations research, the transportation problem (TP) is among the earliest and most effective applications of the linear programming problem. Unbalanced transportation problems reflect the reality of supply chain and logistics situations where the available supply of goods may not precisely match the demand at different locations. To deal with an unbalanced transportation problem (UTP), it is essential first to convert it into a balanced transportation problem (BTP) to find an initial basic feasible solution (IBFS) and hence the optimal solution. The present paper is concerned with introducing a new approach to convert an unbalanced transportation problem into a balanced one and as a consequence to obtain optimum total transportation cost. Numerical examples are provided to demonstrate the suggested method.
文摘This study explored the concurrent scheduling of machines, tools, and tool transporter(TT) with alternative machines in a multi-machine flexible manufacturing system(FMS), taking into mind the tool transfer durations for minimization of the makespan(MSN). When tools are expensive, just a single copy of every tool kind is made available for use in the FMS system. Because the tools are housed in a central tool magazine(CTM), which then distributes and delivers them to many machines, because there is no longer a need to duplicate the tools in each machine, the associated costs are avoided. Choosing alternative machines for job operations(jb-ons), assigning tools to jb-ons, sequencing jb-ons on machines, and arranging allied trip activities, together with the TT’s loaded trip times and deadheading periods, are all challenges that must be overcome to achieve the goal of minimizing MSN. In addition to a mixed nonlinear integer programming(MNLIP) formulation for this simultaneous scheduling problem, this paper suggests a symbiotic organisms search algorithm(SOSA) for the problem’s solution. This algorithm relies on organisms’ symbiotic interaction strategies to keep living in an ecosystem. The findings demonstrate that SOSA is superior to the Jaya algorithm in providing solutions and that using alternative machines for operations helps bring down MSN.
文摘Organic anion transporters(OATs)and organic anion transporter polypeptides(OATPs)are classified within two SLC superfamilies,namely,the SLC22A superfamily and the SLCO superfamily(formerly the SLC21A family),respectively.They are expressed in many tissues,such as the liver and kidney,and mediate the absorption and excretion of many endogenous and exogenous substances,including various drugs.Most are composed of 12 transmembrane polypeptide chains with the C-terminus and the N-terminus located in the cell cytoplasm.OATs and OATPs are abundantly expressed in the liver,where they mainly promote the uptake of various endogenous substrates such as bile acids and various exogenous drugs such as antifibrotic and anticancer drugs.However,differences in the locations of glycosylation sites,phosphorylation sites,and amino acids in the OAT and OATP structures lead to different substrates being transported to the liver,which ultimately results in their different roles in the liver.To date,few articles have addressed these aspects of OAT and OATP structures,and we study further the similarities and differences in their structures,tissue distribution,substrates,and roles in liver diseases.
基金Supported by Grants from FONCYT(PICT 2007,No.00966, PICT 2010,No.2127)CONICET(PIP 2009-2011,No.1665, PIP2012-2015,No.00014)UNR PID(2008-2011/2012-2015)
文摘Obstructive jaundice occurs in patients suffering from cholelithiasis and from neoplasms affecting the pancreas and the common bile duct.The absorption,distribution and elimination of drugs are impaired during this pathology.Prolonged cholestasis may alter both liver and kidney function.Lactam antibiotics,diuretics,non-steroidal anti-inflammatory drugs,several antiviral drugs as well as endogenous compounds are classified as organic anions.The hepatic and renal organic anion transport pathways play a key role in the pharmacokinetics of these compounds.It has been demonstrated that acute extrahepatic cholestasis is associated with increased renal elimination of organic anions.The present work describes the molecular mechanisms involved in the regulation of the expression and function of the renal and hepatic organic anion transporters in extrahepatic cholestasis,such as multidrug resistanceassociated protein 2,organic anion transporting polypeptide 1,organic anion transporter 3,bilitranslocase,bromosulfophthalein/bilirubin binding protein,organic anion transporter 1 and sodium dependent bile salt transporter.The modulation in the expression of renal organic anion transporters constitutes a compensatory mechanism to overcome the hepatic dysfunction in the elimination of organic anions.
基金This work was supported by Nation Science and Technology Major Projects for Major New Drugs Innovation and Development(2018ZX09711003-004-002 to L.C.)Ministry of Science and Technology of China National Key R&D Programs(2018YFA0506903 to L.C.)National Natural Science Foundation of China grants(91857108 to L.C.).
文摘Solute carriers(SLCs)are the largest family of transmembrane transporters that determine the exchange of various substances,including nutrients,ions,metabolites,and drugs across biological membranes.To date,the presence of about 287 SLC genes have been identified in the brain,among which mutations or the resultant dysfunctions of 71 SLC genes have been reported to be correlated with human brain disorders.Although increasing interest in SLCs have focused on drug development,SLCs are currently still under-explored as drug targets,especially in the brain.We summarize the main substrates and functions of SLCs that are expressed in the brain,with an emphasis on selected SLCs that are important physiologically,pathologically,and pharmacologically in the blood-brain barrier,astrocytes,and neurons.Evidence suggests that a fraction of SLCs are regulated along with the occurrences of brain disorders,among which epilepsy,neurodegenerative diseases,and autism are representative.Given the review of SLCs involved in the onset and procession of brain disorders,we hope these SLCs will be screened as promising drug targets to improve drug delivery to the brain.
基金supported by a grant from the National Natural Science Foundation of China (No. 81874324,81473280,U1608283)the Natural Science Foundation of Liaoning (No. 20170540293)Dalian Science and technology innovation fund (No. 2018J12SN065).
文摘This study aimed to clarify that organic anion transporters(OATs)mediate the drug–drug interaction(DDI)between imipenem and cilastatin.After co-administration with imipenem,the plasma concentrations and the plasma concentration-time curve(AUC)of cilastatin were significantly increased,while renal clearance and cumulative urinary excretion of cilastatin were decreased.At the same time,imipenem significantly inhibited the uptake of cilastatin in rat kidney slices and in human OAT1(hOAT1)-HEK293 and human OAT3(hOAT3)-HEK293 cells.Probenecid,p-aminohippurate,and benzylpenicillin inhibited the uptake of imipenem and cilastatin in rat kidney slices and in hOAT1-and hOAT3-HEK 293 cells,respectively.The uptakes of imipenem and cilastatin in hOAT1-and hOAT3-HEK 293 cells were significantly higher than that in mock-HEK-293 cells.Moreover,the K m values of cilastatin were increased in the presence of imipenem with unchanged V max,indicating that imipenem inhibited the uptake of cilastatin in a competitive manner.When imipenem and cilastatin were co-administered,the level of imipenem was higher compared with imipenem alone both in vivo and in vitro.But,cilastatin significantly inhibited the uptake of imipenem when dehydropeptidase-1(DPEP1)was silenced by RNAi technology in hOAT1-and hOAT3-HEK 293 cells.In conclusion,imipenem and cilastatin are the substrates of OAT1 and OAT3.OAT1 and OAT3 mediate the DDI between imipenem and cilastatin.Meanwhile,cilastatin also reduces the hydrolysis of imipenem by inhibiting the uptake of imipenem mediated by OAT1 and OAT3 in the kidney as a complement.
基金supported by the National Natural Science Foundation of China(Nos.81874324,81473280,U1608283,81603186)
文摘To assess the mechanism of the pharmacokinetic interaction between piperacillin and tazobactam,renal excretion and pharmacokinetic studies of piperacillin/tazobactam were investigated in normal and bacteremia rats.A bacteremia model was established to investigate the pharmacokinetic properties of piperacillin and tazobactam under different conditions.Renal slices were taken to examine the uptake of piperacillin and tazobactam.Pharmacokinetic studies ofβ-lactamase in rats were performed to study the contribution of rOat1/3 to the inhibition of tazobactam onβ-lactamase.The AUC(from 2.93±0.58 to 6.52±1.44 mg·min/ml)and the plasma clearance(CL P)(from 2.41±1.20 to 0.961±0.212 ml/min/kg)of tazobactam were both altered after the intravenous coadministration of piperacillin and tazobactam in the bacteremia rats.The renal clearance(CL R)of tazobactam decreased from 1.30±0.50 to 0.361±0.043 ml/min/kg.In summary,there was a beneficial interaction between piperacillin and tazobactam mediated by rOat1 and rOat3.Piperacillin enhances the inhibitory effect of tazobactam onβ-lactamase through the inhibition of rOat1 and rOat3 in rats.The contribution rate of rOat1/3 for the synergistic effect was 20%when the two drugs were coadministered.
文摘Recent years have seen the development of a number of mathematical models for the description of the simultaneous transport of microorganisms and bioreactive solutes in porous media. Most models are based on the advection dispersion equation, with terms added to account for interactions with the surfaces of the solid matrix, transformations and microbial activities. Those models based on the advection dispersion equation have all been shown to represent laboratory experimental data adequately although various assumptions have been made concerning the pore scale distribution of bacteria. This paper provides an overview of the recent work on modelling the transport and fate of microorganisms and bioreactive solutes in porous media and examines the different assumptions regarding the pore scale distribution of microorganisms.
基金Supported by Internal funding from Faculty of Pharmacy,the University of Sydney,Australia
文摘AIM: To evaluate the inhibitory effects of apigenin and kaempferol on the uptake of several important solute carrier (SLC) transporters.METHODS: Various SLC transporters including the essential human organic anion transporter 1 (OAT1), OAT2, OAT3 and OAT4 as well as the important organic cation transporter 1 (OCTN1) and OCTN2, were over-expressed in human embryonic kidney (HEK)-293 cells, a well-established cell model of transporter studies. Transport uptake assay was performed 24 h after the transfection. The transport activity was assessed with the uptake of previously determined transporter model substrates and the inhibitory effect of apigenin and kaempferol was evaluated with the substrate uptake in the presence of 10 μmol/L of each compound. Uptake measurements with varying concentrations of inhibitors (ranged from 0.0001 to 50 μmol/L) were performed to further characterize the inhibitory potency of apigenin and kaempferol. The IC50 value (the concentration that inhibits 50% of the transporter function) of each com-pound was then calculated by the nonlinear regression model of Graphpad Prism 6.0 software.RESULTS: Our data indicated that apigenin could potently inhibit the uptake of estrone-3-sulfate (ES) mediated by the HEK-293 cells expressing OAT2, OAT3 and OAT4 as well as the L-ergothioneine uptake via OCTN1-expressing HEK-293 cells. Among these trans-porters, the most prominent inhibition of apigenin was observed in the case of OAT3. Kaempferol showed sig-nifcant inhibitory effects on the uptake of ES mediated through OAT2 and OAT3. Impaired L-ergothioneine uptake due to the presence of kaempferol was also ob-served in OCTN1-expressing HEK-293 cells. Similar to apigenin, kaempferol showed the most potent inhibito-ry effect on OAT3 as well. To further assess the inhibi-tory potencies of these two compounds on the uptake of ES mediated by OAT3-expressing HEK-293 cells, their IC50 values were then determined. Both chemicals showed pronounced inhibitory potencies on OAT3 with the IC50 values of 1.7 ± 0.1 and 1.0 ± 0.1 μmol/L (P 〈 0.01) for apigenin and kaempferol, respectively.CONCLUSION: Both apigenin and kaempferol are po-tent inhibitors of OAT3; precautions will be necessary when co-administrating them with drugs that are sub-strates of OAT3.
文摘Background: Human organic cationic transporter1 (Hoct1) is a plasma membrane transporter responsible for the main influx of Imatinib into chronic myeloid leukemia (CML) cells. Single nucleotide polymorphisms (SNPs) in the gene coding for hOCT1 are important factors causing Imatinib resistance. We investigated the frequency of hOCT1 SNP C480G among Egyptian CML patients and its relation to early molecular response as an indicator of treatment outcome. Materials and Methods: Two groups of CML patients were included in this study. Group I consisted of 25 patients responding to Imatinib treatment (Imatinib responsive) and group II consisted of 25 patients resistant to Imatinib (Imatinib resistant). Response criteria were assessed according to the NCCN (National Comprehensive Cancer Network) guidelines 2017. Twenty healthy controls of matched age and sex were also included (group III). For all patients, we studied hOCT1 C480G at initial presentation using Taqman drug metabolism genotyping as well as BCR-ABL percent at diagnosis and after 3 months interval. Results: hOCT1 C480G was present in 32% of studied CML patients. CC (wild) was detected in 68% of group I and 64% of group II. CG (mutant heterozygous) was present in 28% of group I and 36% of group II while GG (mutant homozygous) was detected in only one case in group I. CG was also detected in 15% of control subjects There was no significant difference between hOCT1 C480G polymorphism and Early Molecular Response (χ2 = 0.089, p = 0.765). Conclusions: hOCT1 C480G polymorphism has no association with Imatinib resistance in Egyptian population. However, further studies on a larger number of patients are still needed to confirm this finding.
基金Project supported by the Knowledge Innovation Engineering Project of the Chinese Academy of Sciences(No. KSCX2-YW-N-46-06)the National Natural Science Foundation of China(No. 40501030).
文摘Overwhelming evidence reveals that concentrations of dissolved organic carbon (DOC) have increased in streams which brings negative environmental impacts. DOC in stream flow is mainly originated from soil-water solutions of watershed. Wetlands prove to be the most sensitive areas as an important DOC reserve between terrestrial and fluvial biogeosystems. This reported study was focused on the distribution characteristics and the controlling factors of DOC in soil-water solutions of annular wetland, i.e., a dishing wetland and a forest wetland together, in the Sanjiang Plain, Northeast China. The results indicate that DOC concentrations in soilwater solutions decreased and then increased with increasing soil depth in the annular wetland. In the upper soil layers of 0-10 cm and 10-20 cm, DOC concentrations in soil-water solutions linearly increased from edge to center of the annular wetland (R^2 = 0.3122 and R^2 = 0.443). The distribution variations were intimately linked to DOC production and utilization and DOC transport processes in annular wetland soil-water solutions. The concentrations of total organic carbon (TOC), total carbon (TC) and Fe(II), DOC mobility and continuous vertical and lateral flow affectext the distribution variations of DOC in soil-water solutions. The correlation coefficients between DOC concentrations and TOC, TC and Fe(II) were 0.974, 0.813 and 0.753 respectively. These distribution characteristics suggested a systematic response of the distribution variations of DOC in annular wetland soil-water solutions to the geometry of closed depressions on a scale of small catchments. However, the DOC in soil pore water of the annular wetland may be the potential source of DOC to stream flow on watershed scale. These observations also implied the fragmentation of wetland landscape could bring the spatial-temporal variations of DOC distribution and exports, which would bring negative environmental impacts in watersheds of the Sanjiang Plain.
基金the National Natural Science Foundation of China
文摘Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer (salt deposit) in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea of transport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system (salt deposits) was developed by using the Pitzer theory. Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/ Magnesium in the mining of salt deposits in Qarhan Salt Lake.
基金the context of the international DECOVALEX-2011 ProjectLBNL from NDA via SERCO TAS was provided through the U.S. Department of Energy Contract No. DE-AC02-05CH11231supported by the Ministry of Education of the Czech Republic within the SGS project No. 7822/115 on the TUL
文摘This paper compares numerical modeling of the effect of stress on solute transport (advection and matrix diffusion) in fractured rocks in which fracture apertures are correlated with fracture lengths. It is mainly motivated by the performance and safety assessments of underground radioactive waste repositories. Five research teams used different approaches to model stress/deformation, flow and transport pro- cesses, based on either discrete fracture network or equivalent continuum models. The simulation results derived by various teams generally demonstrated that rock stresses could significantly influence solute transport processes through stress-induced changes in fracture apertures and associated changes in per- meability. Reasonably good agreement was achieved regarding advection and matrix diffusion given the same fracture network, while some observed discrepancies could be explained by different mechanical or transport modeling approaches.
基金supported by the National Natural Science Foundation of China (No. 51373162 and 51673180)
文摘As the abundant biopolymer, cellulose can be used as a feedstock for chemicals and materials. Effective conversion of cellulose by simple processes is a key point. Degradation of cellulose in its homogeneous solution is attractive for the molecular chains are free and spread. Here,microcrystalline cellulose was first dissolved in aqueous solution of Na OH and urea, and then hydrothermal reaction was carried out at various temperature and time. Fluorescence carbon dots(CDs) were generated accompanied with six organic acids: oxalic acid, formic acid, malonic acid, lactic acid, acetic acid, and fumaric acid. The yields of all organic acids and CDs, and the fluorescence quantum yield(QY) of CDs were studied at different reaction conditions. It was found that the maximum yield of organic acids and CDs are 80.1% and 6.03%, respectively, and the highest QY of the CDs is 10.9%. Fluorescence studies reveal that the as-prepared CDs has efficient selectivity and sensitivity toward iron ions in acidic condition, indicating it is a potential fluorescent sensor to the detection of Fe3+. Importantly, it provides a panorama to summary the degradation routes of cellulose in its homogeneous aqueous solution with both organic molecules and CDs as products.