Introduction: Adequate information about patient using health care facilities is a critical element in planning activities and allocation resources in health sector. In Iran, with performing family physician plan and ...Introduction: Adequate information about patient using health care facilities is a critical element in planning activities and allocation resources in health sector. In Iran, with performing family physician plan and attempt to reform referral system, the study of mobility of patients between regions (patient migration) has more importance. The aims of the study are: 1) to describe patients’ migration across cities of Iranian Kerman province;2) to analyze the role of possible determinants affecting the mobility flows. Methodology: using hospital inpatient records of all public hospitals around Kerman province during 2011, we run logit models that compare patients who were admitted in hospital and received health services in cities where they lived and patients received them out of their local hospitals. We studied 21 patient groups according to ICD10 chapters (Appendix 1) to compute the effect of geographic distance, kind of insurance, number of physiccians involved, hospital bed and patient demographic factors. Results: About 40 percent of hospital admissions in Kerman are emigrant patients that quality or quantity of local provided services didn’t satisfy. Constant negative coefficients of geographic distance, hospitals physician and bed and positive coefficients for insurance in all groups do not show any difference in patient migration, between groups. Discussion: According to results of this research, existence of local services, distance, kind of illness and other factors are not more important than patients’ feeling about services in their migration. Paying no attention to this reality in planning health system reforms, especially referral systems, leads to important problems for health system in equity, patient satisfaction and finance aspects.展开更多
Coupled thermo-hydro-mechanical(THM)processes in fractured rock are playing a crucial role in geoscience and geoengineering applications.Diverse and conceptually distinct approaches have emerged over the past decades ...Coupled thermo-hydro-mechanical(THM)processes in fractured rock are playing a crucial role in geoscience and geoengineering applications.Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling.This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions.By comparing various models,one can better assess the uncertainties in predictions,particularly those related to the conceptual models.The review explores how these methodologies have significantlyenhanced the fundamental understanding of how fractures respond to fluid injection and production,and improved predictive capabilities pertaining to coupled processes within fractured systems.It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience.The selection and calibration of model parameters should be based on typical ranges and applied to the specificconditions of applications.The challenges arising from inherent heterogeneity and uncertainties,nonlinear THM coupled processes,scale dependence,and computational limitations in representing fieldscale fractures are discussed.Realizing potential advances on computational capacity calls for methodical conceptualization,mathematical modeling,selection of numerical solution strategies,implementation,and calibration to foster simulation outcomes that intricately reflectthe nuanced complexities of geological phenomena.Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical fieldof study.展开更多
Isogeometric analysis(IGA),an approach that integrates CAE into conventional CAD design tools,has been used in structural optimization for 10 years,with plenty of excellent research results.This paper provides a compr...Isogeometric analysis(IGA),an approach that integrates CAE into conventional CAD design tools,has been used in structural optimization for 10 years,with plenty of excellent research results.This paper provides a comprehensive review on isogeometric shape and topology optimization,with a brief coverage of size optimization.For isogeometric shape optimization,attention is focused on the parametrization methods,mesh updating schemes and shape sensitivity analyses.Some interesting observations,e.g.the popularity of using direct(differential)method for shape sensitivity analysis and the possibility of developing a large scale,seamlessly integrated analysis-design platform,are discussed in the framework of isogeometric shape optimization.For isogeometric topology optimization(ITO),we discuss different types of ITOs,e.g.ITO using SIMP(Solid Isotropic Material with Penalization)method,ITO using level set method,ITO using moving morphable com-ponents(MMC),ITO with phase field model,etc.,their technical details and applications such as the spline filter,multi-resolution approach,multi-material problems and stress con-strained problems.In addition to the review in the last 10 years,the current developmental trend of isogeometric structural optimization is discussed.展开更多
The buoyant Marangoni convection heat transfer in a differentially heated cavity is numerically studied. The cavity is filled with water-Ag, water-Cu, water-Al2O3, and water-TiO2 nanofiuids. The governing equations ar...The buoyant Marangoni convection heat transfer in a differentially heated cavity is numerically studied. The cavity is filled with water-Ag, water-Cu, water-Al2O3, and water-TiO2 nanofiuids. The governing equations are based on the equations involving the stream function, vorticity, and temperature. The dimensionless forms of the governing equations are solved by the finite difference （FD） scheme consisting of the alternating direction implicit （ADI） method and the tri-diagonal matrix algorithm （TDMA）. It is found that the increase in the nanoparticle concentration leads to the decrease in the flow rates in the secondary cells when the convective thermocapillary and the buoyancy force have similar strength. A critical Marangoni number exists, below which increasing the Marangoni number decreases the average Nusselt number, and above which increasing the Marangoni number increases the average Nusselt number. The nanoparticles play a crucial role in the critical Marangoni number.展开更多
The title compound was synthesized by the base catalyzed reaction of 5-（（quinolin- 8-yloxy）methyl）-1,3,4-oxadiazole-2（3H）-thione with methyl chloroacetate. The structure was supported by the spectroscopic data a...The title compound was synthesized by the base catalyzed reaction of 5-（（quinolin- 8-yloxy）methyl）-1,3,4-oxadiazole-2（3H）-thione with methyl chloroacetate. The structure was supported by the spectroscopic data and unambiguously confirmed by single-crystal X-ray diffraction studies. It crystallizes from a methanol solution in the triclinic space group Pi with unit cell dimensions a = 7.4509（9）, b = 10.2389（12）, c = 12.2299（15）A, a = 74.771（2）, β = 77.956（2）, 7 = 69.263（2）°, V = 834.98（17） A3 and Z = 2. In order to gain some valuable insights into the molecular structure, the quantum mechanical calculations were performed using both HF and time-dependent density functional theory at the B3LYP/6-31G（d,p） level. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock （HF） and density functional theory （DFT） with the 6-31G（d） basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound was examined using the B3LYP method with the 6-31G（d） basis set. The harmonic vibrational frequencies calculated have been compared with the experimental FTIR and FT-Raman spectra. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance （NMR） calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of the title compound. Moreover, molecular electrostatic potential and thermodynamic parameters of the title compound were investigated by theoretical calculations.展开更多
Photoinduced electron transfer(PET)is a critical process in many functional materials,underpinning various technological applications(i.e.,fluorescent probes and photocatalysts).Despite its signifi-cance,the detailed ...Photoinduced electron transfer(PET)is a critical process in many functional materials,underpinning various technological applications(i.e.,fluorescent probes and photocatalysts).Despite its signifi-cance,the detailed structural dynamics of PET,particularly during the excited state,remain poorly understood.This study investigates the mechanisms of conformational folding and their implications for activating PET in molecular systems characterized by a fluorophore-spacer-receptor configuration.We demonstrate that traditional computational models,primarily based on frontier molecular orbitals,often fall short in capturing these conformational dynamics,leading to inadequate explanations of PET phenomena.With the incorporation of conformational folding,our computational model has achieved excellent agreement with experimental data,thereby resolving several long-standing debates on PET mechanisms.This mechanistic advancement not only deepens our understanding of PET but also opens new avenues for designing advanced functional materials.We have thus successfully demonstrated the imaging of lysosomes in live cells using a PET probe.展开更多
Accumulating evidence strongly suggests that cell chirality plays a pivotal role in driving left-right(LR)symmetry breaking,a widespread phenomenon in living organisms.Whole embryos and excised organs have historicall...Accumulating evidence strongly suggests that cell chirality plays a pivotal role in driving left-right(LR)symmetry breaking,a widespread phenomenon in living organisms.Whole embryos and excised organs have historically been employed to investigate LR symmetry breaking and have yielded exciting findings.In recent years,in vitro engineered platforms have emerged as powerful tools to reveal cellular chiral biases and led to uncovering molecular and biophysical insights into chiral morphogenesis,including the significant role of the actin cytoskeleton.Establishing a link between observed in vivo tissue chiral morphogenesis and the determined chiral bias of cells in vitro has become increasingly important.In this regard,computational mathematical models hold immense value as they can explain and predict tissue morphogenic behavior based on the chiral biases of individual cells.Here,we present the formulations and discoveries achieved using various computational models spanning different biological scales,from the molecular and cellular levels to tissue and organ levels.Furthermore,we offer insights into future directions and the role of such models in advancing the study of asymmetric cellular mechanobiology.展开更多
The Hébraud-Lequeux model is a model describing the flow of soft glassy material in a simple shear flow configuration.It is given by a kinetic/Fokker-Planck-type equation whose coefficients depend on the shear ra...The Hébraud-Lequeux model is a model describing the flow of soft glassy material in a simple shear flow configuration.It is given by a kinetic/Fokker-Planck-type equation whose coefficients depend on the shear rate of the experiment.In this paper we want to study what happens to the stationary solutions of this model when the shear rate is asymptotically large.In order to do that,we expand the solution of the equation using singular perturbation tools.In the end,we rigorously prove the estimate of Hébraud and Lequeux that the material asymptotically behaves as a Newtonian fluid.展开更多
The H@braud-Lequeux model is a model describing the flow of soft glassy material in a simple shear flow configuration. It is given by a kinetic/Fokker-Planck-type equation whose coefficients depend on the shear rate o...The H@braud-Lequeux model is a model describing the flow of soft glassy material in a simple shear flow configuration. It is given by a kinetic/Fokker-Planck-type equation whose coefficients depend on the shear rate of the experiment. In this paper we want to study what happens to the stationary solutions of this model when the shear rate is asymptotically large. In order to do that, we expand the solution of the equation using singular perturbation tools. In the end, we rigorously prove the estimate of Hebraud and Lequeux that the material asymptotically behaves as a Newtonian fluid.展开更多
文摘Introduction: Adequate information about patient using health care facilities is a critical element in planning activities and allocation resources in health sector. In Iran, with performing family physician plan and attempt to reform referral system, the study of mobility of patients between regions (patient migration) has more importance. The aims of the study are: 1) to describe patients’ migration across cities of Iranian Kerman province;2) to analyze the role of possible determinants affecting the mobility flows. Methodology: using hospital inpatient records of all public hospitals around Kerman province during 2011, we run logit models that compare patients who were admitted in hospital and received health services in cities where they lived and patients received them out of their local hospitals. We studied 21 patient groups according to ICD10 chapters (Appendix 1) to compute the effect of geographic distance, kind of insurance, number of physiccians involved, hospital bed and patient demographic factors. Results: About 40 percent of hospital admissions in Kerman are emigrant patients that quality or quantity of local provided services didn’t satisfy. Constant negative coefficients of geographic distance, hospitals physician and bed and positive coefficients for insurance in all groups do not show any difference in patient migration, between groups. Discussion: According to results of this research, existence of local services, distance, kind of illness and other factors are not more important than patients’ feeling about services in their migration. Paying no attention to this reality in planning health system reforms, especially referral systems, leads to important problems for health system in equity, patient satisfaction and finance aspects.
基金funding from the European Research Council(ERC)under the European Union’s Horizon 2020 Research and Innovation Program through the Starting Grant GEoREST(grant agreement No.801809)support by MICIU/AEI/10.13039/501100011033 and by"European Union Next Generation EU/PRTR"through the‘Ramón y Cajal’fellowship(reference RYC2021-032780-I)+9 种基金funding by MICIU/AEI/10.13039/501100011033 and by“ERDF,EU”through the‘HydroPoreII’project(reference PID2022-137652NBC44)support by the Institute for Korea Spent Nuclear Fuel(iKSNF)National Research Foundation of Korea(NRF)grant funded by the Korea government(Ministry of Science and ICT,MSIT)(2021M2E1A1085196)support by the Swedish Radiation Safety(SSM),Swedish Transport Administration(Trafikverket),Swedish Rock Engineering Foundation(BeFo),and Nordic Energy Research(Grant 187658)supported by the US Department of Energy(DOE),the Officeof Nuclear Energy,Spent Fuel and Waste Science and Technology Campaign,and by the US Department of Energy(DOE),the Office of Basic Energy Sciences,Chemical Sciences,Geosciences,and Biosciences Division both under Contract Number DE-AC02-05CH11231 with Lawrence Berkeley National Laboratorysupport from the US National Science Foundation(grant CMMI-2239630)funding from the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation programme(grant agreement No.101002507)the UK Natural Environment Research Council(NERC)for funding SeisGreen Project(Grant No.NE/W009293/1)which supported this workthe Royal Society UK for supporting this research through fellowship UF160443IMEDEA is an accredited"Maria de Maeztu Excellence Unit"(Grant CEX2021-001198,funded by MICIU/AEI/10.13039/501100011033).
文摘Coupled thermo-hydro-mechanical(THM)processes in fractured rock are playing a crucial role in geoscience and geoengineering applications.Diverse and conceptually distinct approaches have emerged over the past decades in both continuum and discontinuum perspectives leading to significant progress in their comprehending and modeling.This review paper offers an integrated perspective on existing modeling methodologies providing guidance for model selection based on the initial and boundary conditions.By comparing various models,one can better assess the uncertainties in predictions,particularly those related to the conceptual models.The review explores how these methodologies have significantlyenhanced the fundamental understanding of how fractures respond to fluid injection and production,and improved predictive capabilities pertaining to coupled processes within fractured systems.It emphasizes the importance of utilizing advanced computational technologies and thoroughly considering fundamental theories and principles established through past experimental evidence and practical experience.The selection and calibration of model parameters should be based on typical ranges and applied to the specificconditions of applications.The challenges arising from inherent heterogeneity and uncertainties,nonlinear THM coupled processes,scale dependence,and computational limitations in representing fieldscale fractures are discussed.Realizing potential advances on computational capacity calls for methodical conceptualization,mathematical modeling,selection of numerical solution strategies,implementation,and calibration to foster simulation outcomes that intricately reflectthe nuanced complexities of geological phenomena.Future research efforts should focus on innovative approaches to tackle the hurdles and advance the state-of-the-art in this critical fieldof study.
基金This work was supported by National Natural Science Foundation of China(51705158)the Fundamental Research Funds for the Central Universities(2018MS45)Open Funds of National Engineering Research Center of Near-Net-Shape Forming for Metallic Materials(2018005).
文摘Isogeometric analysis(IGA),an approach that integrates CAE into conventional CAD design tools,has been used in structural optimization for 10 years,with plenty of excellent research results.This paper provides a comprehensive review on isogeometric shape and topology optimization,with a brief coverage of size optimization.For isogeometric shape optimization,attention is focused on the parametrization methods,mesh updating schemes and shape sensitivity analyses.Some interesting observations,e.g.the popularity of using direct(differential)method for shape sensitivity analysis and the possibility of developing a large scale,seamlessly integrated analysis-design platform,are discussed in the framework of isogeometric shape optimization.For isogeometric topology optimization(ITO),we discuss different types of ITOs,e.g.ITO using SIMP(Solid Isotropic Material with Penalization)method,ITO using level set method,ITO using moving morphable com-ponents(MMC),ITO with phase field model,etc.,their technical details and applications such as the spline filter,multi-resolution approach,multi-material problems and stress con-strained problems.In addition to the review in the last 10 years,the current developmental trend of isogeometric structural optimization is discussed.
基金Project supported by the Fundamental Research Grant Scheme of the Ministry of Education of Malaysia(No.FRGS/1/2014/SG04/UKM/01/1)the Dana Impak Perdana of Universiti Kebangsaan Malaysia(No.DIP-2014-015)
文摘The buoyant Marangoni convection heat transfer in a differentially heated cavity is numerically studied. The cavity is filled with water-Ag, water-Cu, water-Al2O3, and water-TiO2 nanofiuids. The governing equations are based on the equations involving the stream function, vorticity, and temperature. The dimensionless forms of the governing equations are solved by the finite difference （FD） scheme consisting of the alternating direction implicit （ADI） method and the tri-diagonal matrix algorithm （TDMA）. It is found that the increase in the nanoparticle concentration leads to the decrease in the flow rates in the secondary cells when the convective thermocapillary and the buoyancy force have similar strength. A critical Marangoni number exists, below which increasing the Marangoni number decreases the average Nusselt number, and above which increasing the Marangoni number increases the average Nusselt number. The nanoparticles play a crucial role in the critical Marangoni number.
文摘The title compound was synthesized by the base catalyzed reaction of 5-（（quinolin- 8-yloxy）methyl）-1,3,4-oxadiazole-2（3H）-thione with methyl chloroacetate. The structure was supported by the spectroscopic data and unambiguously confirmed by single-crystal X-ray diffraction studies. It crystallizes from a methanol solution in the triclinic space group Pi with unit cell dimensions a = 7.4509（9）, b = 10.2389（12）, c = 12.2299（15）A, a = 74.771（2）, β = 77.956（2）, 7 = 69.263（2）°, V = 834.98（17） A3 and Z = 2. In order to gain some valuable insights into the molecular structure, the quantum mechanical calculations were performed using both HF and time-dependent density functional theory at the B3LYP/6-31G（d,p） level. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock （HF） and density functional theory （DFT） with the 6-31G（d） basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound was examined using the B3LYP method with the 6-31G（d） basis set. The harmonic vibrational frequencies calculated have been compared with the experimental FTIR and FT-Raman spectra. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance （NMR） calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of the title compound. Moreover, molecular electrostatic potential and thermodynamic parameters of the title compound were investigated by theoretical calculations.
基金supported by the Ministry of Education,Singapore(MOE-T2EP10222-0001)the Singapore University of Technology and Design(SUTD)Kickstarter Initiative(No.SKI 2021_04_09)+1 种基金the National Natural Science Foundation of China(22225806,22078314,22278394,and 22378385)the Dalian Institute of Chemical Physics(DICPI202142 and DICPI202436).
文摘Photoinduced electron transfer(PET)is a critical process in many functional materials,underpinning various technological applications(i.e.,fluorescent probes and photocatalysts).Despite its signifi-cance,the detailed structural dynamics of PET,particularly during the excited state,remain poorly understood.This study investigates the mechanisms of conformational folding and their implications for activating PET in molecular systems characterized by a fluorophore-spacer-receptor configuration.We demonstrate that traditional computational models,primarily based on frontier molecular orbitals,often fall short in capturing these conformational dynamics,leading to inadequate explanations of PET phenomena.With the incorporation of conformational folding,our computational model has achieved excellent agreement with experimental data,thereby resolving several long-standing debates on PET mechanisms.This mechanistic advancement not only deepens our understanding of PET but also opens new avenues for designing advanced functional materials.We have thus successfully demonstrated the imaging of lysosomes in live cells using a PET probe.
基金supported by the National Institutes of Health(R01HL148104 and R01GM141387 to LQW).
文摘Accumulating evidence strongly suggests that cell chirality plays a pivotal role in driving left-right(LR)symmetry breaking,a widespread phenomenon in living organisms.Whole embryos and excised organs have historically been employed to investigate LR symmetry breaking and have yielded exciting findings.In recent years,in vitro engineered platforms have emerged as powerful tools to reveal cellular chiral biases and led to uncovering molecular and biophysical insights into chiral morphogenesis,including the significant role of the actin cytoskeleton.Establishing a link between observed in vivo tissue chiral morphogenesis and the determined chiral bias of cells in vitro has become increasingly important.In this regard,computational mathematical models hold immense value as they can explain and predict tissue morphogenic behavior based on the chiral biases of individual cells.Here,we present the formulations and discoveries achieved using various computational models spanning different biological scales,from the molecular and cellular levels to tissue and organ levels.Furthermore,we offer insights into future directions and the role of such models in advancing the study of asymmetric cellular mechanobiology.
基金supported by the FP7-REGPOT-2009-1 project"Archimedes Center for Modeling,Analysis and Computation"by the ANR-08-SYSC-010 project "Maniphyc"
文摘The Hébraud-Lequeux model is a model describing the flow of soft glassy material in a simple shear flow configuration.It is given by a kinetic/Fokker-Planck-type equation whose coefficients depend on the shear rate of the experiment.In this paper we want to study what happens to the stationary solutions of this model when the shear rate is asymptotically large.In order to do that,we expand the solution of the equation using singular perturbation tools.In the end,we rigorously prove the estimate of Hébraud and Lequeux that the material asymptotically behaves as a Newtonian fluid.
文摘The H@braud-Lequeux model is a model describing the flow of soft glassy material in a simple shear flow configuration. It is given by a kinetic/Fokker-Planck-type equation whose coefficients depend on the shear rate of the experiment. In this paper we want to study what happens to the stationary solutions of this model when the shear rate is asymptotically large. In order to do that, we expand the solution of the equation using singular perturbation tools. In the end, we rigorously prove the estimate of Hebraud and Lequeux that the material asymptotically behaves as a Newtonian fluid.
