Recent Advances in Mechanistic Understanding of Metal-Free Carbon Thermocatalysis and Electrocatalysis with Model Molecules

Metal-free carbon,as the most representative heterogeneous metal-free catalysts,have received considerable interests in electro-and thermo-catalytic reac-tions due to their impressive performance and sustainability.Over the past decade,well-designed carbon catalysts with tunable structures and heteroatom groups coupled with various characterization techniques have proposed numerous reaction mechanisms.However,active sites,key intermediate species,precise structure-activity relationships and dynamic evolution processes of carbon catalysts are still rife with controversies due to the monotony and limitation of used experimental methods.In this Review,we sum-marize the extensive efforts on model catalysts since the 2000s,particularly in the past decade,to overcome the influences of material and structure limitations in metal-free carbon catalysis.Using both nanomolecule model and bulk model,the real contribution of each alien species,defect and edge configuration to a series of fundamentally important reactions,such as thermocatalytic reactions,electrocatalytic reactions,were systematically studied.Combined with in situ techniques,isotope labeling and size control,the detailed reaction mechanisms,the precise 2D structure-activity relationships and the rate-determining steps were revealed at a molecular level.Furthermore,the outlook of model carbon catalysis has also been proposed in this work.

Dynamic response of mountain tunnel,bridge,and embankment along the Sichuan-Tibet transportation corridor to active fault based on model tests

The Sichuan-Tibet transportation corridor is prone to numerous active faults and frequent strong earthquakes.While extensive studies have individually explored the effect of active faults and strong earthquakes on different engineering structures,their combined effect remains unclear.This research employed multiple physical model tests to investigate the dynamic response of various engineering structures,including tunnels,bridges,and embankments,under the simultaneous influence of cumulative earthquakes and stick-slip misalignment of an active fault.The prototype selected for this study was the Kanding No.2 tunnel,which crosses the Yunongxi fault zone within the Sichuan-Tibet transportation corridor.The results demonstrated that the tunnel,bridge,and embankment exhibited amplification in response to the input seismic wave,with the amplification effect gradually decreasing as the input peak ground acceleration(PGA)increased.The PGAs of different engineering structures were weakened by the fault rupture zone.Nevertheless,the misalignment of the active fault may decrease the overall stiffness of the engineering structure,leading to more severe damage,with a small contribution from seismic vibration.Additionally,the seismic vibration effect might be enlarged with the height of the engineering structure,and the tunnel is supposed to have a smaller PGA and lower dynamic earth pressure compared to bridges and embankments in strong earthquake zones crossing active faults.The findings contribute valuable insights for evaluating the dynamic response of various engineering structures crossing an active fault and provide an experimental reference for secure engineering design in the challenging conditions of the Sichuan-Tibet transportation corridor.

Analysis of the interaction between bolt-reinforced rock and surface support in tunnels based on convergence-confinement method

To investigate the interaction of the bolt-reinforced rock and the surface support,an analytical model of the convergence-confinement type is proposed,considering the sequential installation of the fully grouted rockbolts and the surface support.The rock mass is assumed to be elastic-brittle-plastic material,obeying the linear Mohr-Coulomb criterion or the non-linear Hoek-Brown criterion.According to the strain states of the tunnel wall at bolt and surface support installation and the relative magnitude between the bolt length and the plastic depth during the whole process,six cases are categorized upon solving the problem.Each case is divided into three stages due to the different effects of the active rockbolts and the passive surface support.The fictitious pressure is introduced to quantify the threedimensional(3D)effect of the tunnel face,and thus,the actual physical location along the tunnel axis of the analytical section can be considered.By using the bolt-rock strain compatibility and the rocksurface support displacement compatibility conditions,the solutions of longitudinal tunnel displacement and the reaction pressure of surface support along the tunnel axis are obtained.The proposed analytical solutions are validated by a series of 3D numerical simulations.Extensive parametric studies are conducted to examine the effect of the typical parameters of rockbolts and surface support on the tunnel displacement and the reaction pressure of the surface support under different rock conditions.The results show that the rockbolts are more effective in controlling the tunnel displacement than the surface support,which should be installed as soon as possible with a suitable length.For tunnels excavated in weak rocks or with restricted displacement control requirements,the surface support should also be installed or closed timely with a certain stiffness.The proposed method provides a convenient alternative approach for the optimization of rockbolts and surface support at the preliminary stage of tunnel design.

Influence of Human Activity Intensity on Habitat Quality in Hainan Tropical Rainforest National Park,China

Due to long-term human activity interference,the Hainan Tropical Rainforest National Park(HTRNP)of China has experienced ecological problems such as habitat fragmentation and biodiversity loss,and with the expanding scope and intensity of human activity impact,the regional ecological security is facing serious challenges.A scientific assessment of the interrelationship between human activity intensity and habitat quality in the HTRNP is a prerequisite for achieving effective management of ecological disturbances caused by human activities and can also provide scientific strategies for the sustainable development of the region.Based on the land use change data in 2000,2010,and 2020,the spatial and temporal variations and the relationship between habitat quality(HQ)and human activity intensity(HAI)in the HTRNP were explored using the integrated valuation of ecosystem services and trade-offs(InVEST)model.System dynamics and land use simulation models were also combined to conduct multi-scenario simulations of their relationships.The results showed that during 2000–2020,the habitat quality of the HTRNP improved,the intensity of human activities decreased each year,and there was a negative correlation between the two.Second,the system dynamic model could be well coupled with the land use simulation model by combining socio-economic and natural factors.The simulation scenarios of the coupling model showed that the harmonious development(HD)scenario is effective in curbing the increasing trend of human activity intensity and decreasing trend of habitat quality,with a weaker trade-off between the two compared with the baseline development(BD)and investment priority oriented(IPO)scenarios.To maintain the authenticity and integrity of the HTRNP,effective measures such as ecological corridor construction,ecological restoration,and the implementation of ecological compensation policies need to be strengthened.

Description of martensitic transformation kinetics in Fe-C-X(X = Ni,Cr,Mn,Si) system by a modified model

Controlling the content of athermal martensite and retained austenite is important to improving the mechanical properties of high-strength steels,but a mechanism for the accurate description of martensitic transformation during the cooling process must be addressed.At present,frequently used semi-empirical kinetics models suffer from huge errors at the beginning of transformation,and most of them fail to exhibit the sigmoidal shape characteristic of transformation curves.To describe the martensitic transformation process accurately,based on the Magee model,we introduced the changes in the nucleation activation energy of martensite with temperature,which led to the varying nucleation rates of this model during martensitic transformation.According to the calculation results,the relative error of the modified model for the martensitic transformation kinetics curves of Fe-C-X(X = Ni,Cr,Mn,Si) alloys reached 9.5% compared with those measured via the thermal expansion method.The relative error was approximately reduced by two-thirds compared with that of the Magee model.The incorporation of nucleation activation energy into the kinetics model contributes to the improvement of its precision.

Associations of daily sedentary behavior,physical activity,and sleep with irritable bowel syndrome:A prospective analysis of 362,193 participants

Background:Irritable bowel syndrome(IBS)substantially affects quality of life and requires early prevention.This study aimed to elucidate the relationships between IBS and daily behaviors,including sedentary behavior(SB),physical activity(PA),and sleep.In particular,it seeks to identify healthy behaviors to reduce IBS risk,which previous studies have rarely addressed.Methods:Daily behaviors were retrieved from self-reported data of 362,193 eligible UK Biobank participants.Incident cases were determined by self-report or health care data according to RomeⅣcriteria.Results:A total of 345,388 participants were IBS-free at baseline,during a median follow-up of 8.45 years,19,885 incident IBS cases were recorded.When examined individually,SB and shorter(≤7 h/day)or longer(>7 h/day)sleep duration were each positively associated with increased IBS risk,and PA was associated with lower IBS risk.The isotemporal substitution model suggested that replacing SB with other activities could provide further protective effects against IBS risk.Among people sleeping≤7 h/day,replacing 1 h of SB with equivalent light PA,vigorous PA,or sleep was associated with 8.1%(95%confidence interval(95%CI):0.901-0.937),5.8%(95%CI:0.896-0.991),and 9.2%(95%CI:0.885-0.932)reduced IBS risk,respectively.For people sleeping>7 h/day,light and vigorous PA were associated with a 4.8%(95%CI:0.926-0.978)and a 12.0%(95%CI:0.815-0.949)lower IBS risk,respectively.These benefits were mostly independent of genetic risk for IBS.Conclusion:SB and unhealthy sleep duration are risk factors for IBS.A promising way to mitigate IBS risk for individuals sleeping≤7 h/day and for those sleeping>7 h/day appears to be by replacing SB with adequate sleep or vigorous PA,respectively,regardless of the genetic predisposition of IBS.

Response of Bacterial Community and Enzyme Activity of Greenhouse Tomato under Different Irrigation Systems

The micro-sprinkler irrigation mulched(MSM)has been suggested as a novel water-saving approach in con-trolled environment agriculture.However,the effects of microbial community structure and enzyme activity in the rhizosphere soil on crop growth under MSM remain unclear.This study conducted a randomized experimen-tal design using greenhouse tomatoes to investigate changes in bacterial community structure and enzyme activity in rhizosphere soil under different irrigation frequencies(F)and amounts(I)of MSM.Thefindings revealed that with the increase of F or I,The total count of soil bacteria in tomatoesfirst rose and then fell in terms of Opera-tional Taxonomic Units(OTUs)classification.Compared to other F,the most abundance of nitrogen and phos-phorus metabolism genes and enzyme activities were observed with a 5-day F.Moreover,the diversity of soil bacterial community structure initially rose before eventually declining with the increase of the I.Applying 1.00 Epan(cumulative evaporation of a 20 cm standard pan)under MSM helped boost the abundance of nitrogen and phosphorus metabolism functional genes in soil bacteria,ensuring higher enzyme activities related to nitro-gen,carbon,and phosphorus metabolism in the rhizosphere soil of tomatoes.Tomatoes’yield initially rose before eventually declining with the increase in F or I,whereas I had a more significant effect on yield.A 1.00%increase in I yielded a minimum of 39.24%increase in tomato yield.The study showed a positive correlation between soil bacterial community,soil enzyme activity,and greenhouse tomato yield under MSM.Considering the results comprehensively,the combined irrigation mode of F of 5 d and I of 1.00 Epan was recommended for greenhouse tomatoes under MSM.This conclusion provides theoretical support for water-saving practices and yield improve-ment in facility agriculture,especially tomato cultivation.

Promoting sustainable consumption and circular economy:the intention of Vietnamese youth consumers to purchase products made from recycled plastics

Recycling is viewed as a key component in a circular economy and serves as an ideal solution for promoting sustainability.During the global plastic crisis,plastic recycling practices have been adopted worldwide,leading to the production of various products made from recycled plastics(PRP).Nevertheless,a gap persists between consumption and demand for such products,which is primarily attributed to a lack of comprehension from the consumer perspective.Given the pivotal role consumers play in the adoption of these products,this study explores consumers’intentions to purchase PRP.This is particularly significant in Vietnam,which is an emerging economy aspiring to achieve the objectives of a circular economy and sustainable development.Utilizing an integrated cognitive-emotional framework comprising the Valence Theory and the Norm Activation Model,data from 564 Vietnamese students were gathered and analyzed using structural equation modeling.The results show that awareness of consequences is a major driver of consumer purchase intentions,followed by perceived ease of application and monetary incentives.The results also indicate that health concerns have the strongest effect on purchase intention and in the negative side,meaning that the health-related risk is the primary concern for consumers during the decision-making process.This research holds substantial value for academics and managers,as it aids in the theoretical exploration and the formulation of strategies to improve consumer acceptance of PRP.

Molecular Dynamics, Physical Properties, Diffusion Coefficients and Activation Energy of the Lithium Oxide (Li-O) and Sodium Oxide (Na-O) Electrolyte (Cathode)

This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied a gap-free model using molecular dynamics. Physical quantities such as volume and pressure of the Na-O and Li-O systems exhibit similar behaviors around the thermodynamic ensembles NPT and NVE. However, for the Na2O system, at a minimum temperature value, we observe a range of total energy values;in contrast, for the Li2O system, a minimum energy corresponds to a range of temperatures. Finally, for physicochemical properties, we studied the diffusion coefficient and activation energy of lithium and potassium oxides around their melting temperatures. The order of magnitude of the diffusion coefficients is given by the relation Dli-O >DNa-O for the multiplicity 8*8*8, while for the activation energy, the order is well reversed EaNa-O > EaLi-O.

On the Teaching Design of Graduates’EAP Course:Enhancing Language Proficiency and Critical Thinking Skills

This paper explores the integration of the bridge-in,objectives,pre-assessment,participatory activities,post-assessment and summary(BOPPPS)teaching model within the context of the post-graduates Academic English course.It discusses how this structured approach can effectively enhance students’language proficiency,foster critical thinking skills,and align with the multifaceted objectives of advanced English language education.The study provides a detailed examination of each BOPPPS component as applied to the post-graduates Academic English curriculum,supported by theoretical underpinnings and practical implications.

Application of a hospital–community–family trinity rehabilitation nursing model combined with motor imagery therapy in patients with cerebral infarction

BACKGROUND Rehabilitation nursing is considered an indispensable part of the cerebral infarction treatment system.The hospital–community–family trinity rehabilitation nursing model can provide continuous nursing services across hospitals,communities,and families for patients.AIM To explore the application of a hospital–community–family rehabilitation nursing model combined with motor imagery therapy in patients with cerebral infarction.METHODS From January 2021 to December 2021,88 patients with cerebral infarction were divided into a study(n=44)and a control(n=44)group using a simple random number table.The control group received routine nursing and motor imagery therapy.The study group was given hospital–community–family trinity rehabilitation nursing based on the control group.Motor function(FMA),balance ability(BBS),activities of daily living(BI),quality of life(SS-QOL),activation status of the contralateral primary sensorimotor cortical area to the affected side,and nursing satisfaction were evaluated before and after intervention in both groups.RESULTS Before intervention,FMA and BBS were similar(P>0.05).After 6 months’intervention,FMA and BBS were significantly higher in the study than in the control group(both P<0.05).Before intervention,BI and SS-QOL scores were not different between the study and control group(P>0.05).However,after 6months’intervention,BI and SS-QOL were higher in the study than in the control group(P<0.05).Before intervention,activation frequency and volume were similar between the study and the control group(P>0.05).After 6 months’intervention,the activation frequency and volume were higher in the study than in the control group(P<0.05).The reliability,empathy,reactivity,assurance,and tangibles scores for quality of nursing service were higher in the study than in the control group(P<0.05).CONCLUSION Combining a hospital–community–family trinity rehabilitation nursing model and motor imagery therapy enhances the motor function and balance ability of patients with cerebral infarction,improving their quality of life.

Coupling of the Calculated Freezing and Thawing Front Parameterization in the Earth System Model CAS-ESM

The soil freezing and thawing process affects soil physical properties,such as heat conductivity,heat capacity,and hydraulic conductivity in frozen ground regions,and further affects the processes of soil energy,hydrology,and carbon and nitrogen cycles.In this study,the calculation of freezing and thawing front parameterization was implemented into the earth system model of the Chinese Academy of Sciences(CAS-ESM)and its land component,the Common Land Model(CoLM),to investigate the dynamic change of freezing and thawing fronts and their effects.Our results showed that the developed models could reproduce the soil freezing and thawing process and the dynamic change of freezing and thawing fronts.The regionally averaged value of active layer thickness in the permafrost regions was 1.92 m,and the regionally averaged trend value was 0.35 cm yr–1.The regionally averaged value of maximum freezing depth in the seasonally frozen ground regions was 2.15 m,and the regionally averaged trend value was–0.48 cm yr–1.The active layer thickness increased while the maximum freezing depth decreased year by year.These results contribute to a better understanding of the freezing and thawing cycle process.

Relationships between Features of EmergingAdulthood, Situated Decisions toward PhysicalActivity, and Physical Activity among CollegeStudents: The Moderating Role of ExerciseIntensity Tolerance

A significant portion of emerging adults do not achieve recommended levels of physical activity (PA). Previous studies observedassociations between features of emerging adulthood and PA levels, while the potential psychological mechanisms that mightexplain this phenomenon are not fully understood. In this context, there is some evidence that situated decisions towardphysical activity (SDPA) and exercise-intensity tolerance might influence PA level. To provide empirical support for thisassumption, the current study investigated whether (i) features of emerging adulthood are linked to SDPA, which, in turn,might affect PA engagement;(ii) exercise-intensity tolerance moderate the relationship between SDPA and PA level;and (iii)SDPA is a mediator of the relationship between features of emerging adulthood and PA levels under the prerequisite thatexercise-intensity tolerance moderates the link between SDPA and PA engagement. In this study a group of 1,706 Chinesecollege students was recruited and asked to complete a set of questionnaires assessing their SDPA, PA levels, exercise-intensitytolerance, and features associated with emerging adulthood, namely Self-exploration, Instability, and Possibility. Our resultsindicated that SDPA positively predicted PA levels and this relationship became stronger when exercise-intensity tolerance wasused as a moderator. Furthermore, it was observed that individuals with a higher level of Instability and a lower level ofPossibility during emerging adulthood exhibited a lower level of SDPA. Taken together, the results of our study providefurther insights on a potential psychological mechanism linking features of emerging adulthood and physical activity.

Thermodynamic model of lead oxide activity in PbO-CaO-SiO_2-FeO-Fe_2O_3 slag system

According to the ion and molecule coexistence theory, a thermodynamic model of lead oxide activity in PbO-CaO-SiO2-FeO-Fe2O3 slag system was established at the temperature of 1273-1733 K. The activities of Pb O in slag were calculated, and their equal activity curves were plotted. The influences of slag basicity Q, iron oxide rate R and temperature T on activity NPb O and activity coefficient γPbO were also investigated. Results show that the calculated values of γPb O are in good agreement with the reported experimental data, showing that the model can wholly embody the slag structural characteristics. NPbO departures positively from Raoult values, and increases with increasing Pb O content in slag but changes little with T. γPbO increases with increasing Q, and goes through the maximum with increasing R for basic slag（Q0.3）. Results can be applied to the thermodynamic research and operational optimization of modern lead smelting technologies.

Proposing a novel geo-structural model for Torbat-e-Jam-Fariman plain(Northeast of Iran),based on Geomorphic indices calculation,conjugating the field evidences

There are various faults in northern and southern margins of Torbat-e-Jam-Fariman plain which show the probability of enormous earthquake in the future.In present study the geomorphic indices contain Asymmetry Function(Af),Sinuosity of mountain front(Smf),Valley floor index(Vf),Hypsometric index(Hi),Mean Axial slope of channel index(MASC)and Drainage Basin Shape(Bs),have been utilized to determine the relative tectonic activity index(IAT)to recognize,eventually,the geo-structural model of the study area.Faults and folds control the geo-structural activities of the study area,and the geomorphic indices are being affected in consequence of their activities.The intensity of these activities is different throughout the plain.There are many geomorphic evidences,related to active transform fault which are detectable all over the study area such as deviated rivers,quaternary sediments transformation,fault traces.Therefore,recognition of geo-structural model of the study area is extremely vital.Field study,then,approved the results of geomorphic indices calculation in determining the geo-structural model of the study area.Results depicted that the geostructural model of the study area is a kind of Horsetail splay form which is in accordance to the relative tectonic activity of the study area.Based on the above mentioned results it can be predicted that the splays are the trail of Neyshabour fault.

Assessing the dynamics of human activity intensity and its natural and socioeconomic determinants in Qinghai-Tibet Plateau

Investigating the spatiotemporal variation of human activity intensity and its determinants is a crucial basis for further revealing the mechanism of human-environment interaction and optimizing the human development mode.In this study,the human activity intensity on the Qinghai-Tibet Plateau(QTP)from 1990 to 2020 was measured based on the quantitative model of land use data and the actual regional background,and the under-lying natural and socioeconomic determinants were investigated using spatial econometric methods.The results demonstrate that(1)the human activity intensity in QTP has increased by 11.96%,and there are differences in different spatial scales;the areas with high human activity intensity are distributed in the Hehuang Valley where Xining City and its surrounding areas are located,as well as the One-River and Two-River Area where Lhasa City and surrounding areas are located.(2)Human activity intensity has significant positive spatial spillover,suggesting that local changes will cause changes in the same direction in adjacent areas.(3)The human activ-ity intensity in QTP is affected by various determinants.Concerning socioeconomic factors,the economic level has no significant impact on the human activity intensity in QTP,which differs from the general regional law.Both urbanization and traffic conditions have a significant positive effect,and the impact intensity continues to increase.Concerning natural factors,topographic relief has a significant positive effect;the impacts of temper-ature and vegetation coverage have changed from insignificant to a significant positive effect;the impacts of precipitation and river network density have not been verified;there is no linear relationship between altitude and human activity intensity in the entire QTP,while it exists in local regions.Finally,this study proposes three policy implications for the realization of a more harmonious human-environment relationship in QTP.

Fixed-Bed Column Adsorption Modeling of MnO4- Ions from Acidic Aqueous Solutions on Activated Carbons Prepared with the Biomass

Activated carbons calcined at 400˚C and 600˚C (AC-400 and AC-600), prepared using palm nuts, collected in the town of Franceville in Gabon, were used to study the dynamic adsorption of MnO4- ions in acidic media on fixed bed column and on the kinetic modeling of experimental data of breakthrough curves of MnO4- ions obtained. Results on the adsorption of MnO4- ions in fixed-bed dynamics obtained on AC-400 and AC-600 adsorbents beds indicated that the AC-400 bed appears to be the most efficient in removing MnO4- ions in acidic media. Indeed, the adsorbed amounts, the adsorbed capacities at saturation and the elimination percentage of MnO4- ions obtained with AC-400 (31.24 mg;52.06 mg·g-1 and 41.65% respectively) were higher compared to those obtained with AC-600 (9.87 mg;16.45 mg·g-1 and 17.79% respectively). The breakthrough curves kinetic modeling revealed that the Thomas model and the pseudo-first-order kinetic model were the most suitable models to describe the adsorption of MnO4- ions on adsorbents studied in our experimental conditions. The results of the intraparticle diffusion model showed that intraparticle diffusion was involved in the adsorption mechanism of MnO4- ions on investigated adsorbents and was not the limiting step and the only process controlling MnO4- ions adsorption. In contrast to AC-400, the intraparticle diffusion on AC-600 bed plays an important role in the adsorption mechanism of MnO4- ions.

Does knowledge of physical activity recommendations increase physical activity among Chinese college students？ Empirical investigations based on the transtheoretical model

Background: Based on the transtheoretical model, the current study investigated whether awareness of physical activity(PA) recommendations had an impact on the stages of PA behavior change and levels of PA among Chinese college students.Methods: In Study 1, with a cross-sectional study design, 9826 students were recruited, and their knowledge of international PA recommendations,PA stage distribution, and self-reported PA level were surveyed. Pearson's χ2 test was used to test whether those participants who were aware and not aware of PA guidelines were equally distributed across the stages of PA behavior, and independent t test was conducted to test the group difference in the actual levels of PA. In Study 2, 279 students who were not aware of the PA recommendations were randomly allocated to either an intervention group or a control group, and only those in the intervention group were presented with international PA guidelines. In both groups,students' PA stages and PA level were examined before the test and then 4 months post-test. Mc Nemar's test for correlated proportions and repeated-measures analysis of variance were conducted to examine the changes in PA stage membership and PA level after the intervention.Results: Study 1 results revealed that only 4.4% of the surveyed students had correct knowledge of PA recommendations. Those who were aware of the recommendations were in later stages of PA behavior(χ~2(4) = 167.19, p < 0.001). They were also significantly more physically active than those who were not aware of the recommendations(t(443.71) = 9.00, p < 0.001, Cohen's d = 0.53). Study 2 results demonstrated that the intervention group participants who were at the precontemplation and contemplation stages at the pre-test each progressed further in the PA stages in the post-test(χ~2(1) = 112.06, p < 0.001; χ~2(1) = 118.76, p = 0.03, respectively), although no significant change in PA level was observed(t(139) < 1, p = 0.89).Conclusion: The results showed that awareness of the PA recommendations was associated with higher stages and levels of PA behavior, and a brief educational exposure to PA recommendations led to improved stages of PA behavior but no change in the levels of PA among Chinese college students. More effective public health campaign strategies are needed to promote the dissemination of the PA recommendations and to raise the awareness of the Chinese student population.

Catalytic activity of phosphorus and steam modified HZSM-5 and the theoretical selection of phosphorus grafting model

The modification of HZSM-5 zeolite with phosphorus and steam has been studied. Results show that 1% phosphorus and steam modified HZSM-5 has the highest catalytic activity for n-heptane. Physicochemical and catalytic properties of 1% phosphorus and steam modified HZSM-5 zeolites have been investigated. The X-ray diffraction （XRD） results exhibit that there is considerable variation in the relative intensity of the individual diffraction peaks. The acidity of the samples decreases with an increase in the steaming temperature, which is determined by the IR of adsorbed pyridine and temperature programmed desorption （TPD） of ammonia. The oxidation state of phosphorus shown by XPS is ＋5, and a model for surface structure modification is proposed. The nitrogen adsorption isotherm for all samples is a combination of type I and type IV, all hysteresis loops resemble the H4-type. The density functional and cluster model methods have been invoked to select the phosphorus grafting model, and it was found that the phosphorus grafting model were more probable in the form of the terminal oxygen coordinating with aluminum.

Dynamical modelling of cardiac electrical activity using bidomain approach: The effects of variation of ionic model parameters

This work presents the dynamical modelling of cardiac electrical activity using bidomain approach. It focuses on the effects of variation of the ionic model parameters on cardiac wave propagation. Cardiac electrical activity is governed by partial differential equations coupled to a system of ordinary differential equations. Numerical simulation of these equations is computationally expensive due to their non-linearity and stiffness. Nevertheless, we adopted the bidomain model due to its ability to reflect the actual cardiac wave propagation. The derived bidomain equations coupled with FitzHugh-Nagumo’s ionic equations were time-discretized using explicit forward Euler method and space-discretized using 2-D network modelling to obtain linearized equations for transmembrane potential Vm, extracellular potential φe and gating variable w. We implemented the discretized model and performed simulation experiments to study the effects of variation of ionic model parameters on the propagation of electrical wave across the cardiac tissue. Time characteristic of transmembrane potential, Vm, in the normal cardiac tissue was obtained by setting the values of ionic model parameters to 0.2, 0.2, 0.7 and 0.8 for excitation rate constant ε1, recovery rate constant ε2, recovery decay constant γ and excitation decay constant β respectively. Changing the values of ε1, ε2 to 0.04 and 0.28 respectively, the obtained Vm showed a time dilation at 0.04 indicating cardiac arrhythmia but no significant change to Vm was observed at 0.28. Also, changing β to 0.3 and 1.1 and γ to 0.4 and 1.2 sequentially, there was no significant change to the time characteristic of Vm. The obtained results revealed that only decrease in ε1, ε2 impacted significantly on the cardiac wave propagation.