The ionic transport in sub-nanochannels plays a key role in energy storage,yet suffers from a high energy barrier.Wetting sub-nanochannels is crucial to accelerate ionic transport,but the introduction of water is chal...The ionic transport in sub-nanochannels plays a key role in energy storage,yet suffers from a high energy barrier.Wetting sub-nanochannels is crucial to accelerate ionic transport,but the introduction of water is challenging because of the hydrophobic extreme confinement.We propose wetting the channels by the exothermic hydration process of pre-intercalated ions,the effect of which varies distinctly with different ionic hydration structures and energies.Compared to the failed pre-intercalation of SO_(4)^(2-),HSO_(4)^(-) with weak hydration energy results in a marginal effect on the HOMO(Highest Occupied Molecular Orbital)level of water to avoid water splitting during the electrochemical intercalation.Meanwhile,the ability of water introduction is reserved by the initial incomplete dissociation state of HSO_(4)^(-),so the consequent exothermic reionization and hydration processes of the intercalated HSO_(4)^(-) promote the water introduction into sub-nanochannels,finally forming the stable confined water through hydrogen bonding with functional groups.The wetted channels exhibit a significantly enhanced ionic diffusion coef-ficient by~9.4 times.展开更多
PrBa_(0.5)Sr_(0.5)Co_(1.5)Fe_(0.5)O_(5+δ)(PrBSCF) has attracted much research interest as a potential triple ionic and electronic conductor(TIEC) electrode for protonic ceramic fuel cells(PCFCs). The chemical formula...PrBa_(0.5)Sr_(0.5)Co_(1.5)Fe_(0.5)O_(5+δ)(PrBSCF) has attracted much research interest as a potential triple ionic and electronic conductor(TIEC) electrode for protonic ceramic fuel cells(PCFCs). The chemical formula for Pr BSCF is AA'B_(2)O_(5+δ), with Pr(A-site) and Ba/Sr(A'-site) alternately stacked along the c-axis. Due to these structural features, the bulk oxygen ion diffusivity is significantly enhanced through the disorder-free channels in the PrO layer;thus, the A site cations(lanthanide ions) play a pivotal role in determining the overall electrochemical properties of layered perovskites. Consequently, previous research has predominantly focused on the electrical properties and oxygen bulk/surface kinetics of Ln cation effects,whereas the hydration properties for PCFC systems remain unidentified. Here, we thoroughly examined the proton uptake behavior and thermodynamic parameters for the hydration reaction to conclusively determine the changes in the electrochemical performances depending on LnBa_(0.5)Sr_(0.5)Co_(1.5)Fe_(0.5)O_(5+δ)(LnBSCF,Ln=Pr, Nd, and Gd) cathodes. At 500 ℃, the quantitative proton concentration of PrBSCF was 2.04 mol% and progressively decreased as the Ln cation size decreased. Similarly, the Gibbs free energy indicated that less energy was required for the formation of protonic defects in the order of Pr BSCF < Nd BSCF < Gd BSCF. To elucidate the close relationship between hydration properties and electrochemical performances in LnBSCF cathodes, PCFC single cell measurements and analysis of the distribution of relaxation time were further investigated.展开更多
Magnesia-calcium materials have stable hot performance,good resistance to the erosion and corrosion of liquid steel and steel slag,and a special role in purifying liquid steel,so they are widely used in iron and steel...Magnesia-calcium materials have stable hot performance,good resistance to the erosion and corrosion of liquid steel and steel slag,and a special role in purifying liquid steel,so they are widely used in iron and steel industry.However,hydration of magnesia-calcium materials seriously restricts their use,so researches have been done to improve their hydration resistance,obtaining a series of achievements.In this paper,the improvements on the hydration resistance of magnesia-calcium materials by additives in recent 20 years were presented,and their mechanisms were summarized.展开更多
The purpose of this research is to investigate the hydration behavior and cementitious properties of the mixture of calcium carbonate and aluminate, and to explore whether it can be adopted as a new low-carbon cementi...The purpose of this research is to investigate the hydration behavior and cementitious properties of the mixture of calcium carbonate and aluminate, and to explore whether it can be adopted as a new low-carbon cementitious material. The composite system of calcium carbonate and aluminate minerals is studied by measuring the component of hydration products, the hydration heat, setting time and compressive strength.The results prove that the composite system has certain cementitious properties and is feasible to prepare new low-carbon cement.展开更多
By means of low-field nuclear magnetic resonance(LF-NMR),the transverse relaxation time(T_(2))signals of physically bound water in cement paste were monitored to indicate water content change and characterize the earl...By means of low-field nuclear magnetic resonance(LF-NMR),the transverse relaxation time(T_(2))signals of physically bound water in cement paste were monitored to indicate water content change and characterize the early-age hydration process.With the curves of the T_(2)signals and hydration time obtained,the hydration process could be divided into four typical periods using the null points of the second derivative curve,and the influences of water-cement ratio(w/c)and hydration heat regulating materials(HHRM)on hydration process were analyzed.The experimental results showed that the hydration rate of pure cement paste in accelerated period presented a positive correlation with w/c.Compared to pure cement paste,the addition of HHRM extended all four periods,and led to a much faster hydration rate in initial period as well as a slower rate in accelerated period.Finally,according to the LFNMR test results,the early-age hydration model of cementitious materials was proposed considering w/c and HHRM content.展开更多
This research proposes a new pixel-based model called the hydration-pixel probability model which aims to simplify cement hydration as a probability problem.The hydration capacity of cement,the solution within pores,a...This research proposes a new pixel-based model called the hydration-pixel probability model which aims to simplify cement hydration as a probability problem.The hydration capacity of cement,the solution within pores,and the difiusion of solid particles are represented by three probability functions derived from experimental data obtained through electrical resistivity and hydration heat measurements.The principle of the model is relatively simple,and the parameters have clear physical meanings.In this research,the porous structures of difierent cement pastes with w/c ratios of 0.3,0.4,and 0.5 are investigated.The results indicate that the porosity of the cement paste decreases during the first few hours,followed by a rapid decline,and eventually reaches a steady state.The porosity of the paste decreases as w/c ratio decreases,and the rate of decrease is more rapid in the early stages.Referring to the porosity curves,the average degree of hydration and depth of hydration can be derived.The simulation results show that the hydration degree of paste composed of irregular particles is higher than that of the paste composed of round particles.The trend in the development of the average hydration depth is similar to that of the average hydration degree.Upon analyzing the average growth rate of the hydration depth,it is observed that there are two peaks in the curves,which correspond to the three characteristic points in the electrical resistivity test.展开更多
A failure criterion fully considering the anisotropy and hydration of shale is essential for shale formation stability evaluation.Thus,a novel failure criterion for hydration shale is developed by using Jaeger’s shea...A failure criterion fully considering the anisotropy and hydration of shale is essential for shale formation stability evaluation.Thus,a novel failure criterion for hydration shale is developed by using Jaeger’s shear failure criterion to describe the anisotropy and using the shear strength reduction caused by clay minerals hydration to evaluate the hydration.This failure criterion is defined with four parameters in Jaeger’s shear failure criterion(S_(1),S_(2),a andφ),three hydration parameters(k,ω_(sh)andσ_(s))and two material size parameters(d and l0).The physical meanings and determining procedures of these parameters are described.The accuracy and applicability of this failure criterion are examined using the published experimental data,showing a cohesive agreement between the predicted values and the testing results,R^(2)=0.916 and AAREP(average absolute relative error percentage)of 9.260%.The error(|D_(p)|)is then discussed considering the effects ofβ(angle between bedding plane versus axial loading),moisture content and confining pressure,presenting that|Dp|increases whenβis closer to 30°,and|D_(p)|decreases with decreasing moisture content and with increasing confining pressure.Moreover,|D_(p)|is demonstrated as being sensitive to S1and being steady with decrease in the data set whenβis 0°,30°,45°and 90°.展开更多
Background:This study aimed to investigate the hydration properties of different-source fibrous materials by com-paring their water-binding capacity(WBC),water swelling capacity(WSC),viscosity,and in vivo effects of s...Background:This study aimed to investigate the hydration properties of different-source fibrous materials by com-paring their water-binding capacity(WBC),water swelling capacity(WSC),viscosity,and in vivo effects of selected samples on growth performance,nutrient digestibility,diarrhea,and intestinal health in weaned piglets.Methods:A total of 13 commercially available fibrous materials were first compared in chemical composition and in vitro hydration property.Subsequently,40 weaned piglets were randomized to five experimental dietary groups(8 piglets per group):control diet(a basal diet without dietary fiber,CON),basal diet supplemented with 5%microcrys-talline cellulose(MCC),5%wheat bran(WB),5%Moringa oleifera leaf powder(MOLP),or 5%sugar beet pulp(SBP),fol-lowed by analyzing their growth performance and diarrhea rate in a 28-d experiment.After the feeding experiment,anaesthetized piglets were killed,and their intestinal and colon content or plasma samples were analyzed in nutrient digestibility,intestinal morphology,intestinal barrier,short-chain fatty acids(SCFAs),and bacterial population.Results:In vitro studies showed low hydration properties for WB and MCC,while medium hydration properties for MOLP and SBP.In vivo studies indicated that compared with medium hydration property groups,low hydration prop-erty groups showed(1)exacerbated diarrhea,impaired intestinal health,and reduced apparent fecal digestibility of dry matter,gross energy,acid detergent fiber,and neutral detergent fiber;(2)decreased SCFAs concentration and rela-tive levels of Lactobacillus and Bifidobacterium,but increased levels of Escherichia coli and Brachyspira hyodysenteriae in colon contents.Additionally,SBP showed optimal performance in reducing diarrhea and increasing SCFAs produc-tion.Correlation analysis revealed a positive correlation of fiber hydration properties with in vitro SCFAs production,and diarrhea index and nutrient digestibility were negatively and positively correlated with SCFAs levels in the colon contents of weaned piglets,respectively.Conclusions:Different-source dietary fibers varied in their hydration properties and impacts on diarrhea,microbial composition and SCFAs production in weaned piglets.WB and MCC could exacerbate diarrhea and impair nutrient digestibility,probably because their low hydration properties were detrimental to gut microbial homeostasis and fermentation.Our findings provide new ideas for rational use of fiber resources in weaned piglets.展开更多
The preparation of cementitious materials by replacing part of the cement with activated coal gangue is of great significance to the cement industry in terms of carbon reduction and coal-based solid waste utilization....The preparation of cementitious materials by replacing part of the cement with activated coal gangue is of great significance to the cement industry in terms of carbon reduction and coal-based solid waste utilization.For this paper,cementitious material was prepared by firing activated coal gangue under suspension conditions and batching it with limestone powder using Inner Mongolia coal gangue as raw material.The optimal ratio was determined by testing the strength changes of the cementitious material at 3,7,and 28 days of hydration,and the hydration process and mechanism were explored by combining the pore structure,heat of hydration,chemical composition,phase composition,and microscopic morphological characteristics of the hydration products.The results showed that the active materials formulated from activated gangue and limestone powder can be used to prepare cementitious materials with good performance at the level of 30%–50%replacement of cement.The optimal ratio was 30%replacement of cement,and the mass ratio of calcined gangue to limestone powder was 2:1.The 3 days compressive strength of this ratio was 28.8 MPa,which was only slightly lower than that of cement.However,the 28 days compressive strength of samples reached 67.5 MPa,which was much higher than that of the reference cement.In the hydration of this cementitious material,not only does the activated coal gangue react with the Ca(OH)_(2)formed by hydration to form C–S–H gel,but CaCO3 also participates in the reaction to form a new phase of carbon aluminate,and the two effects together promote the development of the later strength of the samples.This paper can provide a reference for carbon reduction in the cement production process and comprehensive utilization of coal gangue.展开更多
According to the transversely isotropic theory and weak plane criterion, and considering the mechanical damages due to stress unloading and hydration during drilling, a shale wellbore stability model with the influenc...According to the transversely isotropic theory and weak plane criterion, and considering the mechanical damages due to stress unloading and hydration during drilling, a shale wellbore stability model with the influence of stress unloading and hydration was established using triaxial test and shear test. Then, factors influencing the wellbore stability in shale were analyzed. The results indicate that stress unloading occurs during drilling in shale. The larger the confining pressure and axial stress, the more remarkable weakening of shale strength caused by stress unloading. The stress unloading range is positively correlated with the weakening degree of shale strength. Shale with a higher development degree of bedding is more prone to damage along bedding. In this case, during stress unloading, the synergistic effect of weak structural plane and stress unloading happens, leading to a higher weakening degree of shale strength and poorer mechanical stability, which brings a higher risk of wellbore instability. Fluid tends to invade shale through bedding, promoting the shale hydration. Hydration also can weaken shale mechanical stability, causing the decline of wellbore stability. Influence of stress unloading on collapse pressure of shale mainly occurs at the early stage of drilling, while the influence of hydration on wellbore stability mainly happens at the late stage of drilling. Bedding, stress unloading and hydration jointly affect the wellbore stability in shale. The presented shale wellbore stability model with the influence of stress unloading and hydration considers the influences of the three factors. Field application demonstrates that the prediction results of the model agree with the actual drilling results, verifying the reliability of the model.展开更多
Cement,phosphorous slag(PS),and steel slag(SS)were used to prepare low-carbon cementitious materials,and triisopropanolamine(TIPA)was used to improve the mechanical properties by controlling the hydration process.The ...Cement,phosphorous slag(PS),and steel slag(SS)were used to prepare low-carbon cementitious materials,and triisopropanolamine(TIPA)was used to improve the mechanical properties by controlling the hydration process.The experimental results show that,by using 0.06%TIPA,the compressive strength of cement containing 60%PS or 60%SS could be enhanced by 12%or 18%at 28 d.The presence of TIPA significantly affected the hydration process of PS and SS in cement.In the early stage,TIPA accelerated the dissolution of Al in PS,and the formation of carboaluminate hydrate was facilitated,which could induce the hydration;TIPA promoted the dissolution of Fe in SS,and the formation of Fe-monocarbonate,which was precipitated on the surface of SS,resulting in the postponement of hydration,especially for the high SS content.In the later stage,under the continuous solubilization effect of TIPA,the hydration of PS and SS could refine the pore structure.It was noted that compared with portland cement,the carbon emissions of cement-PS-TIPA and cement-SS-TIPA was reduced by 52%and 49%,respectively.展开更多
Gas drainage is an efective technology for gas control in coal mines.A high borehole-sealing quality is the fundamental precondition for efcient gas drainage.The expansibilities of cement pastes used in borehole-seali...Gas drainage is an efective technology for gas control in coal mines.A high borehole-sealing quality is the fundamental precondition for efcient gas drainage.The expansibilities of cement pastes used in borehole-sealing processes are critical for the borehole-sealing efect.Nanosized magnesia expansive agents are used to improve the expansibilities of cement pastes and improve the borehole-sealing efect.Nuclear magnetic resonance spectrometry and scanning electron microscopy were adopted to study the efects of nanosized magnesia on the hydration of borehole-sealing cements used with diferent preparation methods.The results showed that an increase in the mass fraction of the nanosized magnesia promoted cement hydration,and the mass fraction was positively correlated with the promotion efect.The use of diferent preparation methods did not change the water-phase distribution in the cement.When using the wet-mixing preparation method,nanosized magnesia promoted the induction,acceleration,and deceleration periods of hydration;when using the dry-mixing preparation method,the nanosized magnesia promoted the induction period of cement hydration,and the promotion efect was less obvious than that seen when using the wet-mixing method.When using the wet-mixing preparation method,the nanosized magnesia was uniformly dispersed,thus enlarging the surface area of the reaction,which provided more nucleation sites for the hydration products of the cement and therefore accelerated the hydration reaction.When using the dry-mixing preparation method,the nanosized magnesia powders were dispersed nonuniformly and aggregated.Under these conditions,only a few nanosized magnesia particles on the surfaces of the aggregated clusters took part in hydration,so only a small number of nucleation sites were provided for the hydration products of cement.This led to inconsistent hydration of cement pastes prepared using the dry-mixing method.The surface porosity of the cement prepared with the wet-mixing preparation method frst decreased and then increased with increases in the mass fraction of the nanosized magnesia.The cement surface exhibited compact hydration products and few pores,and the surface was relatively smooth.In comparison,the surface porosity of the cement prepared using the dry-mixing method fuctuated with increasing mass fraction of the nanosized magnesia,resulting in a rough cement surface and microfractures on some surfaces.The two preparation methods both reduced the surface porosity of the cement.The wet-mixing preparation was more efective and consistent in improving the compactness of the cement than the dry-mixing preparation.These results provide important guidance on the addition of nanosized magnesia in borehole-sealing engineering and the selection of cement preparation methods,and they also lay a solid foundation for realizing safe and efcient gas drainage.展开更多
G-quadruplexes(GQs) are guanine-rich, non-canonical nucleic acid structures that play fundamental roles in biological processes. Their structure and function are strongly influenced by their hydration shells. Although...G-quadruplexes(GQs) are guanine-rich, non-canonical nucleic acid structures that play fundamental roles in biological processes. Their structure and function are strongly influenced by their hydration shells. Although extensively studied through various experimental and computational methods, hydration patterns near DNA remain under debate due to the chemically and topologically heterogeneous nature of the exposed surface. In this work, we employed all-atom molecular dynamics(MD) simulation to study the hydration patterns of GQ DNA. The Drude oscillator model was used in MD simulation as a computationally efficient method for modeling electronic polarization in DNA ion solutions. Hydration structure was analyzed in terms of radial distribution functions and high-density three-dimensional hydration sites. Analysis of hydration dynamics focused on self-diffusion rates and orientation time correlation at different structural regions of GQ DNA.The results show highly heterogeneous hydration patterns in both structure and dynamics;for example, there are several insular high-density sites in the inner channel, and ‘spine of water’ in the groove. For water inside the loop, anomalous diffusion is present over a long time scale, but for water around the phosphate group and groove, diffusion becomes normal after ~30 ps. These essentially correspond to deeply buried structural water and strong interaction with DNA, respectively.展开更多
Montmorillonite and clinoptilolite zeolite were used as representative materials to prepare calcined clay-cement binary cementitious materials in order to study the effect of calcination treatment on the activation of...Montmorillonite and clinoptilolite zeolite were used as representative materials to prepare calcined clay-cement binary cementitious materials in order to study the effect of calcination treatment on the activation of clay minerals and the activity difference between layered and framed clays in this research.The influence of different calcined clay content(2%,4%,6%,8%,10%)on the fluidity,compressive strength,microstructure,phase change,and hydration heat of cement-based materials were analyzed.The calcined clay improves the fluidity of cement-based materials as compared with the uncalcined group.The addition of calcined montmorillonite(CMT)improves the development of mechanical strength,and the optimal compressive strength reaches 85 MPa at 28 days with 8%CMT.However,the activity of calcined clinoptilolite zeolite(CZL)is weak with few reaction sites,which slightly reduced the mechanical strength as compared to the blank sample.The addition of CMT changes the microscopic morphology of hydration products such as C-S-H and C-A-H,leading to the formation and transformation of ettringite in the early stage.It promotes the gradual polymerization of Si-O bonds into Si-O-Si bonds simultaneously,which accelerates the early hydration process.However,CZL acts mainly as a filling function in the cementitious system.In brief,CMT as an admixture can improve the mechanical properties of cement,but CZL has little effect.This work provides a guideline for the applications of calcined clay in cement,considering the influence of clay type on workability and mechanical strength.展开更多
Alkali-activated slag concrete (AASC) is a new green building material. The amount of CO_(2) produced by AASC is 1/5th of that produced by ordinary Portland cement concrete (OPCC). In addition, AASC promotes the reuse...Alkali-activated slag concrete (AASC) is a new green building material. The amount of CO_(2) produced by AASC is 1/5th of that produced by ordinary Portland cement concrete (OPCC). In addition, AASC promotes the reuse of slag and other wastes and saves resources. Furthermore, the scope of use of slag has been expanded. The progress of the research on the hydration characteristics, microstructure, interfacial transition zone, and pore structure of AASC based on the relevant literatures was analyzed and summarized in this study. The influences of the slag composition, the type and dosage of the alkali activator, and the curing conditions on the hydration characteristics and the microstructure of the AASC were discussed. Relatively few research results on the microstructure of AASC are available, and the relevant conclusions are not completely consistent. Moreover, there are many constraints on the development of AASC (e.g., complex composition of raw materials of slag, large shrinkage deformation, and low fluidity). Therefore, further research is required.展开更多
Graphene oxide(GO)as a new nano-enhancer in cement-based materials has gained wide attention.However,GO is easy to aggregate in alkaline cement mortar with poor dispersibility.This hinders its application in practical...Graphene oxide(GO)as a new nano-enhancer in cement-based materials has gained wide attention.However,GO is easy to aggregate in alkaline cement mortar with poor dispersibility.This hinders its application in practical infrastructure construction.In this work,GO-M18 polycarboxylate compound superplasticizer(GM)were obtained by compounding the M18 polycarboxylate superplasticizer with GO solution at different mass ratios.The dispersion of GM in alkaline solution was systematically studied.The phases and functional groups of GM were characterized by XRD and FTIR.The effects of GM on the cement mortar hydration and the formation of microstructure were investigated by measuring the heat of hydration,MIP,TG/DSC,and SEM.The results show that the long-chain structure of the M18 polycarboxylate superplasticizer can increase the interlayer spacing of GO and weaken the force between GO sheets.The modified GO can be uniformly dispersed in the cement slurry.GM can accelerate the early hydration process of cement,which can increase the content of Ca(OH)2 and decrease the grain size.It can optimize the pore size distribution of cement-based materials,increase the density of harmless and less harmful pores,thereby improving mechanical properties.Such methods can transform traditional cement-based materials into stronger,more durable composites,which prolong the life of cement-based materials and reduce the amount of cement used for later maintenance.This provides an idea for achieving sustainability goals in civil engineering.展开更多
Investigating the impact of microhydration on the excited-states and electronic excitation properties of biomolecules has remained one of the important yet challenging aspects of science because of the complexity of d...Investigating the impact of microhydration on the excited-states and electronic excitation properties of biomolecules has remained one of the important yet challenging aspects of science because of the complexity of developing models. However, with the advent of computational chemistry methods such as TD-DFT, many useful insights about the electronic excitation energy and excited-state nature of biomolecules can be explored. Accordingly, in our study, we have incorporated the TD-DFT/wB97XD/cc-pVTZ method to study the excited state properties of N-acetyl phenylalanine amide (NAPA-A(H<sub>2</sub>O) <sub>n</sub>) (n = 1 to 4) clusters from ground to the tenth lowest gaseous singlet excited state. We found that the C=O bond length gradually increases both in N-terminal amide and C-terminal amide after the sequential addition of water molecules because of intermolecular H-bonding and this intermolecular H-bonding becomes weaker after the sequential addition of H<sub>2</sub>O molecules. The UV absorption maxima of NAPA-A (H<sub>2</sub>O)<sub>n</sub> (n = 1 - 4) clusters consisted of two peaks that are S<sub>5</sub>←S<sub>0</sub> (1<sup>st</sup> absorption) and S<sub>6</sub>←S<sub>0</sub> (2<sup>nd</sup> absorption) excitations. The first absorption maxima were blue-shifted with the increase in oscillator strength. This means that strong H-bonds reduce the charge transfer and make clusters more rigid. On the other hand, the second absorption maxima were red-shifted with the decrease in oscillator strength. In the ECD spectra, the negative bands indicate the presence of an amide bond and L-configuration of micro hydrated NAPA-A clusters. Finally, our calculated absorption and fluorescence energy confirm that all the NAPA-A (H<sub>2</sub>O) <sub>n</sub> (n = 0 - 4) clusters revert to the ground state from the fluorescent state by emitting around 5.490 eV of light.展开更多
Background: Fluid overload is frequent in Haemodialysis (HD) and is one of the major factors of cardiovascular morbidity and mortality for chronic HD patients. The main challenge with chronic haemodialysis patients is...Background: Fluid overload is frequent in Haemodialysis (HD) and is one of the major factors of cardiovascular morbidity and mortality for chronic HD patients. The main challenge with chronic haemodialysis patients is indeed the maintenance of a normal extracellular volume through dry weight determination. Our study aimed at assessing the role of lung ultrasound in the detection of B-lines for the determination of hydration status in chronic HD patients. Methods: We conducted a cross-sectional study including 31 patients undergoing chronic HD treatment for at least 3 months, in the Yaounde University Teaching Hospital dialysis unit. Lung ultrasonography and clinical examinations were performed immediately before dialysis, and 30 minutes after dialysis. Differences between clinical and ultrasound variables before and after dialysis were measured to assess the effects of dialysis. Association between categorical variables was assessed with the Chi-squared test or Fischer test, and Rho’s Spearman coefficient for quantitative variables. Results: There was a reduction in the median of B-lines score after dialysis [12 (7 - 26) versus 8 (5 - 13)], clinical score [2 (1 - 3) versus 0 (-1 - 2)], mean of systolic blood pressure (164.74 ± 26.50 versus 158.48 ± 27.89), frequency of dyspnoea in patients (32.3% versus 6.5%);and raising of the frequency of cramps in patients (0% versus 19.4%) and all statistically significant (p ≤ 0.031). B-lines score before and after dialysis was associated with dyspnoea and raised jugular venous pressure (p Conclusion: Lung ultrasound for the detection of B-lines reflects the variation of extracellular volume during dialysis and can even capture pulmonary oedema at a pre-clinical stage. It is then a reliable and sensible method for assessing extravascular lung water and thus hydration status of haemodialysis patients. It could constitute a better alternative for an objective and accurate definition of dry weight, specifically in the African and Cameroonian context, with its assets being low cost, availability, and easiness to perform in a large population of HD patients. We, therefore, recommend further multicentric studies in order to design a standardized protocol of ultrasound follow-up for all chronic HD patients’ hydration status assessments.展开更多
Shale samples of Silurian Longmaxi Formation in the Changning area of the Sichuan Basin, SW China, were selected to carry out scanning electron microscopy, CT imaging, high-pressure mercury injection, low-temperature ...Shale samples of Silurian Longmaxi Formation in the Changning area of the Sichuan Basin, SW China, were selected to carry out scanning electron microscopy, CT imaging, high-pressure mercury injection, low-temperature nitrogen adsorption and imbibition experiments to compare the hydration characteristics of montmorillonite and illite, analyze the main factors affecting the water block removal of shale, and reveal the mechanisms of pore structure evolution during shale hydration. The hydration characteristics of shale are closely related to the composition of clay minerals, the shale with high illite content is not susceptible to hydration and thus has limited room for pore structure improvement;the shale with high montmorillonite is susceptible to hydration expansion and thus has higher potential of pore structure improvement by stimulation;the shale with high illite content has stronger imbibition in the initial stage, but insufficient diffusion ability, and thus is likely to have water block;the shale with high montmorillonite content has weaker imbibition in the initial stage but better water diffusion, so water blocking in this kind of shale can be removed to some degree;the shale reservoir has an optimal hydration time, when it is best in physical properties, but hydration time too long would cause damage to the reservoir, and the shale with high illite content has a shorter optimal hydration time;inorganic cations can inhibit the hydration of clay minerals and have stronger inhibition to illite expansion, especially K^(+);for the reservoir with high content of montmorillonite, the cation content of fracturing fluid can be lowered to promote the shale hydration;fracturing fluid with high K^(+) content can be injected into reservoirs with high illite content to suppress hydration.展开更多
基金supported by the National Key Research and Development Program of China(2021YFA1101300)the National Natural Science Foundation of China(Grant No.22225801,21776197,22078214,and 21905206)Special Fund for Science and Technology Innovation Team of Shanxi Province(No.202204051001009).
文摘The ionic transport in sub-nanochannels plays a key role in energy storage,yet suffers from a high energy barrier.Wetting sub-nanochannels is crucial to accelerate ionic transport,but the introduction of water is challenging because of the hydrophobic extreme confinement.We propose wetting the channels by the exothermic hydration process of pre-intercalated ions,the effect of which varies distinctly with different ionic hydration structures and energies.Compared to the failed pre-intercalation of SO_(4)^(2-),HSO_(4)^(-) with weak hydration energy results in a marginal effect on the HOMO(Highest Occupied Molecular Orbital)level of water to avoid water splitting during the electrochemical intercalation.Meanwhile,the ability of water introduction is reserved by the initial incomplete dissociation state of HSO_(4)^(-),so the consequent exothermic reionization and hydration processes of the intercalated HSO_(4)^(-) promote the water introduction into sub-nanochannels,finally forming the stable confined water through hydrogen bonding with functional groups.The wetted channels exhibit a significantly enhanced ionic diffusion coef-ficient by~9.4 times.
基金supported by the National Research Foundation (NRF) grant funded by the Korea government (NRF2022R1C1C1007619, NRF-2021M3H4A1A01002921, NRF2021M3I3A1084292)supported by the KIST Institutional Program (Project No. 2E32592-23-069)。
文摘PrBa_(0.5)Sr_(0.5)Co_(1.5)Fe_(0.5)O_(5+δ)(PrBSCF) has attracted much research interest as a potential triple ionic and electronic conductor(TIEC) electrode for protonic ceramic fuel cells(PCFCs). The chemical formula for Pr BSCF is AA'B_(2)O_(5+δ), with Pr(A-site) and Ba/Sr(A'-site) alternately stacked along the c-axis. Due to these structural features, the bulk oxygen ion diffusivity is significantly enhanced through the disorder-free channels in the PrO layer;thus, the A site cations(lanthanide ions) play a pivotal role in determining the overall electrochemical properties of layered perovskites. Consequently, previous research has predominantly focused on the electrical properties and oxygen bulk/surface kinetics of Ln cation effects,whereas the hydration properties for PCFC systems remain unidentified. Here, we thoroughly examined the proton uptake behavior and thermodynamic parameters for the hydration reaction to conclusively determine the changes in the electrochemical performances depending on LnBa_(0.5)Sr_(0.5)Co_(1.5)Fe_(0.5)O_(5+δ)(LnBSCF,Ln=Pr, Nd, and Gd) cathodes. At 500 ℃, the quantitative proton concentration of PrBSCF was 2.04 mol% and progressively decreased as the Ln cation size decreased. Similarly, the Gibbs free energy indicated that less energy was required for the formation of protonic defects in the order of Pr BSCF < Nd BSCF < Gd BSCF. To elucidate the close relationship between hydration properties and electrochemical performances in LnBSCF cathodes, PCFC single cell measurements and analysis of the distribution of relaxation time were further investigated.
文摘Magnesia-calcium materials have stable hot performance,good resistance to the erosion and corrosion of liquid steel and steel slag,and a special role in purifying liquid steel,so they are widely used in iron and steel industry.However,hydration of magnesia-calcium materials seriously restricts their use,so researches have been done to improve their hydration resistance,obtaining a series of achievements.In this paper,the improvements on the hydration resistance of magnesia-calcium materials by additives in recent 20 years were presented,and their mechanisms were summarized.
基金Funded by the National Natural Science Foundation of China (Nos.51772033, 52002040)the National Key Research and Development Program of China (No. 2023YFB3711400)。
文摘The purpose of this research is to investigate the hydration behavior and cementitious properties of the mixture of calcium carbonate and aluminate, and to explore whether it can be adopted as a new low-carbon cementitious material. The composite system of calcium carbonate and aluminate minerals is studied by measuring the component of hydration products, the hydration heat, setting time and compressive strength.The results prove that the composite system has certain cementitious properties and is feasible to prepare new low-carbon cement.
基金Funded by National Natural Science Foundation of China(Nos.U1965105,51878245)National Key R&D Program of China(No.2021YFF0500802)。
文摘By means of low-field nuclear magnetic resonance(LF-NMR),the transverse relaxation time(T_(2))signals of physically bound water in cement paste were monitored to indicate water content change and characterize the early-age hydration process.With the curves of the T_(2)signals and hydration time obtained,the hydration process could be divided into four typical periods using the null points of the second derivative curve,and the influences of water-cement ratio(w/c)and hydration heat regulating materials(HHRM)on hydration process were analyzed.The experimental results showed that the hydration rate of pure cement paste in accelerated period presented a positive correlation with w/c.Compared to pure cement paste,the addition of HHRM extended all four periods,and led to a much faster hydration rate in initial period as well as a slower rate in accelerated period.Finally,according to the LFNMR test results,the early-age hydration model of cementitious materials was proposed considering w/c and HHRM content.
文摘This research proposes a new pixel-based model called the hydration-pixel probability model which aims to simplify cement hydration as a probability problem.The hydration capacity of cement,the solution within pores,and the difiusion of solid particles are represented by three probability functions derived from experimental data obtained through electrical resistivity and hydration heat measurements.The principle of the model is relatively simple,and the parameters have clear physical meanings.In this research,the porous structures of difierent cement pastes with w/c ratios of 0.3,0.4,and 0.5 are investigated.The results indicate that the porosity of the cement paste decreases during the first few hours,followed by a rapid decline,and eventually reaches a steady state.The porosity of the paste decreases as w/c ratio decreases,and the rate of decrease is more rapid in the early stages.Referring to the porosity curves,the average degree of hydration and depth of hydration can be derived.The simulation results show that the hydration degree of paste composed of irregular particles is higher than that of the paste composed of round particles.The trend in the development of the average hydration depth is similar to that of the average hydration degree.Upon analyzing the average growth rate of the hydration depth,it is observed that there are two peaks in the curves,which correspond to the three characteristic points in the electrical resistivity test.
基金The financial supports from the Sichuan Science and Technology Program(No.2022NSFSC0185)the National Natural Science Foundation of China(Nos.42172313 and 51774246)+3 种基金the Natural Science Foundation of Chongqing(No.cstc2020jcyj-msxm X0570)the Fundamental Research Funds for the Central Universities(Nos.2020CDJ-LHZZ-004,2020CDJQY-A046)the State Key Laboratory of Coal Mine Disaster Dynamics and Control(No.2011DA105287-MS201903)The scholarship supports provided by the China Scholarship Council(CSC)。
文摘A failure criterion fully considering the anisotropy and hydration of shale is essential for shale formation stability evaluation.Thus,a novel failure criterion for hydration shale is developed by using Jaeger’s shear failure criterion to describe the anisotropy and using the shear strength reduction caused by clay minerals hydration to evaluate the hydration.This failure criterion is defined with four parameters in Jaeger’s shear failure criterion(S_(1),S_(2),a andφ),three hydration parameters(k,ω_(sh)andσ_(s))and two material size parameters(d and l0).The physical meanings and determining procedures of these parameters are described.The accuracy and applicability of this failure criterion are examined using the published experimental data,showing a cohesive agreement between the predicted values and the testing results,R^(2)=0.916 and AAREP(average absolute relative error percentage)of 9.260%.The error(|D_(p)|)is then discussed considering the effects ofβ(angle between bedding plane versus axial loading),moisture content and confining pressure,presenting that|Dp|increases whenβis closer to 30°,and|D_(p)|decreases with decreasing moisture content and with increasing confining pressure.Moreover,|D_(p)|is demonstrated as being sensitive to S1and being steady with decrease in the data set whenβis 0°,30°,45°and 90°.
基金funded by Project of National Natural Science Foundation of China(No.32172744 and 31902165)Natural Science Foundation of Guangdong Province(2021A1515012116)Natural Science Foundation of Guangzhou City(202102080090).
文摘Background:This study aimed to investigate the hydration properties of different-source fibrous materials by com-paring their water-binding capacity(WBC),water swelling capacity(WSC),viscosity,and in vivo effects of selected samples on growth performance,nutrient digestibility,diarrhea,and intestinal health in weaned piglets.Methods:A total of 13 commercially available fibrous materials were first compared in chemical composition and in vitro hydration property.Subsequently,40 weaned piglets were randomized to five experimental dietary groups(8 piglets per group):control diet(a basal diet without dietary fiber,CON),basal diet supplemented with 5%microcrys-talline cellulose(MCC),5%wheat bran(WB),5%Moringa oleifera leaf powder(MOLP),or 5%sugar beet pulp(SBP),fol-lowed by analyzing their growth performance and diarrhea rate in a 28-d experiment.After the feeding experiment,anaesthetized piglets were killed,and their intestinal and colon content or plasma samples were analyzed in nutrient digestibility,intestinal morphology,intestinal barrier,short-chain fatty acids(SCFAs),and bacterial population.Results:In vitro studies showed low hydration properties for WB and MCC,while medium hydration properties for MOLP and SBP.In vivo studies indicated that compared with medium hydration property groups,low hydration prop-erty groups showed(1)exacerbated diarrhea,impaired intestinal health,and reduced apparent fecal digestibility of dry matter,gross energy,acid detergent fiber,and neutral detergent fiber;(2)decreased SCFAs concentration and rela-tive levels of Lactobacillus and Bifidobacterium,but increased levels of Escherichia coli and Brachyspira hyodysenteriae in colon contents.Additionally,SBP showed optimal performance in reducing diarrhea and increasing SCFAs produc-tion.Correlation analysis revealed a positive correlation of fiber hydration properties with in vitro SCFAs production,and diarrhea index and nutrient digestibility were negatively and positively correlated with SCFAs levels in the colon contents of weaned piglets,respectively.Conclusions:Different-source dietary fibers varied in their hydration properties and impacts on diarrhea,microbial composition and SCFAs production in weaned piglets.WB and MCC could exacerbate diarrhea and impair nutrient digestibility,probably because their low hydration properties were detrimental to gut microbial homeostasis and fermentation.Our findings provide new ideas for rational use of fiber resources in weaned piglets.
基金funded by the National Natural Science Foundation of China Projects(Grant No.51672207).
文摘The preparation of cementitious materials by replacing part of the cement with activated coal gangue is of great significance to the cement industry in terms of carbon reduction and coal-based solid waste utilization.For this paper,cementitious material was prepared by firing activated coal gangue under suspension conditions and batching it with limestone powder using Inner Mongolia coal gangue as raw material.The optimal ratio was determined by testing the strength changes of the cementitious material at 3,7,and 28 days of hydration,and the hydration process and mechanism were explored by combining the pore structure,heat of hydration,chemical composition,phase composition,and microscopic morphological characteristics of the hydration products.The results showed that the active materials formulated from activated gangue and limestone powder can be used to prepare cementitious materials with good performance at the level of 30%–50%replacement of cement.The optimal ratio was 30%replacement of cement,and the mass ratio of calcined gangue to limestone powder was 2:1.The 3 days compressive strength of this ratio was 28.8 MPa,which was only slightly lower than that of cement.However,the 28 days compressive strength of samples reached 67.5 MPa,which was much higher than that of the reference cement.In the hydration of this cementitious material,not only does the activated coal gangue react with the Ca(OH)_(2)formed by hydration to form C–S–H gel,but CaCO3 also participates in the reaction to form a new phase of carbon aluminate,and the two effects together promote the development of the later strength of the samples.This paper can provide a reference for carbon reduction in the cement production process and comprehensive utilization of coal gangue.
基金Supported by the National Natural Science Foundation of China(42202194)Science and Technology Cooperation Project of the CNPC-SWPU Innovation Alliance(2020CX040102).
文摘According to the transversely isotropic theory and weak plane criterion, and considering the mechanical damages due to stress unloading and hydration during drilling, a shale wellbore stability model with the influence of stress unloading and hydration was established using triaxial test and shear test. Then, factors influencing the wellbore stability in shale were analyzed. The results indicate that stress unloading occurs during drilling in shale. The larger the confining pressure and axial stress, the more remarkable weakening of shale strength caused by stress unloading. The stress unloading range is positively correlated with the weakening degree of shale strength. Shale with a higher development degree of bedding is more prone to damage along bedding. In this case, during stress unloading, the synergistic effect of weak structural plane and stress unloading happens, leading to a higher weakening degree of shale strength and poorer mechanical stability, which brings a higher risk of wellbore instability. Fluid tends to invade shale through bedding, promoting the shale hydration. Hydration also can weaken shale mechanical stability, causing the decline of wellbore stability. Influence of stress unloading on collapse pressure of shale mainly occurs at the early stage of drilling, while the influence of hydration on wellbore stability mainly happens at the late stage of drilling. Bedding, stress unloading and hydration jointly affect the wellbore stability in shale. The presented shale wellbore stability model with the influence of stress unloading and hydration considers the influences of the three factors. Field application demonstrates that the prediction results of the model agree with the actual drilling results, verifying the reliability of the model.
基金Funded by the Key Public Welfare Special Project of Henan Province(No.201300311000)the Major Technical Innovation Project in Hubei Province of China(No.2020BED025)。
文摘Cement,phosphorous slag(PS),and steel slag(SS)were used to prepare low-carbon cementitious materials,and triisopropanolamine(TIPA)was used to improve the mechanical properties by controlling the hydration process.The experimental results show that,by using 0.06%TIPA,the compressive strength of cement containing 60%PS or 60%SS could be enhanced by 12%or 18%at 28 d.The presence of TIPA significantly affected the hydration process of PS and SS in cement.In the early stage,TIPA accelerated the dissolution of Al in PS,and the formation of carboaluminate hydrate was facilitated,which could induce the hydration;TIPA promoted the dissolution of Fe in SS,and the formation of Fe-monocarbonate,which was precipitated on the surface of SS,resulting in the postponement of hydration,especially for the high SS content.In the later stage,under the continuous solubilization effect of TIPA,the hydration of PS and SS could refine the pore structure.It was noted that compared with portland cement,the carbon emissions of cement-PS-TIPA and cement-SS-TIPA was reduced by 52%and 49%,respectively.
基金supported by“Overall Rationing System”Project of Chongqing Talent Program(cstc2022ycjh-bgzxm0077)the National Natural Science Foundation of China(52074041)+1 种基金Natural Science Foundation of Chongqing,China(cstc2020jcyj-msxmX0836)Fundamental Research Funds for the Central Universities(2020CDJ-LHZZ-002),which are gratefully acknowledged.
文摘Gas drainage is an efective technology for gas control in coal mines.A high borehole-sealing quality is the fundamental precondition for efcient gas drainage.The expansibilities of cement pastes used in borehole-sealing processes are critical for the borehole-sealing efect.Nanosized magnesia expansive agents are used to improve the expansibilities of cement pastes and improve the borehole-sealing efect.Nuclear magnetic resonance spectrometry and scanning electron microscopy were adopted to study the efects of nanosized magnesia on the hydration of borehole-sealing cements used with diferent preparation methods.The results showed that an increase in the mass fraction of the nanosized magnesia promoted cement hydration,and the mass fraction was positively correlated with the promotion efect.The use of diferent preparation methods did not change the water-phase distribution in the cement.When using the wet-mixing preparation method,nanosized magnesia promoted the induction,acceleration,and deceleration periods of hydration;when using the dry-mixing preparation method,the nanosized magnesia promoted the induction period of cement hydration,and the promotion efect was less obvious than that seen when using the wet-mixing method.When using the wet-mixing preparation method,the nanosized magnesia was uniformly dispersed,thus enlarging the surface area of the reaction,which provided more nucleation sites for the hydration products of the cement and therefore accelerated the hydration reaction.When using the dry-mixing preparation method,the nanosized magnesia powders were dispersed nonuniformly and aggregated.Under these conditions,only a few nanosized magnesia particles on the surfaces of the aggregated clusters took part in hydration,so only a small number of nucleation sites were provided for the hydration products of cement.This led to inconsistent hydration of cement pastes prepared using the dry-mixing method.The surface porosity of the cement prepared with the wet-mixing preparation method frst decreased and then increased with increases in the mass fraction of the nanosized magnesia.The cement surface exhibited compact hydration products and few pores,and the surface was relatively smooth.In comparison,the surface porosity of the cement prepared using the dry-mixing method fuctuated with increasing mass fraction of the nanosized magnesia,resulting in a rough cement surface and microfractures on some surfaces.The two preparation methods both reduced the surface porosity of the cement.The wet-mixing preparation was more efective and consistent in improving the compactness of the cement than the dry-mixing preparation.These results provide important guidance on the addition of nanosized magnesia in borehole-sealing engineering and the selection of cement preparation methods,and they also lay a solid foundation for realizing safe and efcient gas drainage.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11705160 and 11647074)。
文摘G-quadruplexes(GQs) are guanine-rich, non-canonical nucleic acid structures that play fundamental roles in biological processes. Their structure and function are strongly influenced by their hydration shells. Although extensively studied through various experimental and computational methods, hydration patterns near DNA remain under debate due to the chemically and topologically heterogeneous nature of the exposed surface. In this work, we employed all-atom molecular dynamics(MD) simulation to study the hydration patterns of GQ DNA. The Drude oscillator model was used in MD simulation as a computationally efficient method for modeling electronic polarization in DNA ion solutions. Hydration structure was analyzed in terms of radial distribution functions and high-density three-dimensional hydration sites. Analysis of hydration dynamics focused on self-diffusion rates and orientation time correlation at different structural regions of GQ DNA.The results show highly heterogeneous hydration patterns in both structure and dynamics;for example, there are several insular high-density sites in the inner channel, and ‘spine of water’ in the groove. For water inside the loop, anomalous diffusion is present over a long time scale, but for water around the phosphate group and groove, diffusion becomes normal after ~30 ps. These essentially correspond to deeply buried structural water and strong interaction with DNA, respectively.
基金The research presented in this paper was supported by National Natural Science Foundation of China(Grant No.52272031)the Fundamental Research Funds for the Central Universities,China University of Geosciences(Wuhan),and the Opening Fund of Guangxi Key Laboratory of New Energy and Building Energy Saving(Grant No.19-J-22-2)+3 种基金Key Research and Development Program of Hubei Province(Grant No.2020BAB065)Key Research and Development Program of Jiangxi Province(Grant No.20201BBG71011)Fundamental Research Funds for the Central Universities,CHD(Grant No.300102211506)Opening Fund of Key Laboratory of Advanced Building Materials of Anhui Province(Grant No.JZCL001KF).
文摘Montmorillonite and clinoptilolite zeolite were used as representative materials to prepare calcined clay-cement binary cementitious materials in order to study the effect of calcination treatment on the activation of clay minerals and the activity difference between layered and framed clays in this research.The influence of different calcined clay content(2%,4%,6%,8%,10%)on the fluidity,compressive strength,microstructure,phase change,and hydration heat of cement-based materials were analyzed.The calcined clay improves the fluidity of cement-based materials as compared with the uncalcined group.The addition of calcined montmorillonite(CMT)improves the development of mechanical strength,and the optimal compressive strength reaches 85 MPa at 28 days with 8%CMT.However,the activity of calcined clinoptilolite zeolite(CZL)is weak with few reaction sites,which slightly reduced the mechanical strength as compared to the blank sample.The addition of CMT changes the microscopic morphology of hydration products such as C-S-H and C-A-H,leading to the formation and transformation of ettringite in the early stage.It promotes the gradual polymerization of Si-O bonds into Si-O-Si bonds simultaneously,which accelerates the early hydration process.However,CZL acts mainly as a filling function in the cementitious system.In brief,CMT as an admixture can improve the mechanical properties of cement,but CZL has little effect.This work provides a guideline for the applications of calcined clay in cement,considering the influence of clay type on workability and mechanical strength.
基金would like to acknowledge the National Natural Science Foundation of China(51590914 and 51608432)Natural Science Foundation of Shaanxi Province(2019JQ-481).
文摘Alkali-activated slag concrete (AASC) is a new green building material. The amount of CO_(2) produced by AASC is 1/5th of that produced by ordinary Portland cement concrete (OPCC). In addition, AASC promotes the reuse of slag and other wastes and saves resources. Furthermore, the scope of use of slag has been expanded. The progress of the research on the hydration characteristics, microstructure, interfacial transition zone, and pore structure of AASC based on the relevant literatures was analyzed and summarized in this study. The influences of the slag composition, the type and dosage of the alkali activator, and the curing conditions on the hydration characteristics and the microstructure of the AASC were discussed. Relatively few research results on the microstructure of AASC are available, and the relevant conclusions are not completely consistent. Moreover, there are many constraints on the development of AASC (e.g., complex composition of raw materials of slag, large shrinkage deformation, and low fluidity). Therefore, further research is required.
基金funded by the National Natural Science Foundation of China(No.51872137)and Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)。
文摘Graphene oxide(GO)as a new nano-enhancer in cement-based materials has gained wide attention.However,GO is easy to aggregate in alkaline cement mortar with poor dispersibility.This hinders its application in practical infrastructure construction.In this work,GO-M18 polycarboxylate compound superplasticizer(GM)were obtained by compounding the M18 polycarboxylate superplasticizer with GO solution at different mass ratios.The dispersion of GM in alkaline solution was systematically studied.The phases and functional groups of GM were characterized by XRD and FTIR.The effects of GM on the cement mortar hydration and the formation of microstructure were investigated by measuring the heat of hydration,MIP,TG/DSC,and SEM.The results show that the long-chain structure of the M18 polycarboxylate superplasticizer can increase the interlayer spacing of GO and weaken the force between GO sheets.The modified GO can be uniformly dispersed in the cement slurry.GM can accelerate the early hydration process of cement,which can increase the content of Ca(OH)2 and decrease the grain size.It can optimize the pore size distribution of cement-based materials,increase the density of harmless and less harmful pores,thereby improving mechanical properties.Such methods can transform traditional cement-based materials into stronger,more durable composites,which prolong the life of cement-based materials and reduce the amount of cement used for later maintenance.This provides an idea for achieving sustainability goals in civil engineering.
文摘Investigating the impact of microhydration on the excited-states and electronic excitation properties of biomolecules has remained one of the important yet challenging aspects of science because of the complexity of developing models. However, with the advent of computational chemistry methods such as TD-DFT, many useful insights about the electronic excitation energy and excited-state nature of biomolecules can be explored. Accordingly, in our study, we have incorporated the TD-DFT/wB97XD/cc-pVTZ method to study the excited state properties of N-acetyl phenylalanine amide (NAPA-A(H<sub>2</sub>O) <sub>n</sub>) (n = 1 to 4) clusters from ground to the tenth lowest gaseous singlet excited state. We found that the C=O bond length gradually increases both in N-terminal amide and C-terminal amide after the sequential addition of water molecules because of intermolecular H-bonding and this intermolecular H-bonding becomes weaker after the sequential addition of H<sub>2</sub>O molecules. The UV absorption maxima of NAPA-A (H<sub>2</sub>O)<sub>n</sub> (n = 1 - 4) clusters consisted of two peaks that are S<sub>5</sub>←S<sub>0</sub> (1<sup>st</sup> absorption) and S<sub>6</sub>←S<sub>0</sub> (2<sup>nd</sup> absorption) excitations. The first absorption maxima were blue-shifted with the increase in oscillator strength. This means that strong H-bonds reduce the charge transfer and make clusters more rigid. On the other hand, the second absorption maxima were red-shifted with the decrease in oscillator strength. In the ECD spectra, the negative bands indicate the presence of an amide bond and L-configuration of micro hydrated NAPA-A clusters. Finally, our calculated absorption and fluorescence energy confirm that all the NAPA-A (H<sub>2</sub>O) <sub>n</sub> (n = 0 - 4) clusters revert to the ground state from the fluorescent state by emitting around 5.490 eV of light.
文摘Background: Fluid overload is frequent in Haemodialysis (HD) and is one of the major factors of cardiovascular morbidity and mortality for chronic HD patients. The main challenge with chronic haemodialysis patients is indeed the maintenance of a normal extracellular volume through dry weight determination. Our study aimed at assessing the role of lung ultrasound in the detection of B-lines for the determination of hydration status in chronic HD patients. Methods: We conducted a cross-sectional study including 31 patients undergoing chronic HD treatment for at least 3 months, in the Yaounde University Teaching Hospital dialysis unit. Lung ultrasonography and clinical examinations were performed immediately before dialysis, and 30 minutes after dialysis. Differences between clinical and ultrasound variables before and after dialysis were measured to assess the effects of dialysis. Association between categorical variables was assessed with the Chi-squared test or Fischer test, and Rho’s Spearman coefficient for quantitative variables. Results: There was a reduction in the median of B-lines score after dialysis [12 (7 - 26) versus 8 (5 - 13)], clinical score [2 (1 - 3) versus 0 (-1 - 2)], mean of systolic blood pressure (164.74 ± 26.50 versus 158.48 ± 27.89), frequency of dyspnoea in patients (32.3% versus 6.5%);and raising of the frequency of cramps in patients (0% versus 19.4%) and all statistically significant (p ≤ 0.031). B-lines score before and after dialysis was associated with dyspnoea and raised jugular venous pressure (p Conclusion: Lung ultrasound for the detection of B-lines reflects the variation of extracellular volume during dialysis and can even capture pulmonary oedema at a pre-clinical stage. It is then a reliable and sensible method for assessing extravascular lung water and thus hydration status of haemodialysis patients. It could constitute a better alternative for an objective and accurate definition of dry weight, specifically in the African and Cameroonian context, with its assets being low cost, availability, and easiness to perform in a large population of HD patients. We, therefore, recommend further multicentric studies in order to design a standardized protocol of ultrasound follow-up for all chronic HD patients’ hydration status assessments.
基金Supported by the Science and Technology Planning Project of Sichuan Province,China(2020YJ0135)National Natural Science Foundation of China(51874250)。
文摘Shale samples of Silurian Longmaxi Formation in the Changning area of the Sichuan Basin, SW China, were selected to carry out scanning electron microscopy, CT imaging, high-pressure mercury injection, low-temperature nitrogen adsorption and imbibition experiments to compare the hydration characteristics of montmorillonite and illite, analyze the main factors affecting the water block removal of shale, and reveal the mechanisms of pore structure evolution during shale hydration. The hydration characteristics of shale are closely related to the composition of clay minerals, the shale with high illite content is not susceptible to hydration and thus has limited room for pore structure improvement;the shale with high montmorillonite is susceptible to hydration expansion and thus has higher potential of pore structure improvement by stimulation;the shale with high illite content has stronger imbibition in the initial stage, but insufficient diffusion ability, and thus is likely to have water block;the shale with high montmorillonite content has weaker imbibition in the initial stage but better water diffusion, so water blocking in this kind of shale can be removed to some degree;the shale reservoir has an optimal hydration time, when it is best in physical properties, but hydration time too long would cause damage to the reservoir, and the shale with high illite content has a shorter optimal hydration time;inorganic cations can inhibit the hydration of clay minerals and have stronger inhibition to illite expansion, especially K^(+);for the reservoir with high content of montmorillonite, the cation content of fracturing fluid can be lowered to promote the shale hydration;fracturing fluid with high K^(+) content can be injected into reservoirs with high illite content to suppress hydration.
