In this study, two-dimensional correlation spectroscopy integrated with synchronous fluorescence and infrared absorption spectroscopy was employed to investigate the interaction between humic acids and aluminum coagul...In this study, two-dimensional correlation spectroscopy integrated with synchronous fluorescence and infrared absorption spectroscopy was employed to investigate the interaction between humic acids and aluminum coagulant at slightly acidic and neutral p H. Higher fluorescence quenching was produced for fulvic-like and humic-like fractions at p H 5. At p H 5, the humic-like fractions originating from the carboxylic acid, carboxyl and polysaccharide compounds were bound to aluminum first, followed by the fulvic-like fractions originating from the carboxyl and polysaccharide compounds. This finding also demonstrated that the activated functional groups of HA were involved in forming the Al-HA complex, which was accompanied by the removal of other groups by co-precipitation.Meanwhile, at p H 7, almost no fluorescence quenching occurred, and surface complexation was observed to occur, in which the activated functional groups were absorbed on the amorphous Al（OH）3. Two-dimensional FT-IR correlation spectroscopy indicated the sequence of HA structural change during coagulation with aluminum, with IR bands affected in the order of COOH〉 COO-〉NH deformation of amide Ⅱ〉 aliphatic hydroxyl C／OH at p H 5, and COO-〉aliphatic hydroxyl C／OH at p H 7. This study provides a promising pathway for analysis and insight into the priority of functional groups in the interaction between organic matters and metal coagulants.展开更多
Generalized two-dimensional correlation spectroscopy （2DCOS） and its derivate technique, perturbation correlation moving window （PCMW）, have found great potential in studying a series of physico-chemical phenomena...Generalized two-dimensional correlation spectroscopy （2DCOS） and its derivate technique, perturbation correlation moving window （PCMW）, have found great potential in studying a series of physico-chemical phenomena in stimuli-responsive polymeric systems. By spreading peaks along a second dimension, 2DCOS can significantly enhance spectral resolution and discern the sequence of group dynamics applicable to various external perturbation-induced spectroscopic changes, especially in infrared （IR）, near-infrared （NIR） and Raman spectroscopy. On the basis of 2DCOS synchronous power spectra changing, PCMW proves to be a powerful tool to monitor complicated spectral variations and to find transition points and ranges. This article reviews the recent work of our research group in the application of 2DCOS and PCMW in thermoresponsive polymers, mainly focused on liquid crystalline polymers and lower critical solution temperature （LCST）-type polymers. Details of group motions and chain conformational changes upon temperature perturbation can thus be elucidated at the molecular level, which contribute to the understanding of their phase transition nature.展开更多
The adsorption behavior of butyl xanthate on the surface of lead oxide was investigated using continuous online in situ attenuated total reflectance Fourier transform infrared（ATR-FTIR） spectroscopy technique and tw...The adsorption behavior of butyl xanthate on the surface of lead oxide was investigated using continuous online in situ attenuated total reflectance Fourier transform infrared（ATR-FTIR） spectroscopy technique and two dimensional（2D） correlation analysis.The adsorbed layer studied was prepared by coating α-PbO particles onto the surfaces of the ZnSe crystal.The appearance of spectral peaks at 1203 cm^-1,1033 cm^-1 and their red shift indicated the formation and aggregation of xanthate at the surface of α-PbO.According to 1R intensity changes after rinsing with deionized water and a NaOH solution,the adsorption was proved to be a chemisorption type.The competition between xanthate and OH^- for the surfaces leads to desorption of xanthate at higher pH.The technique of 2D correlation ATR-FTIR spectroscopy was used to evaluate the changing order of spectral intensities in the adsorption process,and the results indicated that xanthate micelles were formed at the surfaces.The adsorption kinetics of butyl xanthate was found to be a pseudo-second-order reaction model and the adsorption capacity of butyl xanthate at α-PbO was as high as 281 mg g^-1 after 150 min.展开更多
A number of useful techniques associated with two-dimensional correlation spectroscopy(2DCOS)to improve its performance and utility have been developed in the last 30years.Evolution of these 2DCOS techniques,including...A number of useful techniques associated with two-dimensional correlation spectroscopy(2DCOS)to improve its performance and utility have been developed in the last 30years.Evolution of these 2DCOS techniques,including some of the very recent developments,is reviewed with examples.Topics include merged or modified asynchronous 2Dcorrelation spectrum,two-dimensional codistribution spectroscopy(2DCDS),Pareto scaling,and null-space projection treatment of spectral dataset.展开更多
In the present study,thermal behavior and crystal transition of pure poly(butylene adipate)(PBA)upon heating process were investigated by FTIR spectroscopy.To gain further insight into the thermal behavior alteration ...In the present study,thermal behavior and crystal transition of pure poly(butylene adipate)(PBA)upon heating process were investigated by FTIR spectroscopy.To gain further insight into the thermal behavior alteration and the phase transition of PBA,we performed two-dimensional(2D)correlation analysis.We found thatβ-form PBA crystal undergoes not only the melting process but also crystal transition upon the heating process.展开更多
A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensi...A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensional(PCMW2D)and two-dimensional correlation(2DCOS)analyses were applied to the amideⅠband and thus the hydrogen bond interaction between SPI and Gly was systematically investigated.When Gly concentrations were in the range 0~35%,the hydrogen bond amongβ-sheets was replaced by the one between SPI chain and Gly molecule,which caused these protein chains being changed toα-helix.However,the transformation ofβ-sheet toα-helix was saturated and both of them tend to change to random coil when Gly concentrations were in the range 35%~60%.展开更多
Chinese liquor Moutai is the “National alcoholic drink” in China and plays a very important role of social activities in Chinese people’s life. In pursuit of high profits, some illegal counterfeit Moutai liquors ha...Chinese liquor Moutai is the “National alcoholic drink” in China and plays a very important role of social activities in Chinese people’s life. In pursuit of high profits, some illegal counterfeit Moutai liquors have begun to appear in the market. Therefore, it is an urgent need for new techniques to discriminate the genuine and counterfeit Moutai liquor. In this work, the conventional Ultraviolet-Visible (UV-Vis) spectroscopy and two-dimensional correlation UV-Vis spectroscopy are applied to obtain the UV-Vis characteristic of Moutai liquor and counterfeit one, respectively. The experimental results reveal that the conventional UV-Vis spectra of the genuine and counterfeit Moutai liquor are similar. However, the two-dimensional correlation UV-Vis spectra of them are different and this method would be applied to differentiate the counterfeit Moutai liquor from the genuine Moutai liquor. Compared with conventional methods, this novel method has the advantages of easy operation, simple instrumentation and direct recognition, which make it a potential tool in the fields of food safety.展开更多
A novel compound, （4,4＇-Hbpy）3[NaMo8O26]（4,4＇-bpy）2（H2O）4 1 （bpy=bipydine）, was synthesized by the hydrothermal method. Single-crystal X-ray diffraction shows that compound 1 belongs to the monoclinic system...A novel compound, （4,4＇-Hbpy）3[NaMo8O26]（4,4＇-bpy）2（H2O）4 1 （bpy=bipydine）, was synthesized by the hydrothermal method. Single-crystal X-ray diffraction shows that compound 1 belongs to the monoclinic system, space group C2/m with a=19.1921（5）, b=18.6931（6）, c=9.3821（3） A° β=104.8020（11）°, V=3254.22（17）A°^3 C50H51Mo8N10NaO30, Mr=2062.52, Z=2, F（000）=2016, μ=1.591 mm^-1 and Dc=2.105 g/cm^3. The final R=0.0283 and wR=0.0912 for 3118 observed reflections （I〉20（I））. Compound 1 contains the β-[Mo8O26]^4-anion, sodium ion, 4,4＇-bpy and lattice crystalline water molecules. The β-[MosO26] units link the sodium ion to form a chain structure. The infinitechains of [Na（Mo8O26）]^3- blocks are surrounded by protonized 4,4＇-bpy cations, 4,4＇-bpy and lattice crystalline water molecules. The 2D-IR correlation spectroscopy study indicates that the stretching vibrations of Mo=O occur more preferentially due to the thermal effect. The TGA analysis shows that compound 1 has high thermal stability.展开更多
The characteristics of effluent organic matter(EfOM) from a wastewater treatment plant(WWTP) during ozonation were investigated using excitation and emission matrix(EEM)spectra, Fourier transform infrared spectroscopy...The characteristics of effluent organic matter(EfOM) from a wastewater treatment plant(WWTP) during ozonation were investigated using excitation and emission matrix(EEM)spectra, Fourier transform infrared spectroscopy(FT-IR) and high-performance size exclusion chromatography(HPSEC) at different ozone dosages. The selectivity of ozonation towards different constituents and functional groups was analysed using two-dimensional correlation spectra(2D-COS) probed by FT-IR, synchronous fluorescence spectra and HPSEC.The results indicated that ozonation can destroy aromatic structures of EfOM and change its molecular weight distribution(MWD). According to 2D-COS analysis, microbial humiclike substances were preferentially removed, and then the protein-like fractions. Terrestrial humic-like components exhibited inactivity towards ozonation compared with the above two fractions. Protein-like substances with small molecular weight were preferentially reacted during ozonation based on 2D-COS probed by HPSEC. In addition, the selectivity of ozone towards different functional groups of EfOM exhibited the following sequence:phenolic and alcoholic C\O groups > aromatic structures containing C_C double bonds >aliphatic C\H. X-ray photoelectron spectroscopy(XPS) further elucidated the preferential reaction of aromatic structures in EfOM during ozonation.展开更多
Two dimensional asynchronous spectra were used to characterize coordination between carbonyl group of butanone and metal ions by using an approach proposed in our recent paper.Spectral variation of n-π^＊transition b...Two dimensional asynchronous spectra were used to characterize coordination between carbonyl group of butanone and metal ions by using an approach proposed in our recent paper.Spectral variation of n-π^＊transition band of carbonyl group is used to probe the coordination even if metal ions does not possess any characteristic peak in spectra.Experimental results indicate that Ca^2＋ and Al^3＋ show considerable ability to coordinate with the carbonyl group of butanone and bring about spectral variation of the n-π-＊transition band,which is manifested by cross peaks in 2D asynchronous spectra.展开更多
Lanthanum modified materials have been widely used for the removal of hazardous anions.In this study,in situ ATR-FTIR and two-dimensional correlation analysis were employed to investigate the adsorption mechanism of a...Lanthanum modified materials have been widely used for the removal of hazardous anions.In this study,in situ ATR-FTIR and two-dimensional correlation analysis were employed to investigate the adsorption mechanism of arsenate（As（V）） on lanthanum-impregnated activated alumina（LAA）.Our results showed that electrostatic interaction attracted As（V） anions to the LAA surface,and then As（V） could form monodentate configuration on the LAA surface at pH 5-9.The result of 2D-COS showed that two coexistent adsorbed As（V） species,H2AsO4^- and HAsO4^2-,were adsorbed on the LAA surface without specific sequence at different pH conditions,indicating a negligible role of the incorporated protons of As（V） on the adsorption affinity to LAA surface.The results of this study reveal insights into LAA surface complexes on the molecular scale and provide theoretical support to new metal oxides design for efficient arsenic removal.展开更多
Recent noteworthy developments in the field of two-dimensional（2D） correlation spectroscopy are reviewed.2D correlation spectroscopy has become a very popular tool due to its versatility and relative ease of use.The...Recent noteworthy developments in the field of two-dimensional（2D） correlation spectroscopy are reviewed.2D correlation spectroscopy has become a very popular tool due to its versatility and relative ease of use.The technique utilizes a spectroscopic or other analytical probe from a number of selections for a broad range of sample systems by employing different types of external perturbations to induce systematic variations in intensities of spectra.Such spectral intensity variations are then converted into2 D spectra by a form of correlation analysis for subsequent interpretation.Many different types of 2D correlation approaches have been proposed.In particular,2D hetero-correlation and multiple perturbation correlation analyses,including orthogonal sample design scheme,are discussed in this review.Additional references to other important developments in the field of 2D correlation spectroscopy,such as projection correlation and codistribution analysis,were also provided.展开更多
This paper demonstrates the application of step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy(FTIR-PAS)in non-destructively depth profiling of styrene-butadiene-styrene block copolymer/po...This paper demonstrates the application of step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy(FTIR-PAS)in non-destructively depth profiling of styrene-butadiene-styrene block copolymer/polyethylene terephthalate(SBS/PET)layered materials.The surface thicknesses of three layered samples were determined to be 1.2,4.3 and 9.4μm by using phase difference analysis,overcoming the spatial detection limits of FTIR.Combined with generalized two-dimensional(G2D)FTIR correlation analysis,the spatial origins of peaks in the SBS/PET spectrum are identified with those having overlapping peaks between different layers are resolved.展开更多
The two-dimensional grating serves as a critical component in plane grating interferometers for achieving high-precision multidimensional displacement measurements.The calibration of grating groove density and orthogo...The two-dimensional grating serves as a critical component in plane grating interferometers for achieving high-precision multidimensional displacement measurements.The calibration of grating groove density and orthogonality error of grating grooves not only improves the positioning accuracy of grating interferometers but also provides essential feedback for optimizing two-dimensional grating fabrication.This study proposes a method for simultaneous calibration of these parameters using orthogonal heterodyne laser interferometry.A two-dimensional grating interferometer is built with the grating to be measured,and a biaxial laser interferometer provides a displacement reference for it.The phase mapping relationship between grating interference and laser interference is established.The interference phase information obtained by any two displacements can simultaneously solve the above three parameters and obtain the grating installation error.The feasibility of the proposed method is verified by using a 1200 gr/mm two-dimensional grating.The standard deviation of the grating groove density in the X and Y directions is 0.012 gr/mm and 0.014 gr/mm,respectively.The standard deviation of the orthogonality error of grating grooves is 0.004°,and the standard deviation of the installation error is 0.002°.Compared with the atomic force microscope method,the consistency of the grating groove density in the X and Y directions is better than 0.03 gr/mm and 0.06 gr/mm,and the orthogonality error of grating grooves is better than 0.008°.The experimental results show that the proposed method can be simply and efficiently applied to the calibration of the grating line parameters of the two-dimensional grating.展开更多
It is known that correlation does not imply causality.Some relationships identified in the analysis of data are coincidental or unknown,and some are produced by real-world causality of the situation,which is problemat...It is known that correlation does not imply causality.Some relationships identified in the analysis of data are coincidental or unknown,and some are produced by real-world causality of the situation,which is problematic,since there is a need to differentiate between these two scenarios.Until recently,the proper−semantic−causality of the relationship could have been determined only by human experts from the area of expertise of the studied data.This has changed with the advance of large language models,which are often utilized as surrogates for such human experts,making the process automated and readily available to all data analysts.This motivates the main objective of this work,which is to introduce the design and implementation of a large language model-based semantic causality evaluator based on correlation analysis,together with its visual analysis model called Causal heatmap.After the implementation itself,the model is evaluated from the point of view of the quality of the visual model,from the point of view of the quality of causal evaluation based on large language models,and from the point of view of comparative analysis,while the results reached in the study highlight the usability of large language models in the task and the potential of the proposed approach in the analysis of unknown datasets.The results of the experimental evaluation demonstrate the usefulness of the Causal heatmap method,supported by the evident highlighting of interesting relationships,while suppressing irrelevant ones.展开更多
The respiratory-circulatory system, including organs such as the nose, pharynx, larynx, trachea, bronchi, and heart, is an organic community responsible for ventilation and gas exchange. The integrity of its anatomica...The respiratory-circulatory system, including organs such as the nose, pharynx, larynx, trachea, bronchi, and heart, is an organic community responsible for ventilation and gas exchange. The integrity of its anatomical structure directly affects the evolution of pathological processes, and the analysis of their correlation is a core entry point for clinical disease diagnosis, treatment, and mechanism research. Based on this, this paper mainly explores the correlation between the anatomical and pathological characteristics of the respiratory-circulatory system, aiming to provide anatomical and pathological theoretical support for clinical accurate diagnosis, targeted therapy, and prognosis evaluation.展开更多
As emerging two-dimensional(2D)materials,carbides and nitrides(MXenes)could be solid solutions or organized structures made up of multi-atomic layers.With remarkable and adjustable electrical,optical,mechanical,and el...As emerging two-dimensional(2D)materials,carbides and nitrides(MXenes)could be solid solutions or organized structures made up of multi-atomic layers.With remarkable and adjustable electrical,optical,mechanical,and electrochemical characteristics,MXenes have shown great potential in brain-inspired neuromorphic computing electronics,including neuromorphic gas sensors,pressure sensors and photodetectors.This paper provides a forward-looking review of the research progress regarding MXenes in the neuromorphic sensing domain and discussed the critical challenges that need to be resolved.Key bottlenecks such as insufficient long-term stability under environmental exposure,high costs,scalability limitations in large-scale production,and mechanical mismatch in wearable integration hinder their practical deployment.Furthermore,unresolved issues like interfacial compatibility in heterostructures and energy inefficiency in neu-romorphic signal conversion demand urgent attention.The review offers insights into future research directions enhance the fundamental understanding of MXene properties and promote further integration into neuromorphic computing applications through the convergence with various emerging technologies.展开更多
Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of a...Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of available material systems,making the identification of novel 2D multilayer kagome candidates particularly important.In this work,three types of 2D materials with trilayer kagome lattices,namely Sc_(6)S_(5)X_(6)(X=Cl,Br,I),are predicted based on first-principles calculations.These 2D materials feature two kagome lattices composed of Sc atoms and one kagome lattice composed of S atoms.Stability analysis indicates that these materials can exist as free-standing 2D materials.Electronic structure calculations reveal that Sc_(6)S_(5)X_(6)are narrow-bandgap semiconductors(0.76–0.95 e V),with their band structures exhibiting flat bands contributed by Sc-based kagome lattices and Dirac band gaps resulting from symmetry breaking.The sulfur-based kagome lattice in the central layer contributes an independent flat band below the Fermi level.Additionally,Sc_(6)S_(5)X_(6)exhibit high carrier mobility,with hole and electron mobilities reaching up to 10^(3)cm^(2)·V^(-1)·s^(-1),indicating potential applications in low-dimensional electronic devices.This work provides an excellent example for the development of novel multilayer 2D kagome materials.展开更多
Objective: To understand the current status of peer caring behavior and empathy among undergraduate nursing students and to explore the relationship between the two. Method: Using the convenience sampling method, a qu...Objective: To understand the current status of peer caring behavior and empathy among undergraduate nursing students and to explore the relationship between the two. Method: Using the convenience sampling method, a questionnaire survey was conducted among 292 nursing students from a medical college in Jiangxi Province, using the Peer Caring Behavior Scale and the Jefferson Scale of Empathy. Results: The score for peer caring behavior among undergraduate nursing students was 85.00 (78.00-92.00), and the score for empathy was 101.00 (92.00-110.00). A positive correlation was found between the two (r = 0.362, p < 0.05). Conclusion: The level of peer caring behavior among undergraduate nursing students is above average, while their empathy level is moderate, with a positive correlation between the two. This suggests that nursing educators should strengthen the development of peer caring behavior, which may help enhance the empathy of undergraduate nursing students.展开更多
The Kagome metal CsV3Sb5 transitions from a weakly correlated state to a strongly correlated state upon Cr substitution;however,the mechanism driving this enhancement remains an open question.Here,we employed a combin...The Kagome metal CsV3Sb5 transitions from a weakly correlated state to a strongly correlated state upon Cr substitution;however,the mechanism driving this enhancement remains an open question.Here,we employed a combination of density functional theory and dynamical mean-field theory(DFT+DMFT)to systematically investigate the evolution of electronic correlations in the CsV_(3−x)Cr_(x)Sb_(5)(x=0,1,and 3)series.Our calculations revealed that Cr doping drives the system into a strongly correlated Hund’s metal phase,which is characterized by significant and orbital-dependent enhancements in the quasiparticle effective masses and electronic scattering rates.We trace the origin of this transition to the doping-induced shift from low-to high-spin atomic configurations.This preference for high-spin states,which is promoted by near-half-filling of the Cr-d orbitals,induces a pronounced orbital blocking effect that strengthens the correlations.Our findings establish that Hund’s coupling is the decisive factor governing the rich correlation physics in the CsV_(3−x)Cr_(x)Sb_(5) family,providing a tunable platform for exploring Hund’s metallicity.展开更多
基金supported by the National Key Technology Support Program(No.2014BAC13B06)the National Natural Science Foundation of China(Nos.51378414,51178376)+1 种基金the Program for Innovative Research Team in Shaanxi(No.2013KCT-13)the Program for New Century Excellent Talents in the University of Ministry of Education of China(No.NCET-12-1043)
文摘In this study, two-dimensional correlation spectroscopy integrated with synchronous fluorescence and infrared absorption spectroscopy was employed to investigate the interaction between humic acids and aluminum coagulant at slightly acidic and neutral p H. Higher fluorescence quenching was produced for fulvic-like and humic-like fractions at p H 5. At p H 5, the humic-like fractions originating from the carboxylic acid, carboxyl and polysaccharide compounds were bound to aluminum first, followed by the fulvic-like fractions originating from the carboxyl and polysaccharide compounds. This finding also demonstrated that the activated functional groups of HA were involved in forming the Al-HA complex, which was accompanied by the removal of other groups by co-precipitation.Meanwhile, at p H 7, almost no fluorescence quenching occurred, and surface complexation was observed to occur, in which the activated functional groups were absorbed on the amorphous Al（OH）3. Two-dimensional FT-IR correlation spectroscopy indicated the sequence of HA structural change during coagulation with aluminum, with IR bands affected in the order of COOH〉 COO-〉NH deformation of amide Ⅱ〉 aliphatic hydroxyl C／OH at p H 5, and COO-〉aliphatic hydroxyl C／OH at p H 7. This study provides a promising pathway for analysis and insight into the priority of functional groups in the interaction between organic matters and metal coagulants.
基金financially supported by the National Natural Science Foundation of China(Nos.21274030,51473038 and 21604024)the Natural Science Foundation of Shanghai(No.17ZR1440400)+1 种基金the Open Project of State Key Laboratory of Chemical Engineering(No.SKL-Ch E-16C02)“Chenguang Plan”
文摘Generalized two-dimensional correlation spectroscopy （2DCOS） and its derivate technique, perturbation correlation moving window （PCMW）, have found great potential in studying a series of physico-chemical phenomena in stimuli-responsive polymeric systems. By spreading peaks along a second dimension, 2DCOS can significantly enhance spectral resolution and discern the sequence of group dynamics applicable to various external perturbation-induced spectroscopic changes, especially in infrared （IR）, near-infrared （NIR） and Raman spectroscopy. On the basis of 2DCOS synchronous power spectra changing, PCMW proves to be a powerful tool to monitor complicated spectral variations and to find transition points and ranges. This article reviews the recent work of our research group in the application of 2DCOS and PCMW in thermoresponsive polymers, mainly focused on liquid crystalline polymers and lower critical solution temperature （LCST）-type polymers. Details of group motions and chain conformational changes upon temperature perturbation can thus be elucidated at the molecular level, which contribute to the understanding of their phase transition nature.
基金supported by the National Nature Science Foundation of China(Nos.51274104,50874052)National Key Basic Research Program of China(973,No.2011CB933700)
文摘The adsorption behavior of butyl xanthate on the surface of lead oxide was investigated using continuous online in situ attenuated total reflectance Fourier transform infrared（ATR-FTIR） spectroscopy technique and two dimensional（2D） correlation analysis.The adsorbed layer studied was prepared by coating α-PbO particles onto the surfaces of the ZnSe crystal.The appearance of spectral peaks at 1203 cm^-1,1033 cm^-1 and their red shift indicated the formation and aggregation of xanthate at the surface of α-PbO.According to 1R intensity changes after rinsing with deionized water and a NaOH solution,the adsorption was proved to be a chemisorption type.The competition between xanthate and OH^- for the surfaces leads to desorption of xanthate at higher pH.The technique of 2D correlation ATR-FTIR spectroscopy was used to evaluate the changing order of spectral intensities in the adsorption process,and the results indicated that xanthate micelles were formed at the surfaces.The adsorption kinetics of butyl xanthate was found to be a pseudo-second-order reaction model and the adsorption capacity of butyl xanthate at α-PbO was as high as 281 mg g^-1 after 150 min.
文摘A number of useful techniques associated with two-dimensional correlation spectroscopy(2DCOS)to improve its performance and utility have been developed in the last 30years.Evolution of these 2DCOS techniques,including some of the very recent developments,is reviewed with examples.Topics include merged or modified asynchronous 2Dcorrelation spectrum,two-dimensional codistribution spectroscopy(2DCDS),Pareto scaling,and null-space projection treatment of spectral dataset.
文摘In the present study,thermal behavior and crystal transition of pure poly(butylene adipate)(PBA)upon heating process were investigated by FTIR spectroscopy.To gain further insight into the thermal behavior alteration and the phase transition of PBA,we performed two-dimensional(2D)correlation analysis.We found thatβ-form PBA crystal undergoes not only the melting process but also crystal transition upon the heating process.
文摘A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensional(PCMW2D)and two-dimensional correlation(2DCOS)analyses were applied to the amideⅠband and thus the hydrogen bond interaction between SPI and Gly was systematically investigated.When Gly concentrations were in the range 0~35%,the hydrogen bond amongβ-sheets was replaced by the one between SPI chain and Gly molecule,which caused these protein chains being changed toα-helix.However,the transformation ofβ-sheet toα-helix was saturated and both of them tend to change to random coil when Gly concentrations were in the range 35%~60%.
文摘Chinese liquor Moutai is the “National alcoholic drink” in China and plays a very important role of social activities in Chinese people’s life. In pursuit of high profits, some illegal counterfeit Moutai liquors have begun to appear in the market. Therefore, it is an urgent need for new techniques to discriminate the genuine and counterfeit Moutai liquor. In this work, the conventional Ultraviolet-Visible (UV-Vis) spectroscopy and two-dimensional correlation UV-Vis spectroscopy are applied to obtain the UV-Vis characteristic of Moutai liquor and counterfeit one, respectively. The experimental results reveal that the conventional UV-Vis spectra of the genuine and counterfeit Moutai liquor are similar. However, the two-dimensional correlation UV-Vis spectra of them are different and this method would be applied to differentiate the counterfeit Moutai liquor from the genuine Moutai liquor. Compared with conventional methods, this novel method has the advantages of easy operation, simple instrumentation and direct recognition, which make it a potential tool in the fields of food safety.
基金This work was supported by the Foundation of Education Committee of Fujian Province (K02028, JB04049), the State Key Laboratory of Structural Chemistry, and Science and Technology Foundation of Fuzhou University
文摘A novel compound, （4,4＇-Hbpy）3[NaMo8O26]（4,4＇-bpy）2（H2O）4 1 （bpy=bipydine）, was synthesized by the hydrothermal method. Single-crystal X-ray diffraction shows that compound 1 belongs to the monoclinic system, space group C2/m with a=19.1921（5）, b=18.6931（6）, c=9.3821（3） A° β=104.8020（11）°, V=3254.22（17）A°^3 C50H51Mo8N10NaO30, Mr=2062.52, Z=2, F（000）=2016, μ=1.591 mm^-1 and Dc=2.105 g/cm^3. The final R=0.0283 and wR=0.0912 for 3118 observed reflections （I〉20（I））. Compound 1 contains the β-[Mo8O26]^4-anion, sodium ion, 4,4＇-bpy and lattice crystalline water molecules. The β-[MosO26] units link the sodium ion to form a chain structure. The infinitechains of [Na（Mo8O26）]^3- blocks are surrounded by protonized 4,4＇-bpy cations, 4,4＇-bpy and lattice crystalline water molecules. The 2D-IR correlation spectroscopy study indicates that the stretching vibrations of Mo=O occur more preferentially due to the thermal effect. The TGA analysis shows that compound 1 has high thermal stability.
基金supported by the National Key Technology Support Program (No.2014BAC13B06)the National Natural Science Foundation of China (Nos.51708443,51378414)+2 种基金the National Key Research and Development Program of China (No.2016YFC0400701)the China Postdoctoral Science Foundation (No.2017M623326XB)the Program for Innovative Research Teams in Shaanxi (No.2013KCT-13)
文摘The characteristics of effluent organic matter(EfOM) from a wastewater treatment plant(WWTP) during ozonation were investigated using excitation and emission matrix(EEM)spectra, Fourier transform infrared spectroscopy(FT-IR) and high-performance size exclusion chromatography(HPSEC) at different ozone dosages. The selectivity of ozonation towards different constituents and functional groups was analysed using two-dimensional correlation spectra(2D-COS) probed by FT-IR, synchronous fluorescence spectra and HPSEC.The results indicated that ozonation can destroy aromatic structures of EfOM and change its molecular weight distribution(MWD). According to 2D-COS analysis, microbial humiclike substances were preferentially removed, and then the protein-like fractions. Terrestrial humic-like components exhibited inactivity towards ozonation compared with the above two fractions. Protein-like substances with small molecular weight were preferentially reacted during ozonation based on 2D-COS probed by HPSEC. In addition, the selectivity of ozone towards different functional groups of EfOM exhibited the following sequence:phenolic and alcoholic C\O groups > aromatic structures containing C_C double bonds >aliphatic C\H. X-ray photoelectron spectroscopy(XPS) further elucidated the preferential reaction of aromatic structures in EfOM during ozonation.
基金financially supported by the National Natural Science Foundation of China(No.51373003)Beijing Natural Science Foundation(No.2122059)
文摘Two dimensional asynchronous spectra were used to characterize coordination between carbonyl group of butanone and metal ions by using an approach proposed in our recent paper.Spectral variation of n-π^＊transition band of carbonyl group is used to probe the coordination even if metal ions does not possess any characteristic peak in spectra.Experimental results indicate that Ca^2＋ and Al^3＋ show considerable ability to coordinate with the carbonyl group of butanone and bring about spectral variation of the n-π-＊transition band,which is manifested by cross peaks in 2D asynchronous spectra.
基金supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB14020201)the National Basic Research Program of China(No. 2014CB441102)+1 种基金the National Natural Science Foundation of China(No.21477144)the Young Scientists Fund of RCEES, RCEES-QN-20130017F
文摘Lanthanum modified materials have been widely used for the removal of hazardous anions.In this study,in situ ATR-FTIR and two-dimensional correlation analysis were employed to investigate the adsorption mechanism of arsenate（As（V）） on lanthanum-impregnated activated alumina（LAA）.Our results showed that electrostatic interaction attracted As（V） anions to the LAA surface,and then As（V） could form monodentate configuration on the LAA surface at pH 5-9.The result of 2D-COS showed that two coexistent adsorbed As（V） species,H2AsO4^- and HAsO4^2-,were adsorbed on the LAA surface without specific sequence at different pH conditions,indicating a negligible role of the incorporated protons of As（V） on the adsorption affinity to LAA surface.The results of this study reveal insights into LAA surface complexes on the molecular scale and provide theoretical support to new metal oxides design for efficient arsenic removal.
文摘Recent noteworthy developments in the field of two-dimensional（2D） correlation spectroscopy are reviewed.2D correlation spectroscopy has become a very popular tool due to its versatility and relative ease of use.The technique utilizes a spectroscopic or other analytical probe from a number of selections for a broad range of sample systems by employing different types of external perturbations to induce systematic variations in intensities of spectra.Such spectral intensity variations are then converted into2 D spectra by a form of correlation analysis for subsequent interpretation.Many different types of 2D correlation approaches have been proposed.In particular,2D hetero-correlation and multiple perturbation correlation analyses,including orthogonal sample design scheme,are discussed in this review.Additional references to other important developments in the field of 2D correlation spectroscopy,such as projection correlation and codistribution analysis,were also provided.
基金support from the Young Scholars'Research Funds of Beijing University of Chemical Technology(QN0728)
文摘This paper demonstrates the application of step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy(FTIR-PAS)in non-destructively depth profiling of styrene-butadiene-styrene block copolymer/polyethylene terephthalate(SBS/PET)layered materials.The surface thicknesses of three layered samples were determined to be 1.2,4.3 and 9.4μm by using phase difference analysis,overcoming the spatial detection limits of FTIR.Combined with generalized two-dimensional(G2D)FTIR correlation analysis,the spatial origins of peaks in the SBS/PET spectrum are identified with those having overlapping peaks between different layers are resolved.
文摘The two-dimensional grating serves as a critical component in plane grating interferometers for achieving high-precision multidimensional displacement measurements.The calibration of grating groove density and orthogonality error of grating grooves not only improves the positioning accuracy of grating interferometers but also provides essential feedback for optimizing two-dimensional grating fabrication.This study proposes a method for simultaneous calibration of these parameters using orthogonal heterodyne laser interferometry.A two-dimensional grating interferometer is built with the grating to be measured,and a biaxial laser interferometer provides a displacement reference for it.The phase mapping relationship between grating interference and laser interference is established.The interference phase information obtained by any two displacements can simultaneously solve the above three parameters and obtain the grating installation error.The feasibility of the proposed method is verified by using a 1200 gr/mm two-dimensional grating.The standard deviation of the grating groove density in the X and Y directions is 0.012 gr/mm and 0.014 gr/mm,respectively.The standard deviation of the orthogonality error of grating grooves is 0.004°,and the standard deviation of the installation error is 0.002°.Compared with the atomic force microscope method,the consistency of the grating groove density in the X and Y directions is better than 0.03 gr/mm and 0.06 gr/mm,and the orthogonality error of grating grooves is better than 0.008°.The experimental results show that the proposed method can be simply and efficiently applied to the calibration of the grating line parameters of the two-dimensional grating.
基金supported by University Grant Agency of Matej Bel University in Banská Bystrica project number UGA-14-PDS-2025.
文摘It is known that correlation does not imply causality.Some relationships identified in the analysis of data are coincidental or unknown,and some are produced by real-world causality of the situation,which is problematic,since there is a need to differentiate between these two scenarios.Until recently,the proper−semantic−causality of the relationship could have been determined only by human experts from the area of expertise of the studied data.This has changed with the advance of large language models,which are often utilized as surrogates for such human experts,making the process automated and readily available to all data analysts.This motivates the main objective of this work,which is to introduce the design and implementation of a large language model-based semantic causality evaluator based on correlation analysis,together with its visual analysis model called Causal heatmap.After the implementation itself,the model is evaluated from the point of view of the quality of the visual model,from the point of view of the quality of causal evaluation based on large language models,and from the point of view of comparative analysis,while the results reached in the study highlight the usability of large language models in the task and the potential of the proposed approach in the analysis of unknown datasets.The results of the experimental evaluation demonstrate the usefulness of the Causal heatmap method,supported by the evident highlighting of interesting relationships,while suppressing irrelevant ones.
文摘The respiratory-circulatory system, including organs such as the nose, pharynx, larynx, trachea, bronchi, and heart, is an organic community responsible for ventilation and gas exchange. The integrity of its anatomical structure directly affects the evolution of pathological processes, and the analysis of their correlation is a core entry point for clinical disease diagnosis, treatment, and mechanism research. Based on this, this paper mainly explores the correlation between the anatomical and pathological characteristics of the respiratory-circulatory system, aiming to provide anatomical and pathological theoretical support for clinical accurate diagnosis, targeted therapy, and prognosis evaluation.
基金supported by the NSFC(12474071)Natural Science Foundation of Shandong Province(ZR2024YQ051,ZR2025QB50)+6 种基金Guangdong Basic and Applied Basic Research Foundation(2025A1515011191)the Shanghai Sailing Program(23YF1402200,23YF1402400)funded by Basic Research Program of Jiangsu(BK20240424)Open Research Fund of State Key Laboratory of Crystal Materials(KF2406)Taishan Scholar Foundation of Shandong Province(tsqn202408006,tsqn202507058)Young Talent of Lifting engineering for Science and Technology in Shandong,China(SDAST2024QTB002)the Qilu Young Scholar Program of Shandong University。
文摘As emerging two-dimensional(2D)materials,carbides and nitrides(MXenes)could be solid solutions or organized structures made up of multi-atomic layers.With remarkable and adjustable electrical,optical,mechanical,and electrochemical characteristics,MXenes have shown great potential in brain-inspired neuromorphic computing electronics,including neuromorphic gas sensors,pressure sensors and photodetectors.This paper provides a forward-looking review of the research progress regarding MXenes in the neuromorphic sensing domain and discussed the critical challenges that need to be resolved.Key bottlenecks such as insufficient long-term stability under environmental exposure,high costs,scalability limitations in large-scale production,and mechanical mismatch in wearable integration hinder their practical deployment.Furthermore,unresolved issues like interfacial compatibility in heterostructures and energy inefficiency in neu-romorphic signal conversion demand urgent attention.The review offers insights into future research directions enhance the fundamental understanding of MXene properties and promote further integration into neuromorphic computing applications through the convergence with various emerging technologies.
基金supported by the Fundamental Research Funds for the Central Universities(WUT:2024IVA052 and Grant No.104972025KFYjc0089)。
文摘Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of available material systems,making the identification of novel 2D multilayer kagome candidates particularly important.In this work,three types of 2D materials with trilayer kagome lattices,namely Sc_(6)S_(5)X_(6)(X=Cl,Br,I),are predicted based on first-principles calculations.These 2D materials feature two kagome lattices composed of Sc atoms and one kagome lattice composed of S atoms.Stability analysis indicates that these materials can exist as free-standing 2D materials.Electronic structure calculations reveal that Sc_(6)S_(5)X_(6)are narrow-bandgap semiconductors(0.76–0.95 e V),with their band structures exhibiting flat bands contributed by Sc-based kagome lattices and Dirac band gaps resulting from symmetry breaking.The sulfur-based kagome lattice in the central layer contributes an independent flat band below the Fermi level.Additionally,Sc_(6)S_(5)X_(6)exhibit high carrier mobility,with hole and electron mobilities reaching up to 10^(3)cm^(2)·V^(-1)·s^(-1),indicating potential applications in low-dimensional electronic devices.This work provides an excellent example for the development of novel multilayer 2D kagome materials.
基金2024 University-level Research Project of Fuzhou Medical College,Fuzhou Medical College of Nanchang University(Project No.:fykj202406)。
文摘Objective: To understand the current status of peer caring behavior and empathy among undergraduate nursing students and to explore the relationship between the two. Method: Using the convenience sampling method, a questionnaire survey was conducted among 292 nursing students from a medical college in Jiangxi Province, using the Peer Caring Behavior Scale and the Jefferson Scale of Empathy. Results: The score for peer caring behavior among undergraduate nursing students was 85.00 (78.00-92.00), and the score for empathy was 101.00 (92.00-110.00). A positive correlation was found between the two (r = 0.362, p < 0.05). Conclusion: The level of peer caring behavior among undergraduate nursing students is above average, while their empathy level is moderate, with a positive correlation between the two. This suggests that nursing educators should strengthen the development of peer caring behavior, which may help enhance the empathy of undergraduate nursing students.
基金supported by the Development Program of China and the National Key Research (Grant Nos.2023YFA1406200 and 2022YFA1402304)the National Natural Science Foundation of China (Grant Nos.12274169 and 12122405)+3 种基金the Fundamental Research Funds for the Central Universitiesthe Innovation Team for Functional Materials and Devices for Informatics at Anhui Higher Education Institutes (Grant No.2024AH010024)the Natural Science Research Project of Education Department of Anhui Province (Grant No.2025AHGXZK31203)the PHD Research Startup Foundation of Fuyang Normal University (Grant No.2025KYQD0072)。
文摘The Kagome metal CsV3Sb5 transitions from a weakly correlated state to a strongly correlated state upon Cr substitution;however,the mechanism driving this enhancement remains an open question.Here,we employed a combination of density functional theory and dynamical mean-field theory(DFT+DMFT)to systematically investigate the evolution of electronic correlations in the CsV_(3−x)Cr_(x)Sb_(5)(x=0,1,and 3)series.Our calculations revealed that Cr doping drives the system into a strongly correlated Hund’s metal phase,which is characterized by significant and orbital-dependent enhancements in the quasiparticle effective masses and electronic scattering rates.We trace the origin of this transition to the doping-induced shift from low-to high-spin atomic configurations.This preference for high-spin states,which is promoted by near-half-filling of the Cr-d orbitals,induces a pronounced orbital blocking effect that strengthens the correlations.Our findings establish that Hund’s coupling is the decisive factor governing the rich correlation physics in the CsV_(3−x)Cr_(x)Sb_(5) family,providing a tunable platform for exploring Hund’s metallicity.
