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
Ten physical and environmental variables collected from an on-the-go soil sensor at two field sites (MF3E and MF11S) in Mississippi, USA, were analyzed to assess soil variability and the interrelationships among the m...Ten physical and environmental variables collected from an on-the-go soil sensor at two field sites (MF3E and MF11S) in Mississippi, USA, were analyzed to assess soil variability and the interrelationships among the measurements. At MF3E, moderate variability was observed in apparent electrical conductivity shallow (ECas), slope, and ECa ratio measurements, with coefficients of variation ranging from 20% to 27%. In contrast, MF11S exhibited higher variability, particularly in ECas and ECad (deep) measurements, which exceeded 30% in their coefficient of variation values, indicating significant differences in soil composition and moisture content. Correlation analysis revealed strong positive relationships between the near-infrared-to-red ratio and red reflectance (r = 0.897***) soil values at MF3E. MF11S demonstrated a strong negative correlation between ECas and ECad readings with the x-coordinate (r ***). Scatter plots and fitted models illustrated the complexity of relationships, with many showing nonlinear trends. These findings emphasize the need for continuous monitoring and advanced modeling to understand the dynamic nature of soil properties and their implications for agricultural practices. Future research should explore the underlying mechanisms driving variability in the soil characteristics to enhance soil management strategies at the study sites.展开更多
Since antiquity,humans have been involved in designing materials through alloying strategies to meet the ever-growing technological demands.In 2004,this endeavor witnessed a significant breakthrough with the discovery...Since antiquity,humans have been involved in designing materials through alloying strategies to meet the ever-growing technological demands.In 2004,this endeavor witnessed a significant breakthrough with the discovery of high-entropy alloys(HEAs)comprising multi-principal elements.Owing to the four“core-effects”,these alloys exhibit exceptional properties including better structural stability,high strength and ductility,improved fatigue/fracture toughness,high corrosion and oxidation resistance,superconductiv-ity,magnetic properties,and good thermal properties.Different synthesis routes have been designed and used to meet the properties of interest for particular applications with varying dimensions.How-ever,HEAs are providing new opportunities and challenges for computational modelling of the complex structure-property correlations and in predictions of phase stability necessary for optimum performance of the alloy.Several attempts have been made to understand these alloys by empirical and computa-tional models,and data-driven approaches to accelerate the materials discovery with a desired set of properties.The present review discusses advances and inferences from simulations and models spanning multiple length and time scales explaining a comprehensive set of structure-properties relations.Addi-tionally,the role of machine learning approaches is also reviewed,underscoring the transformative role of computational modelling in unravelling the multifaceted properties and applications of HEAs,and the scope for future efforts in this direction.展开更多
The proliferation of wearable biodevices has boosted the development of soft,innovative,and multifunctional materials for human health monitoring.The integration of wearable sensors with intelligent systems is an over...The proliferation of wearable biodevices has boosted the development of soft,innovative,and multifunctional materials for human health monitoring.The integration of wearable sensors with intelligent systems is an overwhelming tendency,providing powerful tools for remote health monitoring and personal health management.Among many candidates,two-dimensional(2D)materials stand out due to several exotic mechanical,electrical,optical,and chemical properties that can be efficiently integrated into atomic-thin films.While previous reviews on 2D materials for biodevices primarily focus on conventional configurations and materials like graphene,the rapid development of new 2D materials with exotic properties has opened up novel applications,particularly in smart interaction and integrated functionalities.This review aims to consolidate recent progress,highlight the unique advantages of 2D materials,and guide future research by discussing existing challenges and opportunities in applying 2D materials for smart wearable biodevices.We begin with an in-depth analysis of the advantages,sensing mechanisms,and potential applications of 2D materials in wearable biodevice fabrication.Following this,we systematically discuss state-of-the-art biodevices based on 2D materials for monitoring various physiological signals within the human body.Special attention is given to showcasing the integration of multi-functionality in 2D smart devices,mainly including self-power supply,integrated diagnosis/treatment,and human–machine interaction.Finally,the review concludes with a concise summary of existing challenges and prospective solutions concerning the utilization of2D materials for advanced biodevices.展开更多
Geomagnetic observatory data are crucial for all branches of geophysics because they can contribute to earthquake research by detecting anomalies in the Earth’s magnetic field.Recently,data records from the Misallat(...Geomagnetic observatory data are crucial for all branches of geophysics because they can contribute to earthquake research by detecting anomalies in the Earth’s magnetic field.Recently,data records from the Misallat(MLT)and Abu Simbel(ABS)Egyptian geomagnetic observatories were processed and found to be of good quality.In this study,Egyptian observatory data were tested during both quiet and disturbed events and compared with data from INTERMAGNET observatories worldwide at different latitudes and within a narrow range of longitudes in both hemispheres.This study investigated the relationships between magnetic field components from Egyptian observatories and those from INTERMAGNET observatories using graphical representations of the X components;Pearson’s correlation for the X,Y,Z,and F components;cross-correlation for the X component;and wavelet coherence for the F component.The results of this study showed a high correlation between Egyptian observatories and all utilized INTERMAGNET stations,except those located at high latitudes,during both quiet and disturbed events.Additionally,the study confirmed the observed consistency between Egyptian observatories and selected INTERMAGNET stations.Therefore,Egyptian observatories can feasibly fill the gap in the Middle East and North Africa.展开更多
BACKGROUND Resilience is an individual’s ability and psychological rebound capacity to adapt well after experiencing adversity,trauma,etc.Patients with strong resilience can face illnesses actively.AIM To determine t...BACKGROUND Resilience is an individual’s ability and psychological rebound capacity to adapt well after experiencing adversity,trauma,etc.Patients with strong resilience can face illnesses actively.AIM To determine the association of resilience with coping styles and quality of life in patients with malignancies.METHODS This study included patients with malignant tumors who were hospitalized at Fuyang Hospital Affiliated to Anhui Medical University from March 2022 to March 2024.The Connor-Davidson Resilience Scale,Medical Coping Modes Questionnaire,Social Support Rating Scale,and the European Organisation for Research and Treatment of Cancer Quality of Life Questionnaire Core 30 were utilized to assess patients’resilience,coping styles,social support,and quality of life,respectively.Pearson correlation analysis was conducted to assess the correlations.RESULTS A total of 175 patients with malignant tumors demonstrated no marked difference in terms of age,education level,employment status,monthly household income,and disease staging(P<0.05).Further,patients with malignancies demonstrated scores of 17.49±1.20,17.27±1.46,and 11.19±1.29 points in terms of coping styles in confrontation,avoidance,and resignation dimensions,respectively.Subjective support,objective support,and support utilization scores in terms of social support were 10.67±1.80,11.26±2.08,and 9.24±1.14 points,respectively.The total resilience score and tenacity,self-improvement,and optimism dimension scores were positively correlatedwith the confrontation coping style score,whereas the total resilience score and tenacity and self-improvementscores were negatively associated with avoidance and resignation coping style scores(P<0.05).The total resiliencescore and the tenacity dimension score were positively associated with physical,role,cognitive,emotional,andsocial functions,as well as global health status(P<0.05),and were inversely related to fatigue,insomnia,andeconomic difficulties(P<0.05).CONCLUSIONThe resilience of patients with malignancies is positively associated with the confrontation dimension in the copingstyle,the total and various social support domain scores,and the overall quality of life.Clinical medical staff needto pay attention to the effect of medical coping styles and social support on the resilience level of patients withmalignancies to further improve their quality of life.展开更多
Video snapshot compressive imaging(Video SCI) modulates scenes using various encoding masks and captures compressed measurements with a low-speed camera during a single exposure. Subsequently, reconstruction algorithm...Video snapshot compressive imaging(Video SCI) modulates scenes using various encoding masks and captures compressed measurements with a low-speed camera during a single exposure. Subsequently, reconstruction algorithms restore image sequences of dynamic scenes, offering advantages such as reduced bandwidth and storage space requirements. The temporal correlation in video data is crucial for Video SCI, as it leverages the temporal relationships among frames to enhance the efficiency and quality of reconstruction algorithms, particularly for fast-moving objects.This paper discretizes video frames to create image datasets with the same data volume but differing temporal correlations. We utilized the state-of-the-art(SOTA) reconstruction framework, EfficientSCI++, to train various compressed reconstruction models with these differing temporal correlations. Evaluating the reconstruction results from these models, our simulation experiments confirm that a reduction in temporal correlation leads to decreased reconstruction accuracy. Additionally, we simulated the reconstruction outcomes of datasets devoid of temporal correlation, illustrating that models trained on non-temporal data affect the temporal feature extraction capabilities of transformers, resulting in negligible impacts on the evaluation of reconstruction results for non-temporal correlation test datasets.展开更多
The Fushan Depression is one of the petroliferous depressions in the Beibuwan Basin,South China Sea.Previous studies have preliminarily explored the origin and source of crude oils in some areas of this depression.Nev...The Fushan Depression is one of the petroliferous depressions in the Beibuwan Basin,South China Sea.Previous studies have preliminarily explored the origin and source of crude oils in some areas of this depression.Nevertheless,no systematic investigations on the classification and origin of oils and hy-drocarbon migration processes have been made for the entire petroleum system in this depression,which has significantly hindered the hydrocarbon exploration in the region.A total of 32 mudstone and 58 oil samples from the Fushan Depression were analyzed to definite the detailed oil-source correlation within the sequence and sedimentary framework.The organic matter of third member of Paleogene Liushagang Formation(Els(3))source rocks,both deltaic and lacustrine mudstone,are algal-dominated with high abundance of C_(23)tricyclic terpane and C_(30)4-methylsteranes.The deltaic source rocks occur-ring in the first member(Els_(1))and second member(Els_(2))of the Paleogene Liushagang Formation are characterized by high abundance of C_(19+20)tricyclic terpane and oleanane,reflecting a more terrestrial plants contribution.While lacustrine source rocks of Els_(1)and Els_(2)display the reduced input of terrige-nous organic matter with relatively low abundance of C 19+20 tricyclic terpane and oleanane.Three types of oils were identified by their biomarker compositions in this study.Most of the oils discovered in the Huachang and Bailian Els_(1)reservoir belong to group A and were derived from lacustrine source rocks of Els_(1)and Els_(2).Group B oils are found within the Els_(1)and Els_(2)reservoirs,showing a close relation to the deltaic source rocks of Els_(1)and Els_(2),respectively.Group C oils,occurring in the Els3 reservoirs,have a good affinity with the Els3 source rocks.The spatial distribution and accumulation of different groups of oils are mainly controlled by the sedimentary facies and specific structural conditions.The Els_(2)reservoir in the Yong'an area belonging to Group B oil,are adjacent to the source kitchen and could be considered as the favorable exploration area in the future.展开更多
Passive acoustic monitoring(PAM)technology is increasingly becoming one of the mainstream methods for bird monitoring.However,detecting bird audio within complex natural acoustic environments using PAM devices remains...Passive acoustic monitoring(PAM)technology is increasingly becoming one of the mainstream methods for bird monitoring.However,detecting bird audio within complex natural acoustic environments using PAM devices remains a significant challenge.To enhance the accuracy(ACC)of bird audio detection(BAD)and reduce both false negatives and false positives,this study proposes a BAD method based on a Dual-Feature Enhancement Fusion Model(DFEFM).This method incorporates per-channel energy normalization(PCEN)to suppress noise in the input audio and utilizes mel-frequency cepstral coefficients(MFCC)and frequency correlation matrices(FCM)as input features.It achieves deep feature-level fusion of MFCC and FCM on the channel dimension through two independent multi-layer convolutional network branches,and further integrates Spatial and Channel Synergistic Attention(SCSA)and Multi-Head Attention(MHA)modules to enhance the fusion effect of the aforementioned two deep features.Experimental results on the DCASE2018 BAD dataset show that our proposed method achieved an ACC of 91.4%and an AUC value of 0.963,with false negative and false positive rates of 11.36%and 7.40%,respectively,surpassing existing methods.The method also demonstrated detection ACC above 92%and AUC values above 0.987 on datasets from three sites of different natural scenes in Beijing.Testing on the NVIDIA Jetson Nano indicated that the method achieved an ACC of 89.48%when processing an average of 10 s of audio,with a response time of only 0.557 s,showing excellent processing efficiency.This study provides an effective method for filtering non-bird vocalization audio in bird vocalization monitoring devices,which helps to save edge storage and information transmission costs,and has significant application value for wild bird monitoring and ecological research.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.
文摘Ten physical and environmental variables collected from an on-the-go soil sensor at two field sites (MF3E and MF11S) in Mississippi, USA, were analyzed to assess soil variability and the interrelationships among the measurements. At MF3E, moderate variability was observed in apparent electrical conductivity shallow (ECas), slope, and ECa ratio measurements, with coefficients of variation ranging from 20% to 27%. In contrast, MF11S exhibited higher variability, particularly in ECas and ECad (deep) measurements, which exceeded 30% in their coefficient of variation values, indicating significant differences in soil composition and moisture content. Correlation analysis revealed strong positive relationships between the near-infrared-to-red ratio and red reflectance (r = 0.897***) soil values at MF3E. MF11S demonstrated a strong negative correlation between ECas and ECad readings with the x-coordinate (r ***). Scatter plots and fitted models illustrated the complexity of relationships, with many showing nonlinear trends. These findings emphasize the need for continuous monitoring and advanced modeling to understand the dynamic nature of soil properties and their implications for agricultural practices. Future research should explore the underlying mechanisms driving variability in the soil characteristics to enhance soil management strategies at the study sites.
基金the Science and Engineering Re-search Board(SERB),India for providing the financial assistance to support this work(Project No.SRG/2020/002449).
文摘Since antiquity,humans have been involved in designing materials through alloying strategies to meet the ever-growing technological demands.In 2004,this endeavor witnessed a significant breakthrough with the discovery of high-entropy alloys(HEAs)comprising multi-principal elements.Owing to the four“core-effects”,these alloys exhibit exceptional properties including better structural stability,high strength and ductility,improved fatigue/fracture toughness,high corrosion and oxidation resistance,superconductiv-ity,magnetic properties,and good thermal properties.Different synthesis routes have been designed and used to meet the properties of interest for particular applications with varying dimensions.How-ever,HEAs are providing new opportunities and challenges for computational modelling of the complex structure-property correlations and in predictions of phase stability necessary for optimum performance of the alloy.Several attempts have been made to understand these alloys by empirical and computa-tional models,and data-driven approaches to accelerate the materials discovery with a desired set of properties.The present review discusses advances and inferences from simulations and models spanning multiple length and time scales explaining a comprehensive set of structure-properties relations.Addi-tionally,the role of machine learning approaches is also reviewed,underscoring the transformative role of computational modelling in unravelling the multifaceted properties and applications of HEAs,and the scope for future efforts in this direction.
基金the support from the National Natural Science Foundation of China(22272004,62272041)the Fundamental Research Funds for the Central Universities(YWF-22-L-1256)+1 种基金the National Key R&D Program of China(2023YFC3402600)the Beijing Institute of Technology Research Fund Program for Young Scholars(No.1870011182126)。
文摘The proliferation of wearable biodevices has boosted the development of soft,innovative,and multifunctional materials for human health monitoring.The integration of wearable sensors with intelligent systems is an overwhelming tendency,providing powerful tools for remote health monitoring and personal health management.Among many candidates,two-dimensional(2D)materials stand out due to several exotic mechanical,electrical,optical,and chemical properties that can be efficiently integrated into atomic-thin films.While previous reviews on 2D materials for biodevices primarily focus on conventional configurations and materials like graphene,the rapid development of new 2D materials with exotic properties has opened up novel applications,particularly in smart interaction and integrated functionalities.This review aims to consolidate recent progress,highlight the unique advantages of 2D materials,and guide future research by discussing existing challenges and opportunities in applying 2D materials for smart wearable biodevices.We begin with an in-depth analysis of the advantages,sensing mechanisms,and potential applications of 2D materials in wearable biodevice fabrication.Following this,we systematically discuss state-of-the-art biodevices based on 2D materials for monitoring various physiological signals within the human body.Special attention is given to showcasing the integration of multi-functionality in 2D smart devices,mainly including self-power supply,integrated diagnosis/treatment,and human–machine interaction.Finally,the review concludes with a concise summary of existing challenges and prospective solutions concerning the utilization of2D materials for advanced biodevices.
文摘Geomagnetic observatory data are crucial for all branches of geophysics because they can contribute to earthquake research by detecting anomalies in the Earth’s magnetic field.Recently,data records from the Misallat(MLT)and Abu Simbel(ABS)Egyptian geomagnetic observatories were processed and found to be of good quality.In this study,Egyptian observatory data were tested during both quiet and disturbed events and compared with data from INTERMAGNET observatories worldwide at different latitudes and within a narrow range of longitudes in both hemispheres.This study investigated the relationships between magnetic field components from Egyptian observatories and those from INTERMAGNET observatories using graphical representations of the X components;Pearson’s correlation for the X,Y,Z,and F components;cross-correlation for the X component;and wavelet coherence for the F component.The results of this study showed a high correlation between Egyptian observatories and all utilized INTERMAGNET stations,except those located at high latitudes,during both quiet and disturbed events.Additionally,the study confirmed the observed consistency between Egyptian observatories and selected INTERMAGNET stations.Therefore,Egyptian observatories can feasibly fill the gap in the Middle East and North Africa.
文摘BACKGROUND Resilience is an individual’s ability and psychological rebound capacity to adapt well after experiencing adversity,trauma,etc.Patients with strong resilience can face illnesses actively.AIM To determine the association of resilience with coping styles and quality of life in patients with malignancies.METHODS This study included patients with malignant tumors who were hospitalized at Fuyang Hospital Affiliated to Anhui Medical University from March 2022 to March 2024.The Connor-Davidson Resilience Scale,Medical Coping Modes Questionnaire,Social Support Rating Scale,and the European Organisation for Research and Treatment of Cancer Quality of Life Questionnaire Core 30 were utilized to assess patients’resilience,coping styles,social support,and quality of life,respectively.Pearson correlation analysis was conducted to assess the correlations.RESULTS A total of 175 patients with malignant tumors demonstrated no marked difference in terms of age,education level,employment status,monthly household income,and disease staging(P<0.05).Further,patients with malignancies demonstrated scores of 17.49±1.20,17.27±1.46,and 11.19±1.29 points in terms of coping styles in confrontation,avoidance,and resignation dimensions,respectively.Subjective support,objective support,and support utilization scores in terms of social support were 10.67±1.80,11.26±2.08,and 9.24±1.14 points,respectively.The total resilience score and tenacity,self-improvement,and optimism dimension scores were positively correlatedwith the confrontation coping style score,whereas the total resilience score and tenacity and self-improvementscores were negatively associated with avoidance and resignation coping style scores(P<0.05).The total resiliencescore and the tenacity dimension score were positively associated with physical,role,cognitive,emotional,andsocial functions,as well as global health status(P<0.05),and were inversely related to fatigue,insomnia,andeconomic difficulties(P<0.05).CONCLUSIONThe resilience of patients with malignancies is positively associated with the confrontation dimension in the copingstyle,the total and various social support domain scores,and the overall quality of life.Clinical medical staff needto pay attention to the effect of medical coping styles and social support on the resilience level of patients withmalignancies to further improve their quality of life.
基金supported in part by the National Natural Science Foundation of China (No. U23B2011)。
文摘Video snapshot compressive imaging(Video SCI) modulates scenes using various encoding masks and captures compressed measurements with a low-speed camera during a single exposure. Subsequently, reconstruction algorithms restore image sequences of dynamic scenes, offering advantages such as reduced bandwidth and storage space requirements. The temporal correlation in video data is crucial for Video SCI, as it leverages the temporal relationships among frames to enhance the efficiency and quality of reconstruction algorithms, particularly for fast-moving objects.This paper discretizes video frames to create image datasets with the same data volume but differing temporal correlations. We utilized the state-of-the-art(SOTA) reconstruction framework, EfficientSCI++, to train various compressed reconstruction models with these differing temporal correlations. Evaluating the reconstruction results from these models, our simulation experiments confirm that a reduction in temporal correlation leads to decreased reconstruction accuracy. Additionally, we simulated the reconstruction outcomes of datasets devoid of temporal correlation, illustrating that models trained on non-temporal data affect the temporal feature extraction capabilities of transformers, resulting in negligible impacts on the evaluation of reconstruction results for non-temporal correlation test datasets.
基金funded by the South Oil Exploration and Development Company of PetroChina(2021-HNYJ-010).
文摘The Fushan Depression is one of the petroliferous depressions in the Beibuwan Basin,South China Sea.Previous studies have preliminarily explored the origin and source of crude oils in some areas of this depression.Nevertheless,no systematic investigations on the classification and origin of oils and hy-drocarbon migration processes have been made for the entire petroleum system in this depression,which has significantly hindered the hydrocarbon exploration in the region.A total of 32 mudstone and 58 oil samples from the Fushan Depression were analyzed to definite the detailed oil-source correlation within the sequence and sedimentary framework.The organic matter of third member of Paleogene Liushagang Formation(Els(3))source rocks,both deltaic and lacustrine mudstone,are algal-dominated with high abundance of C_(23)tricyclic terpane and C_(30)4-methylsteranes.The deltaic source rocks occur-ring in the first member(Els_(1))and second member(Els_(2))of the Paleogene Liushagang Formation are characterized by high abundance of C_(19+20)tricyclic terpane and oleanane,reflecting a more terrestrial plants contribution.While lacustrine source rocks of Els_(1)and Els_(2)display the reduced input of terrige-nous organic matter with relatively low abundance of C 19+20 tricyclic terpane and oleanane.Three types of oils were identified by their biomarker compositions in this study.Most of the oils discovered in the Huachang and Bailian Els_(1)reservoir belong to group A and were derived from lacustrine source rocks of Els_(1)and Els_(2).Group B oils are found within the Els_(1)and Els_(2)reservoirs,showing a close relation to the deltaic source rocks of Els_(1)and Els_(2),respectively.Group C oils,occurring in the Els3 reservoirs,have a good affinity with the Els3 source rocks.The spatial distribution and accumulation of different groups of oils are mainly controlled by the sedimentary facies and specific structural conditions.The Els_(2)reservoir in the Yong'an area belonging to Group B oil,are adjacent to the source kitchen and could be considered as the favorable exploration area in the future.
基金supported by the Beijing Natural Science Foundation(5252014)the National Natural Science Foundation of China(62303063)。
文摘Passive acoustic monitoring(PAM)technology is increasingly becoming one of the mainstream methods for bird monitoring.However,detecting bird audio within complex natural acoustic environments using PAM devices remains a significant challenge.To enhance the accuracy(ACC)of bird audio detection(BAD)and reduce both false negatives and false positives,this study proposes a BAD method based on a Dual-Feature Enhancement Fusion Model(DFEFM).This method incorporates per-channel energy normalization(PCEN)to suppress noise in the input audio and utilizes mel-frequency cepstral coefficients(MFCC)and frequency correlation matrices(FCM)as input features.It achieves deep feature-level fusion of MFCC and FCM on the channel dimension through two independent multi-layer convolutional network branches,and further integrates Spatial and Channel Synergistic Attention(SCSA)and Multi-Head Attention(MHA)modules to enhance the fusion effect of the aforementioned two deep features.Experimental results on the DCASE2018 BAD dataset show that our proposed method achieved an ACC of 91.4%and an AUC value of 0.963,with false negative and false positive rates of 11.36%and 7.40%,respectively,surpassing existing methods.The method also demonstrated detection ACC above 92%and AUC values above 0.987 on datasets from three sites of different natural scenes in Beijing.Testing on the NVIDIA Jetson Nano indicated that the method achieved an ACC of 89.48%when processing an average of 10 s of audio,with a response time of only 0.557 s,showing excellent processing efficiency.This study provides an effective method for filtering non-bird vocalization audio in bird vocalization monitoring devices,which helps to save edge storage and information transmission costs,and has significant application value for wild bird monitoring and ecological research.
