There are two infrared beamlines at the Shanghai synchrotron radiation facility(SSRF)-BL01B and BL06B.BL01B was the first infrared beamline of the National Facility for Protein Science in Shanghai at SSRF,which is ded...There are two infrared beamlines at the Shanghai synchrotron radiation facility(SSRF)-BL01B and BL06B.BL01B was the first infrared beamline of the National Facility for Protein Science in Shanghai at SSRF,which is dedicated to synchrotron infrared microspectroscopy.It utilizes bending magnet radiation and edge radiation as light sources.Diffraction-limited spatial resolution is reached in the infrared microspectroscopy experiment.BL01B has been in operation for approximately five years since it opened in January 2015.In the past few years,many meaningful results have been published by user groups from various disciplines,such as biomacromolecule materials and pharmaceutical,environmental,and biomedical sciences.In addition,a new infrared beamline station BL06B is under construction,which is optimized for the mid-infrared and far-infrared band.BL06B is equipped with a vacuum-type Fourier transform infrared spectrometer,infrared microscope,custom longworking-distance infrared microscope,infrared scanning near-field optical microscope,and mid-infrared Mueller ellipsometer.The purpose is to serve experiments with high vacuum requirements and spatial resolution experiments,as well as those that are in situ and time-sensitive,such as high-pressure and atomic force microscopy infrared experiments.The station can be used for research in biomaterials,pharmacy,geophysics,nanotechnology,and semiconductor materials.展开更多
The dynamics beamline(D-Line),which combines synchrotron radiation infrared spectroscopy(SR-IR)and energy-disper-sive X-ray absorption spectroscopy(ED-XAS),is the first beamline in the world to realize concurrent ED-X...The dynamics beamline(D-Line),which combines synchrotron radiation infrared spectroscopy(SR-IR)and energy-disper-sive X-ray absorption spectroscopy(ED-XAS),is the first beamline in the world to realize concurrent ED-XAS and SR-IR measurements at the same sample position on a millisecond time-resolved scale.This combined technique is effective for investigating rapid structural changes in atoms,electrons,and molecules in complicated disorder systems,such as those used in physics,chemistry,materials science,and extreme conditions.Moreover,ED-XAS and SR-IR can be used independently in the two branches of the D-Line.The ED-XAS branch is the first ED-XAS beamline in China,which uses a tapered undulator light source and can achieve approximately 2.5×10^(12)photons/s·300 eV BW@7.2 keV at the sample position.An exchange-able polychromator operating in the Bragg-reflection or Laue-transmission configuration is used in different energy ranges to satisfy the requirements for beam size and energy resolution.The focused beam size is approximately 3.5μm(H)×21.5μm(V),and the X-ray energy range is 5–25 keV.Using one-and two-dimensional position-sensitive detectors with frame rates of up to 400 kHz enables time resolutions of tens of microseconds to be realized.Several distinctive techniques,such as the concurrent measurement of in situ ED-XAS and infrared spectroscopy,time-resolved ED-XAS,high-pressure ED-XAS,XMCD,and pump-probe ED-XAS,can be applied to achieve different scientific goals.展开更多
The visualization and data mining of tumor multidimensional information may play a major role in the analysis of the growth,metastasis,and microenvironmental changes of tumors while challenging traditional imaging and...The visualization and data mining of tumor multidimensional information may play a major role in the analysis of the growth,metastasis,and microenvironmental changes of tumors while challenging traditional imaging and data processing techniques.In this study,a general trans-scale and multi-modality measurement method was developed for the quantitative diagnosis of hepatocellular carcinoma(HCC)using a combination of propagation-based phase-contrast computed tomography(PPCT),scanning transmission soft X-ray microscopy(STXM),and Fourier transform infrared micro-spectroscopy(FTIR).Our experimental results reveal the trans-scale micro-morpho-logical HCC pathology and facilitate quantitative data analysis and comprehensive assessment.These results include some visualization features of PPCT-based tissue microenvironments,STXM-based cellular fine structures,and FTIR-based bio-macromolecular spectral characteris-tics during HCC tumor differentiation and proliferation.The proposed method provides multidimensional feature data support for constructing a high-accuracy machine learning algorithm based on a gray-level histogram,gray-gradient co-occurrence matrix,gray-level co-occurrence matrix,and back-propagation neural network model.Multi-dimensional information analysis and diagnosis revealed the morphological pathways of HCC pathological evolution and we explored the relationships between HCC-related feature changes in inflammatory microenviron-ments,cellular metabolism,and the stretching vibration peaks of biomolecules of lipids,proteins,and nucleic acids.Therefore,the proposed methodology has strong potential for the visualization of complex tumors and assessing the risks of tumor differentiation and metastasis.展开更多
The usage of flexible ligands in constructing MOF materials(FL-MOFs)has been widely studied due to its numerous advantages,including the structural diversity,polynuclear MOFs,transmitting magnetic exchanges,enantiosel...The usage of flexible ligands in constructing MOF materials(FL-MOFs)has been widely studied due to its numerous advantages,including the structural diversity,polynuclear MOFs,transmitting magnetic exchanges,enantioselective separation,asymmetric catalysis,etc.However,the field still faces challenges in deeply understanding the effect of ligand configuration on the properties of these materials.Here,we employ a flexible aggregation-induced emission ligand(4,4-((1E,1 E)-anthracene-9,10-diylbis(ethene-2,1-diyl))dibenzoic acid)with great mechanical stability to construct FL-MOFs to lock the ligand configuration to explore the pressure-induced evolution of the ligand with coordination restriction,involving changes in fluorescence and intermolecular interaction.In-situ high-pressure fluorescence,Raman,and FT-IR experiments have revealed that the intermolecular interaction of AIE-Mn-MOF with configuration restriction increased more rapidly than that of free AIE-L.This discovery offers valuable insights for synthesizing MOF materials with exceptional mechanical stability and significantly advances our understanding of the impact of coordination restriction in FL-MOFs on their response to external stimuli.展开更多
The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By...The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By 2021, it became accessible to users. The synchrotron radiation infrared(SRIR) source included edge radiation(ER) and bending magnet radiation(BMR). The extracted angles in the horizontal and vertical directions were 40 and 20 mrad, respectively. The photon flux, spectral resolution, and focused spot size were measured at the BL06B endstation, and the experimental results were consistent with theoretical calculations. SRIR light has a small divergence angle, high brightness, and a wide wavelength range. As a source of IR microscopy, it can easily focus on a diffraction-limited spatial resolution with a high signal-to-noise ratio(SNR). The BL06B endstation can be applied in a wide range of research fields, including materials, chemistry, biology, geophysics, and pharmacology.展开更多
Neurotransmitters are essential in regulating the functions of the nervous,cardiovascular,endocrine,and various other tissue systems.Neurodegenerative diseases such as Parkinson’s disease,depression,and Alzheimer’s ...Neurotransmitters are essential in regulating the functions of the nervous,cardiovascular,endocrine,and various other tissue systems.Neurodegenerative diseases such as Parkinson’s disease,depression,and Alzheimer’s disease involve the loss of catecholamine neurons.One of the main challenges is the accumulation of catecholamine(CA)metabolites.Reducing the metabolic aggregation toxicity of the transmitter molecules remains an open question.In this work,we proposed a novel physical method,terahertz-triggered dedocking,to unbind ligand molecules that accumulate around receptor proteins,potentially alleviating neurodegenerative diseases.We found that electromagnetic stimulation at 44.5 THz successfully dissociates the DA ligand from the binding sites at the receptor by breaking weak hydrogen bonds.Using molecular docking,we identified multiple binding sites for CA neurotransmitter molecules within the dopamine receptor D2(DRD2).We also characterized the terahertz fingerprints and theoretical spectra of CAs across the 0.5 to 50 THz range,revealing their microscopic vibrational modes at characteristic peak positions and elucidating how specific vibrations influence molecular conformational changes.This finding highlights the potential of terahertz radiation in regulating the nervous system and provides new theoretical support for neural drug discovery and the intervention of neurological disorders.展开更多
基金supported by the National Natural Science Foundation of China(Nos.U1732130,U1632273,11505267,and 11605281)
文摘There are two infrared beamlines at the Shanghai synchrotron radiation facility(SSRF)-BL01B and BL06B.BL01B was the first infrared beamline of the National Facility for Protein Science in Shanghai at SSRF,which is dedicated to synchrotron infrared microspectroscopy.It utilizes bending magnet radiation and edge radiation as light sources.Diffraction-limited spatial resolution is reached in the infrared microspectroscopy experiment.BL01B has been in operation for approximately five years since it opened in January 2015.In the past few years,many meaningful results have been published by user groups from various disciplines,such as biomacromolecule materials and pharmaceutical,environmental,and biomedical sciences.In addition,a new infrared beamline station BL06B is under construction,which is optimized for the mid-infrared and far-infrared band.BL06B is equipped with a vacuum-type Fourier transform infrared spectrometer,infrared microscope,custom longworking-distance infrared microscope,infrared scanning near-field optical microscope,and mid-infrared Mueller ellipsometer.The purpose is to serve experiments with high vacuum requirements and spatial resolution experiments,as well as those that are in situ and time-sensitive,such as high-pressure and atomic force microscopy infrared experiments.The station can be used for research in biomaterials,pharmacy,geophysics,nanotechnology,and semiconductor materials.
基金supported by the SSRF Phase-II Beamline Project.
文摘The dynamics beamline(D-Line),which combines synchrotron radiation infrared spectroscopy(SR-IR)and energy-disper-sive X-ray absorption spectroscopy(ED-XAS),is the first beamline in the world to realize concurrent ED-XAS and SR-IR measurements at the same sample position on a millisecond time-resolved scale.This combined technique is effective for investigating rapid structural changes in atoms,electrons,and molecules in complicated disorder systems,such as those used in physics,chemistry,materials science,and extreme conditions.Moreover,ED-XAS and SR-IR can be used independently in the two branches of the D-Line.The ED-XAS branch is the first ED-XAS beamline in China,which uses a tapered undulator light source and can achieve approximately 2.5×10^(12)photons/s·300 eV BW@7.2 keV at the sample position.An exchange-able polychromator operating in the Bragg-reflection or Laue-transmission configuration is used in different energy ranges to satisfy the requirements for beam size and energy resolution.The focused beam size is approximately 3.5μm(H)×21.5μm(V),and the X-ray energy range is 5–25 keV.Using one-and two-dimensional position-sensitive detectors with frame rates of up to 400 kHz enables time resolutions of tens of microseconds to be realized.Several distinctive techniques,such as the concurrent measurement of in situ ED-XAS and infrared spectroscopy,time-resolved ED-XAS,high-pressure ED-XAS,XMCD,and pump-probe ED-XAS,can be applied to achieve different scientific goals.
基金supported by the Natural Science Foundation of Shandong Province,China(No.ZR2020MA088)Natural Science Foundation of Xinjiang Uygur Autonomous Region,China(No.2019D01C188)+1 种基金National Key Research and Development Program of China(No.2018YFC1200204)National Natural Science Foundation of China(No.12175127).
文摘The visualization and data mining of tumor multidimensional information may play a major role in the analysis of the growth,metastasis,and microenvironmental changes of tumors while challenging traditional imaging and data processing techniques.In this study,a general trans-scale and multi-modality measurement method was developed for the quantitative diagnosis of hepatocellular carcinoma(HCC)using a combination of propagation-based phase-contrast computed tomography(PPCT),scanning transmission soft X-ray microscopy(STXM),and Fourier transform infrared micro-spectroscopy(FTIR).Our experimental results reveal the trans-scale micro-morpho-logical HCC pathology and facilitate quantitative data analysis and comprehensive assessment.These results include some visualization features of PPCT-based tissue microenvironments,STXM-based cellular fine structures,and FTIR-based bio-macromolecular spectral characteris-tics during HCC tumor differentiation and proliferation.The proposed method provides multidimensional feature data support for constructing a high-accuracy machine learning algorithm based on a gray-level histogram,gray-gradient co-occurrence matrix,gray-level co-occurrence matrix,and back-propagation neural network model.Multi-dimensional information analysis and diagnosis revealed the morphological pathways of HCC pathological evolution and we explored the relationships between HCC-related feature changes in inflammatory microenviron-ments,cellular metabolism,and the stretching vibration peaks of biomolecules of lipids,proteins,and nucleic acids.Therefore,the proposed methodology has strong potential for the visualization of complex tumors and assessing the risks of tumor differentiation and metastasis.
基金supported by NSAF(No.U1530402)Postgraduate Research&Practice Innovation of Jiangsu Province(No.KYCX22_1548)+1 种基金financially supported by the National Natural Science Foundation of China(Nos.22277056,21977052)the Distinguished Young Scholars of Jiangsu Province(No.BK20230006)。
文摘The usage of flexible ligands in constructing MOF materials(FL-MOFs)has been widely studied due to its numerous advantages,including the structural diversity,polynuclear MOFs,transmitting magnetic exchanges,enantioselective separation,asymmetric catalysis,etc.However,the field still faces challenges in deeply understanding the effect of ligand configuration on the properties of these materials.Here,we employ a flexible aggregation-induced emission ligand(4,4-((1E,1 E)-anthracene-9,10-diylbis(ethene-2,1-diyl))dibenzoic acid)with great mechanical stability to construct FL-MOFs to lock the ligand configuration to explore the pressure-induced evolution of the ligand with coordination restriction,involving changes in fluorescence and intermolecular interaction.In-situ high-pressure fluorescence,Raman,and FT-IR experiments have revealed that the intermolecular interaction of AIE-Mn-MOF with configuration restriction increased more rapidly than that of free AIE-L.This discovery offers valuable insights for synthesizing MOF materials with exceptional mechanical stability and significantly advances our understanding of the impact of coordination restriction in FL-MOFs on their response to external stimuli.
基金This work was supported by the National Natural Science Foundation of China(Nos.12204499 and 62075225)Joint Key Projects of National Natural Science Foundation of China(No.U2032206)+1 种基金CAS Project for Young Scientists in Basic Research(No.YSBR-042)Open Project of State Key Laboratory of Surface Physics at Fudan University(No.KF2022_05).
文摘The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By 2021, it became accessible to users. The synchrotron radiation infrared(SRIR) source included edge radiation(ER) and bending magnet radiation(BMR). The extracted angles in the horizontal and vertical directions were 40 and 20 mrad, respectively. The photon flux, spectral resolution, and focused spot size were measured at the BL06B endstation, and the experimental results were consistent with theoretical calculations. SRIR light has a small divergence angle, high brightness, and a wide wavelength range. As a source of IR microscopy, it can easily focus on a diffraction-limited spatial resolution with a high signal-to-noise ratio(SNR). The BL06B endstation can be applied in a wide range of research fields, including materials, chemistry, biology, geophysics, and pharmacology.
基金supported by the National Natural Science Foundation of China(62075225,12374214,12204499)the CAS Project for Young Scientists in Basic Research(YSBR-042)sponsored by Shanghai Rising-Star Program(23QA1404200).
文摘Neurotransmitters are essential in regulating the functions of the nervous,cardiovascular,endocrine,and various other tissue systems.Neurodegenerative diseases such as Parkinson’s disease,depression,and Alzheimer’s disease involve the loss of catecholamine neurons.One of the main challenges is the accumulation of catecholamine(CA)metabolites.Reducing the metabolic aggregation toxicity of the transmitter molecules remains an open question.In this work,we proposed a novel physical method,terahertz-triggered dedocking,to unbind ligand molecules that accumulate around receptor proteins,potentially alleviating neurodegenerative diseases.We found that electromagnetic stimulation at 44.5 THz successfully dissociates the DA ligand from the binding sites at the receptor by breaking weak hydrogen bonds.Using molecular docking,we identified multiple binding sites for CA neurotransmitter molecules within the dopamine receptor D2(DRD2).We also characterized the terahertz fingerprints and theoretical spectra of CAs across the 0.5 to 50 THz range,revealing their microscopic vibrational modes at characteristic peak positions and elucidating how specific vibrations influence molecular conformational changes.This finding highlights the potential of terahertz radiation in regulating the nervous system and provides new theoretical support for neural drug discovery and the intervention of neurological disorders.
