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Study on the secondary structure and hydration effect of human serum albumin under acidic pH and ethanol perturbation with ir/Nir spectroscopy

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Journal of Innovative Optical Health Sciences 2023年第4期16卷 90-104页

作者： Hui Zhang Mengying Liang Shuangshuang Li Mengyin Tian Xiaoying Wei Bing Zhao Haowei Wang Qin Dong Hengchang Zang NMPA Key Laboratory for Technology Research and Evaluation of Drug Products School of Pharmaceutical Sciences Cheeloo College of Medicine Shandong University Wenhuaxi Road 44 JinanShandong 250012P.R.China National Glycoengineering Research Center Shandong University JinanShandong 250012P.R.China

Human serum albumin(HSA)is the most abundant protein in plasma and plays an essential physiological role in the human *** precipitation is the most widely used way to obtain HSA,and pH and ethanol are crucial factors affecting the *** this study,infrared(ir)spectroscopy and near-infrared(Nir)spectroscopy in combination with chemometrics were used to investigate the changes in the secondary structure and hydration of HSA at acidic pH(5.6-3.2)and isoelectric pH when ethanol concentration was varied from 0%to 40%as a *** spectroscopy combined with the two-dimensional correlation spectroscopy(2DCOS)analysis for acid pH system proved that the secondary structure of HSA changed significantly when pH was around ***'s more,the ir spectroscopy and 2DCOS analysis showed different secondary structure forms under different ethanol concentrations at the isoelectric *** the hydration effect analysis,Nir spectroscopy combined with the McCabe-Fisher method and aquaphotomics showed that the free hydrogen-bonded water fluctuates dynamically,with ethanol at 0-20%enhancing the hydrogen-bonded water clusters,while weak hydrogen-bonded water clusters were formed when the ethanol concentration increased continuously from 20%to 30%.These measurements provide new insights into the structural changes and changes in the hydration behavior of HSA,revealing the dynamic process of protein purification,and providing a theoretical basis for the selection of HSA alcoholic precipitation process parameters,as well as for further studies of complex biological systems.

关键词： Human serum albumin hydration formation secondary structure ir spectroscopy Nir spectroscopy

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High Sensitivity Gas Sensor Based on ir spectroscopy Technology and Application

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Photonic Sensors 2016年第2期6卷 127-131页

作者： Hengyi LI Department of Electronic Information Engineering Jincheng College of Sichuan University 611731 Chengdu China

Due to extremely effective advantages of the quantum cascade laser spectroscopy and technology for trace gas detection, this paper presents spectroscopy scanning, the characteristics of temperature tuning, system resolution, sensitivity, and system stability with the application of the presented gas sensor. Experimental results showed that the sensor resolution was 〈0.01cm-1 （equivalent to 0.06nm）, and the sensor sensitivity was at the level of 194 ppb with the application of HzCO measurement.

关键词： Quantum cascade laser ir spectroscopy high sensitivity formaldehyde

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Quantitative Assessment of Amino Acid Damage upon keV Ion Beam irradiation Through FTir spectroscopy

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Plasma Science and Technology 2010年第3期12卷 378-384页

作者：黄青柯志刚苏玺袁航张束清余增亮 Key Laboratory of Ion Beam Bio-engineering Institute of Plasma Physics of Chinese Academy of Sciences

Ion beam irradiation induces important biological effects and it is a long-standing task to acquire both qualitative and quantitative assessment of these effects. One effective way in the investigation is to utilize Fourier transformation infrared （FTir） spectroscopy because it can offer sensitive and non-invasive measurements. In this paper a novel protocol was employed to prepare biomolecular samples in the form of thin and transversely uniform solid films that were suitable for both infrared and low-energy ion beam irradiation experiments. Under the irradiation of N^＋ and Ar^＋ ion beams of 25 keV with fluence ranging from 5×10^15 ions/cm^2 to 2.5×10^16 ions/cm^2, the ion radio-sensitivity of four amino acids, namely, glycine, tyrosine, methionine and phenylalanine, were evaluated and compared. The ion beam irradiation caused biomolecular decomposition accompanied by molecular desorption of volatile species and the damage was dependent on ion type, fiuence, energy and types of amino acids. The effectiveness of application of FTir spectroscopy to the quantitative assessment of biomolecular damage dose effect induced by low-energy ion radiation was thus demonstrated.

关键词： ion beam irradiation amino acids ir spectroscopy

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Vibrational spectroscopy of the mass-selected tetrahydrofurfuryl alcohol monomers and its dimers in gas phase using ir depletion and VUV single photon ionization

Vibrational spectroscopy of the mass-selected tetrahydrofurf...

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第十五届全国化学动力学会议

作者：宋文韬 Yujian Li Yongjun Hu MOE Key Laboratory of Laser Life Science & Institute of Laser Life Science College of BiophotonicsSouth China Normal University

Tetrahydrofurfuryl alcohol(THFA,CHO) is a close chemical analog of the sugar rings present in the phosphate-deoxyribose backbone structure of the nucleic *** present report,the infrared(ir) spectra of the size-selected THFA monomer and its dimer have been investigated in a pulsed supersonic jet using infrared-vacuumultraviolet(VUV) ***,the laser light at 118 nmwavelength served as the source of "soft" ionization in a time-of-flight mass *** ir features for the monomers located at 3622 cm can be assigned to the intramolecular hydrogen bonding stretch vibrations mainly referring to A and C *** with the monomer,however,characteristic peaks for the dimer centered at 3415 and 3453 cm,red shifted 207 and 169 cm,respectively,were associated with the intermolecular hydrogen bonding stretch *** with the quantum-chemical calculations,the dimer in the gas phase preferred cyclic AC conformer stabled by forming two strong intermolecular hydrogen bonds,which shown the high hydrogen bond selectivity in the *** conclusions drawn from the role played in the conformational flexibility by the hydroxyl and ether groups may be extended to other biomolecules.

关键词： Tetrahydrofurfuryl alcohol Tetrahydrofurfuryl alcohol’s dimer Gas-phase ir spectroscopy Hydrogen bonding

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Mass-selected ir-VUV （118 nm） spectroscopy and its applications on the detection of jet cooled species

Mass-selected IR-VUV （118 nm） spectroscopy and its applica...

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第十三届全国化学动力学会议

作者： Yongjun Hu MOE Key Laboratory of Laser Life Science ＆ Institute of Laser Life Science College of Biophotonics South China Normal University

＜正＞Mass-selected ir plus UV/VUV spectroscopy coupled with mass spectroscopy has been married to be a powerful technique to investigate chemical, physical, structural, and electronic properties of radicals, molecules and clusters. Advantages of the use of vacuum ultraviolet （VUV） radiation are its application to all compounds with ionization potentials below the energy of single VUV photon, its circumventing the

关键词： Clusters VUV Photoionziation ir spectroscopy TOF-MS

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SYNTHESIS AND CHARACTERIZATION OF GRAFT COPOLYMER(ALGINATE-g-POLY(N,N-DIMETHYLACRYLAMIDE))

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Chinese Journal of Polymer Science 2010年第5期28卷 673-683页

作者： Mithilesh Yadav Arpit Sand Kunj Behari Polymer Science Research Laboratory Department of ChemistryUniversity of AllahabadAllahabadIndia

The graft copolymerization of N,N-dimethylacrylamide onto alginate by free radical polymerization using potassium peroxymonosulphate-sarbose as a redox pair in an inert atmosphere was investigated. The reaction conditions for maximum grafting have been optimized by varying the reaction variables, including the concentration of N,N-dimethylacrylamide （7 × 10-2 mol/L to 23 × 10-2 mol/L）, potassium peroxymonosulphate （2 × 10-3 mol/L to 18 × 10-3 mol/L）, sarbose （0.4 × 10-3 mol/L to 3.4 × 10-3 mol/L）, sulphuric acid （1 × 10-3 mol/L to 8 × 10-3 mol/L） and alginic acid （0.4 g/L to 1.8 g/L） along with time duration （60 min to 180 min） and temperature （25℃ to 45℃）. Water swelling capacity, metal ion sorption and flocculation studies of the synthesized graft copolymer have been performed. The graft copolymer has been characterized by FTir spectroscopy and thermogravimetric analysis.

关键词： Graft copolymer Potassium peroxymonosulphate Sarbose ir spectroscopy Thermal analysis.

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Metathesis synthesis, characterization, spectral and photoactivity studies of Ln_(2/3)MoO_4(Ln=La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Er and Y)

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Journal of Rare Earths 2015年第8期33卷 837-845页

作者： Radha Velchuri Suresh Palla G.Ravi Naveen Kumar Veldurthi J.R.Reddy M.Vithal Department of Chemistry Osmania University

Rare earth ortho-oxomolybdates of composition Ln2/aMoO4 （Ln=La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Er and Y） were prepared by metathesis reaction. All these materials were characterized by powder X-ray diffraction, Fourier transform-infrared spectroscopy （FT-ir） and UV-Vis diffuse reflectance spectra. The Rietveld analysis of all the samples was carried out to obtain the unit cell parameters and reliability factors. All the materials were crystallized in tetragonal lattice with I41/a space group. The infrared spectra of all the samples were characterized by bands due to MoO42 units. The bandgap energies of all the samples were obtained from UV-Vis DRS spectra. The luminescence spectra of Ln2/3MoO4 （Ln=Pr, Eu and Dy） showed characteristic transitions of the rare earth ions. The visible light photocatalytic activity of all the samples was studied against degradation of methylene blue.

关键词： metathesis X-ray diffxaction ir spectroscopy UV-Vis spectroscopy photodegradation rare earths

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Infrared spectroscopy of Neutral and Cationic Pyrrolidine Monomer in Supersonic Jet

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Chinese Journal of Chemical Physics 2020年第1期33卷 43-47,I0005,I0006页

作者： Min Xie Zhao-li Zhang Yu Zhang Xiao-nan Sun Fu-fei Sun Yong-jun Hu MOE Key Laboratory of Laser Life Science&Guangdong Provincial Key Laboratory of Laser Life Science Guangzhou Key Laboratory of Spectral Analysis and Functional ProbesCollege of BiophotonicsSouth China Normal UniversityGuangzhou 510631China

Pyrrolidine,a five membered heterocyclic molecule,is widely existing in ***,infrared spectra of pyrrolidine monomer in neutral and cationic states were obtained by vacuum ultraviolet ionization,infrared photodissociation and time of flight mass *** in neutral and cationic states,it is found that their CH stretching vibration bands are red *** the ir spectrum of neutral pyrrolidine,because the electric dipole moment of NH is small,we have not observed the NH stretching vibration ***,the NH stretching vibration band of pyrrolidine is greatly enhanced after ionization,and this band red-shifts compared with the previous *** red shifts of CH stretching vibrations in neutral and cationic states are caused by the negative and positive hyperconjugation,*** enhancement and red shift of the NH stretching band are owing to the ejection of the electrons on the N atom after *** the calculations,it is found that the acidity of the CH bond is a little stronger than that of NH *** kinds of studies would be helpful to understand the intrinsic properties of biomolecules in neutral and cationic states,and to provide reference for the further study of living organic macromolecules.

关键词： ir spectroscopy Hyperconjugation Cationic state CH bond acidity Gas phase

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Distribution of aluminum species and the characteristics of structure of poly-aluminum-chloride-sulfate(PACS)

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Journal of Environmental Sciences 2001年第1期13卷 108-114页

作者： GAO Bao\|yu, YUE Qin\|yan, YU Hui, WANG Yan (Department of Environmental Engineering, Shandong University, Jinan\ 250100, China. E\|mail:bygao@***) Department of Environmental Engineering Shandong University Jinan 250100 China. bygao@***

A series of poly-aluminum-chloride-sulfate (PACS), which has different basicities (gamma) and Al3+/SO42- molar ratio, has been prepared and dried at 105degreesC and 65degreesC, respectively. The distribution of aluminum species of PACS was examined, and the effect of 7 value, Al3+/SO42- molar ratio, dilution on the distribution of aluminum species of PACS was also investigated by using Al-ferron timed complex colorimetric method. The ir spectroscopy and X-ray diffraction were used to study the effect of gamma value, Al3+ / SO42- molar ratio and the drying temperature on the structure of PACS. The experimental results show that Al3+/SO42- molar ratio has a great effect on the distribution of aluminum species, but the dilution has a little effect on the distribution of aluminum species. The lower the Al3+/SO42- molar ratio, the higher the proportions of the polymer and colloidal species in PACS, The polymeric degree of PACS was related to gamma value and Al3+/SO(4)(2-)molar ratio. Drying temperature has an influence on the structure and the solubility of solid PACS products.

关键词： flocculant PACS species structure Al-ferron timed complex colorimetric method ir spectroscopy X-ray diffraction

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ENVirONMENTAL STABILITY OF THE POLYENE PREPARED BY DEHYDROCHLORINATION OF POLY(VINYL CHLORIDE)

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Chinese Journal of Polymer Science 2003年第1期21卷 71-75页

作者：石高全 Department of Chemistry Tsinghua University Beijing 100084China

A high-quality polyene can be obtained by exensive dehydrochlorination of poly(vinyl chloride) (PVC) in aliquid/solid two-phase system. The liquid phase is a tetrahydrofuran solution of PVC containing a small amount ofpoly(ethylene glycol) with molar mass of 400 g as a phase transfer catalys. The solid phase is potassium hydroxide *** structure of the polyene is polyacetylene-like and has a long conjugated C=C sequence and a narrow dispersity ofpolyene sequences according to its FT-infrared and Raman spectra. The environmental stability of the polyene was alsostudied by ir, Raman spectra and elemental analysis. Experimental results demonstrated that the polyene was susceptible toair and could be changed into a material containing high concentrations of hydroxyl and carbonyl groups. The polyenesequences were shortened and its dispersity became broader due to the effect of dioxygen.

关键词： PVC Two-phase dehydrochlorination Stability ir spectroscopy Raman spectroscopy

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