Study on the interaction between baicalein and the amyloid β peptide by molecular spectroscopy

The amyloid β peptide (Aβ) is the major protein constituent of neuritic plaques in Alzheimer's disease (AD).And Aβ(1-42) is the major component in amyloid plaque core deposits.     

Study on the interaction between diphenhydramine and erythrosin by absorption,fluorescence and resonance Rayleigh scattering spectra

In pH 4.5 Britton-Robinson(BR)buffer solution,erythrosin(ET)can react with diphenhydramine(DP)to form a 1:1 ion-association complex,which not only results in the change of the absorption spectra,but also results in the great enhancement of resonance Rayleigh scattering(RRS)and the quenching of fluorescence.Furthermore,a new RRS spectrum will appear,and the maximum RRS wavelength was located at about 580 nm.In this work,the spectral characteristics of the absorption,fluorescence and RRS,the optimum conditions of the reaction and the properties of an analytical chemistry were inves- tigated.A sensitive,simple and new method for the determination of DP by using erythrosin as a probe has been developed.The detection limits for DP were 0.0020μg/mL for RRS method,0.088μg/mL for absorption method and 0.094μg/mL for fluorophotometry.There was a linear relationship between the absorbance,RRS and fluorescence intensities and the drug concentration in the range of 0.0067-2.0, 0.29-6.4 and 0.31-3.2μg/mL,respectively.The effects of the interaction of diphenhydramine and erythrosin on the absorption,fluorescence and resonance Rayleigh scattering spectra were discussed. In light polarization experiment,the polarization of RRS at maximum wavelength was measured to be P =0.9779,and it revealed that the RRS spectrum of DP-ET complex consists mostly of resonance scat- tering and few resonance fluorescence.In this study,enthalpy of formation and mean polarizability were calculated by AM1 quantum chemistry method.In addition,the reaction mechanism and the rea- sons for the enhancement of scattering spectra and the energy transfer between absorption,fluores- cence and RRS were discussed.     

In Situ crystallization of bacterial cellulose I. Influences of polymeric additives,stirring and temperature on the formation celluloses I α and I β as revealed by cross polarization/magic angle spinning (CP/MAS)13C NMR spectroscopy

To obtain further information about the formation of cellulose I and I, cross polarization/magic angle spinning (CP/MAS)¹³C NMR spectroscopy was used to study the effects of polymeric additives, stirring and culture temperature on the I When xyloglucan (XG) or carboxymethyl cellulose sodium salt (CMC) was added to the incubation medium, the amount of cellulose I decreased markedly, from a normal level of 64% to as low as 30%, with the most additive giving the lowest levels of I. Moreover, stirring causes mixtures containing even small amounts of XG to have a large effect. These results suggest that CMC or XG interferes with the aggregation of fibrillar units into the normal ribbon assemblies. It may be that there is a strain associated with this aggregation that results in the higher-energy I form. Thus, cellulose I may grow preferentially when the strain caused by aggregation is not present. Lower temperatures (36–10 °C) gave an increase in I (from 56 to 72%).     

CP/MAS ~(13)C NMR技术对木浆纤维微观结构的研究

利用交叉极化结合魔角旋转技术~(13)C核磁共振法(CP/MAS ~(13)C NMR)对桉木浆纤维的微观结构进行研究,为进一步研究木质纤维素材料开发过程中反应障碍特征奠定基础.通过对NMR光谱C1区(δ 102～108)进行洛仑兹拟合,得到桉木浆纤维中纤维素Iα的相对含量为26.92%,纤维素Iβ的相对含量为52.04%,主要以纤维素Iβ晶体形式为主.通过计算纤维素C4结晶区(δ 86～92)和非结晶区(δ 80～86)的相对含量得到桉木浆的纤维素结晶度为47%.通过洛仑兹和高斯函数的混合模型对NMR光谱C4区(δ 80～92)进行拟合得到基原纤尺寸和微原纤横向尺寸分别为4.0与17.9 nm,并通过计算不同形态的结晶纤维素的相对含量得到纤维素结晶度为51%,证实了在微原纤内部次晶纤维素的存在.     

Study on the interaction between clarithromycin and bovine serum albumin in the imitated physiology solution

The interaction between clarithromycin (CAM) and bovine serum albumin (BSA) was investigated using linear-sweep voltammetry in pH 7.4 phosphate buffer solution where CAM caused two irreversible reduction waves P2 and P3 on mercury electrode. The study showed that the formation constant and formation ratio for the interaction between CAM and BSA were 1.51×1012 and 3:1 for P2,4.53×105 and 1:1 for P3, respectively. The ion strength enhanced the hydrophobic interaction between CAM and BSA.     

Linear Relationship between 13C NMR Chemical Shifts and the Bending of sp-Carbon Chains

Polyynes show a strictly linear relationship between the energy impact and the bending of the polyyne chain. The energy, which is necessary to bend the acetylenic chain, decreases with the increasing number of acetylene units. A deviation from linearity in polyynes can be realized in solution by violation of the mutual-exclusion principle between IR and Raman spectra. However, there is still no possibility to measure the extent of the nonlinearity in solution. Herein, we show that the ¹³C NMR spectroscopy represents an appropriate tool for this as we found an almost perfect linear relationship between the bending of the alkyne chain and the change of the chemical shift of the outer acetylenic carbon atoms. By using molecular bows in which the alkyne chain can be bent by switching the azobenzene unit, this correlation can be proved experimentally. In the future, this correlation should enable the determination of the extent of the bending and the strain energy in polyynes. Consequently, polyynes could be employed as probes for measuring further molecular forces.     

Study of the copper(II)-Aztreonam™ system by potentiometry and spectrophotometry,and structural characterization by 13C NMR relaxation

Potentiometric and spectrophotometric results obtained for the Cu(II)-Aztreonam system give a clear indication of the cheating properties of this antibiotic toward the Cu²⁺ ion, coordinated already at pH ≌ 2. Only one single complex of 1:1 stoichiometry is formed. Measurements of ¹³C relaxation rates allow us to attribute a coordination scheme via the carboxylic and aminic groups.     

Study on the interaction between hepatitis B virus functional receptor NTCP and ligands by surface plasmon resonanceEI北大核心CSCD

Sodium/taurocholate cotransporting polypeptideNTCPSLC10A1mediates the entry of hepatitis B virusHBVinto hepatocytes. NTCP is the functional receptor for HBV infection and a potential target for anti-HBV drugs. At presentmethods that evaluate the interaction between NTCP and its ligands are still limited. In this paperthe recombinant NTCP was expressed by Sf9 cells and purifiedand fixed on the surface plasmon resonanceSPRsensor chip by indirect antibody coupling. According to SPR kinetic analysisthe equilibrium dissociation constant KD of HBV PreS1 polypeptide binding to NTCP is 4.93 μµmol/L. The equilibrium dissociation constant KD of classic substrate taurocholate sodium for NTCP is 25.3 μµmol/L. Rather than the inhibition capacity of compounds to block NTCP substrate transportationthe equilibrium dissociation constant measured by SPR method can compare the binding affinity of compounds to NTCPand can be used to develop anti-HBV drugs based on NTCP-PreS1 interaction. © 2022, Youke Publishing Co.,Ltd. All rights reserved.     

Unexpected structural/motional mode of water intercalated into an α-crystalline zirconium phosphate deduced by 31P and 2H solid-state MAS NMR spectra

In developing the approach to understanding dynamics of intercalates in layered materials, crystalline-layered zirconium phosphate Zr (HPO₄)₂·0.35D₂O has been prepared and characterized by the ¹H, ³¹P, and ²H solid-state MAS NMR spectra, including ³¹P and ²H T₁ measurements. At temperatures >253 K, the intercalated water shows two spectrally-distinguished deuterons unprecedentedly with different DQCC's and ²H T₁ times, one of which is hydrogen bonded. The collected data allowed to identify an unexpected bonding/dynamic mode of water molecules, which experience fast rotation around the hydrogen bond, formed with a zirconium-coordinated oxygen. The low-temperature ²H MAS NMR experiments have demonstrated the presence of additional hydrogen bond P (H)O˙˙˙ DO, population of which grows on cooling to 195 K corresponding to the doubly hydrogen-bonded immobile water molecule.     

Study on the Interaction between Distamycin Analogs and DNA from Herring Sperm by Fluorimetry

Distamycin is a naturally occurring antibiotic which binds to the AT rich regions in minor groove of DNA1. We have reported the interaction between the analogs and calf thymus DNA by circular dichroism spectropolarimetry (CD) and isothermal titration calorimetry (ITC)2. Due to the greater sensitivity of fluorescence-based techniques in comparison with CD, we employ the fluorimety to explore the interaction between four new distamycin analogs and DNA from herring sperm. O2NNNOHNNO…     

Study on the Binding Effect between Cordycepin and Calf Thymus DNA by Circular Dichroism

DNA works as hereditary material and plays vital role in life science. The study of the binding of small molecules complex to DNA has been the focus of intense investigation, owning to their stereo and sequence specific interaction with the double helix1-…     

A theoretical study of CO adsorption on gold by Hückel theory and density functional theory calculations

It is crucial to understand the nature of CO adsorption on gold so as to elucidate the mechanism of low-temperature CO oxidation on nanogold catalysts. We performed theoretical analysis of CO adsorption on gold by using Hückel theory and density functional theory (DFT) calculations. Hückel theory indicates that CO adsorption on gold is dominated by the electron distribution at the Au atom, which is greatly affected by neighboring Au atoms, coadsorbed or doping species. The increase of σ-bonding electrons should weaken the CO adsorption, while the increase of π-electrons should strengthen the adsorption. DFT calculations proved this prediction quantitatively for various systems, including CO adsorption on a Au(100)-hex surface with locally varying subsurface configurations and CO coadsorption with acceptor or donor species.     

Study on the Interaction between Strychnine and Bovine Serum Albumin by Capillary Electrophoretic Frontal Analysis

Most drugs are usually bound to proteins such as serum albumin,α1-acid glycoprotein,lipoprotein,and other blood constituents.The plasma concentration of an unbound drug shows better correlation to the pharmaceutical activity1.It is therefore necessary to know the extent of drug-protein binding in order to adjust the optimal therapeutic dose of the drug.Strychnos nux-vomica L.(Loganiaceae)is an evergreen tree native to southeast Asia.Its dried seeds are used for treatment of nervous diseases…     

Study on the inclusion interaction of methylated-β-cyclodextrins with albendazole by spectrofluorimetry and its application

The inclusion interaction between three types of methylated-β-cyclodextrins （Me-β-CDs） and albendazole （ABZ） was studied by spectrofluorimetry. The result showed that Me-β-CDs reacted with ABZ to form an inclusion complex, 1： 1 stoichiometry for Me- β-CDs-ABZ complex was established and its association constant have been determined from fluorescence data by Benesi- Hildebrand＇s method （double reciprocal plots）. It was noted that 2,6-DM-β-CD exhibited stronger binding ability than other Me-β- CDs. Based on the significant enhancement of fluorescence intensity of inclusion complex, a simple and highly sensitive fluorimetric method is proposed for the determination of ABZ in the presence of 2,6-DM-β-CD. The proposed method was successfully applied to the determination of ABZ in tablets and human urine.     

Study of phase transitions in 4-n-alkoxybenzilidene-4′-n-alkylanilines by one and two dimensional 13C NMR

Abstract

The phase transition of a series of homologous liquid-crystalline compounds, nO.m (4-n-alkoxybenzilidene-4′-n-alkylanilines), from the nematic phase to the smectic A phase has been studied by ¹³C NMR. The order parameters, determined by a two dimensional technique called separated local field spectroscopy combined with off-magic angle spinning, of different molecular segments of these compounds are related linearly to the ¹³C chemical shifts. Changes in the order parameters of the phenyl rings as well as those of the chains during the S_A–N transition depend on the nature of the phase transition. These changes are quantitatively related to the McMillan ratio, which is defined as the ratio between the S_A–N transition temperature (T _SAN) and the nematic to isotropic transition temperature (T _NI), i.e. M = T _SAN/T _NI. The S_A–N transition is first order for M > M _TCP, and second order for M < M _TCP, where TCP is the tricritical point. The value of M _TCP was found to be 0·958 ± 0·004, in excellent agreement with that obtained from spin probe studies (0·959 ± 0·005) reported by Freed and co-workers [1].     

Influence of the Thiophene Ring on the Molecular Order of Structurally Simple π-Conjugated Smectogens: 13C NMR Study

Structurally simple rod-like π-conjugated mesogens with thiophene directly connected to phenyl, biphenyl, and fluorenone rings with terminal chains are synthesized respectively. The occurrence of smectic A/smectic C phases is concurred by a hot-stage optical polarising microscope (HOPM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD). The static 1D and 2D ¹³C nuclear magnetic resonance (NMR) studies in the liquid crystalline phase are carried out to find the alignment-induced chemical shifts (AIS) and ¹³C−¹H dipolar couplings. The orientational order parameters of the mesogens determined from ¹³C−¹H dipolar couplings disclose that the long axis is not only collinear to the C3−C4 bond of the thiophene ring but also for the local axes of phenyl and biphenyl rings. For fluorenone-based mesogen, the molecular biaxiality is found to be high owing to the increased breadth of the molecule. The study unveils that the orientation of thiophene and the phenyl rings is similar in the current mesogens in stark contrast to mesogens, where thiophene is connected to phenyl rings through linking groups.     

EPR Study on the complex formed by charge-transfer process between ground-state acceptor chloranil and nine donors

EPR study showed that the semi-quinone radical anion of chloranil (TCQ) was formed in a charge-transfer process between ground state chloranil as acceptor and each one of the following ground state donors,i.e.,N,N'-diethyl aniline (DEA),phenothiazine (PTZ),carbazole (CBZ),pyrene (PY),ferrocene (FRO),triphenylphosphine (TPP),triethylamine (TEA),anthracene (AN) and N,N-diethyl-3-aminophenyl ester of palmitic acid (DPP).Our results indicate that there is a tunneling effect for the ground-state charge-transfer process between chloranil and the donor.     

Study of the sedge (Cárex) lignin by high-resolution mass spectrometry and NMR spectroscopy

Russian Chemical Bulletin - A combination of high-resolution mass spectrometry based on an orbital ion trap and 2D NMR spectroscopy was first applied to the characterization of the structure of...     

A Study on the Effects of Carrier Gases on the Structure and Morphology of Carbon Nanotubes Prepared by Pyrolysis of Ferrocene and C2H2 Mixture

Carbon nanotubes （CNTs） were prepared using different carrier gases, with ferrocene as the catalyst precusor and acetylene as the carbon source. The effects of ammonia and nitrogen as carrier gases on the structure and morphology of CNTs were investigated. Transmission electron microscope （TEM）, high-resolution electron microscope （HRTEM）, scanning electron microscope （SEM） and X-ray diffraction （XRD） were employed to characterize the products and the catalyst. Experiment results show that the CNTs grown in N2 gas exhibited cylindrical and tubular structure, while a bamboo-like structure was observed for the CNTs grown in NH3 gas. Moreover, vertically aligned CNTs were obtained on an A12O3 disk when NH3 was used as the carrier gas. The carrier gas also exerted influence on the shape of the catalyst. Based on the theory of active centers of catalysis and combined with the particle shape of the catalyst, a growth model for the vertically aligned CNTs on the substrate is given.