One chloride-terminated ionic liquid（CTIL） and two hydroxyl-terminated ionic liquids（HTILs） were synthesized and used as stationary phases for capillary gas chromatography（CGC）.Molecular interactions of these st...One chloride-terminated ionic liquid（CTIL） and two hydroxyl-terminated ionic liquids（HTILs） were synthesized and used as stationary phases for capillary gas chromatography（CGC）.Molecular interactions of these stationary phases were evaluated by Abraham solvation parameter model,indicating that the CTIL exhibits remarkably strong H-bond basicity and the HTILs possess both H-bond basicity and acidity.The molecular interactions were further confirmed by separation of a complex mixture consisting of ketones,aldehydes,esters,alcohols and aromatic compounds.It was found that the obtained solvation parameters correlate well with the chromatographic performances of the analytes in terms of elution order and resolution.The well correlated relationship between the solvation parameters and the selectivity of the CTIL and HTILs stationary phases is quite helpful in predicting and understanding the retention behaviors of different types of analytes on these stationary phases.展开更多
Refractive indices of the six binary mixtures between N-Butyl bromide with Aniline, Benzene, Xylene, Carbon tetrachloride, n-Heptane and Toluene for the entire concentration range have been measured at 303.15 K. Furth...Refractive indices of the six binary mixtures between N-Butyl bromide with Aniline, Benzene, Xylene, Carbon tetrachloride, n-Heptane and Toluene for the entire concentration range have been measured at 303.15 K. Furthermore, deviation in refractive indices from ideal mixture, molar refraction, deviation in molar refraction from ideal values for these mixtures has also been evaluated. The results are discussed in term of molecular interactions between the components of the binary mixtures.展开更多
Density, viscosity, and refractive index, for glycine, DL-alanine, L-serine and DL-valine have been determined in aqueous solution of 0.05 mol/kg caffeine as a function of amino acid （AA） concentration at 25, 30, 35...Density, viscosity, and refractive index, for glycine, DL-alanine, L-serine and DL-valine have been determined in aqueous solution of 0.05 mol/kg caffeine as a function of amino acid （AA） concentration at 25, 30, 35, and 40 ℃ The density data have been used to compute apparent molar volume. The partial molar volume （limiting apparent molar volume） was obtained by applying the Masson＇s equation. The viscosity data have been analyzed by means of Jones-Dole equation. The values of Falkenhagen coefficient and Jones-Dole coefficient thus obtained are used to interpret the solute-solute and solute-solvent interactions, respectively. Hydration number was also computed. The transition-state theory was applied to obtain the activation parameters of viscous flow, i.e., free energy of activation per mole of solvent, and solute. The enthalpy and entropy of activation of viscous flow were computed for the system. Refractive index was used to calculate molar refractivity of the mixtures. The results have been interpreted in the light of various interactions occurring between the components of the mixtures under applied experimental conditions.展开更多
Biologically active molecules create substitutes in liquid water by forming single-domain ferroelectric crystallites. These nanoparticles are spherical and constitute growing chains. The dipoles are aligned, but can b...Biologically active molecules create substitutes in liquid water by forming single-domain ferroelectric crystallites. These nanoparticles are spherical and constitute growing chains. The dipoles are aligned, but can be set in oscillation at the frequency of vibration of the charged part of active molecules. They are then automatically trimmed and become information carriers. Moreover, they produce an oscillating electric field, causing autocatalytic multiplication of identical chains in the course of successive dilutions. Active molecules are thus only required to initiate this process. Normally, they excite their specific receptors by resonance, but trimmed chains have the same effect. This theory is confirmed by many measurements.展开更多
Infrared spectra at different temperatures have been studied for fractions ofa liquid crystal tormmg aromatic polyester. The molecular interactions in different phases and their changes duringthe transitions were disc...Infrared spectra at different temperatures have been studied for fractions ofa liquid crystal tormmg aromatic polyester. The molecular interactions in different phases and their changes duringthe transitions were discussed. Abrupt frequency shift was found for bands of groups both in mesogens and flexible spacers during fusion and isotropization transitions. It may imply that both the mesogens and the flexible spacers are included in the same crystalline phase and give their contributions to the formation of the mesophase. The splitting into doublet of the C—O stretching vibrations was observed for both the aromatic and aliphatic esters and was attributed to the existence of local regions for ester groups different in ordering. The more ordered regions do not disappear completely even in the isotropic liquid phase.展开更多
Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spect...Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.展开更多
The reaction of CdCl2 with 6,7-dicyanodipyridoquinoxaline （DICNQ） by solvothermal reaction gives rise to a coordination polymer [CdCl2（DICNQ）]n 1. Single-crystal X-ray diffraction analysis reveals that the compoun...The reaction of CdCl2 with 6,7-dicyanodipyridoquinoxaline （DICNQ） by solvothermal reaction gives rise to a coordination polymer [CdCl2（DICNQ）]n 1. Single-crystal X-ray diffraction analysis reveals that the compound in space group Pbcn creates 1-D chloro-bridging chains. Crystal data for 1： a = 6.756（1）, b = 35.371（6）, c = 7.027（1）A , V = 1679.1（5） A^3, Z = 4.00, C16H6CdCl2N6, Mr = 465.57, Dc = 1.842 g/cm^3, μ = 1.630 mm-1, F（000） = 904, S = 1.005 and T = 293（2） K. The final R = 0.0376 and wR = 0.1029 for 1291 observed reflections with I 〉 2σ（I）, and R = 0.0499 and wR = 0.1125 for all data. The 1-D chloro-bridging chains are parallel-stacked in the a and b directions, and further stabilized through π-stacking interactions, hydrogen-bonding interactions and C≡N···π interactions to generate a 3-D structure. Compound 1 displays intense bluish-green photoluminescence from the intraligand charge-transfer of the DICNQ ligand and the Cl--to-DICNQ charge-transfer mechanism which is probed by the density of states （DOS） calculations.展开更多
基金the National Nature Science Foundation of China(No.20675007).
文摘One chloride-terminated ionic liquid（CTIL） and two hydroxyl-terminated ionic liquids（HTILs） were synthesized and used as stationary phases for capillary gas chromatography（CGC）.Molecular interactions of these stationary phases were evaluated by Abraham solvation parameter model,indicating that the CTIL exhibits remarkably strong H-bond basicity and the HTILs possess both H-bond basicity and acidity.The molecular interactions were further confirmed by separation of a complex mixture consisting of ketones,aldehydes,esters,alcohols and aromatic compounds.It was found that the obtained solvation parameters correlate well with the chromatographic performances of the analytes in terms of elution order and resolution.The well correlated relationship between the solvation parameters and the selectivity of the CTIL and HTILs stationary phases is quite helpful in predicting and understanding the retention behaviors of different types of analytes on these stationary phases.
文摘Refractive indices of the six binary mixtures between N-Butyl bromide with Aniline, Benzene, Xylene, Carbon tetrachloride, n-Heptane and Toluene for the entire concentration range have been measured at 303.15 K. Furthermore, deviation in refractive indices from ideal mixture, molar refraction, deviation in molar refraction from ideal values for these mixtures has also been evaluated. The results are discussed in term of molecular interactions between the components of the binary mixtures.
文摘Density, viscosity, and refractive index, for glycine, DL-alanine, L-serine and DL-valine have been determined in aqueous solution of 0.05 mol/kg caffeine as a function of amino acid （AA） concentration at 25, 30, 35, and 40 ℃ The density data have been used to compute apparent molar volume. The partial molar volume （limiting apparent molar volume） was obtained by applying the Masson＇s equation. The viscosity data have been analyzed by means of Jones-Dole equation. The values of Falkenhagen coefficient and Jones-Dole coefficient thus obtained are used to interpret the solute-solute and solute-solvent interactions, respectively. Hydration number was also computed. The transition-state theory was applied to obtain the activation parameters of viscous flow, i.e., free energy of activation per mole of solvent, and solute. The enthalpy and entropy of activation of viscous flow were computed for the system. Refractive index was used to calculate molar refractivity of the mixtures. The results have been interpreted in the light of various interactions occurring between the components of the mixtures under applied experimental conditions.
文摘Biologically active molecules create substitutes in liquid water by forming single-domain ferroelectric crystallites. These nanoparticles are spherical and constitute growing chains. The dipoles are aligned, but can be set in oscillation at the frequency of vibration of the charged part of active molecules. They are then automatically trimmed and become information carriers. Moreover, they produce an oscillating electric field, causing autocatalytic multiplication of identical chains in the course of successive dilutions. Active molecules are thus only required to initiate this process. Normally, they excite their specific receptors by resonance, but trimmed chains have the same effect. This theory is confirmed by many measurements.
文摘Infrared spectra at different temperatures have been studied for fractions ofa liquid crystal tormmg aromatic polyester. The molecular interactions in different phases and their changes duringthe transitions were discussed. Abrupt frequency shift was found for bands of groups both in mesogens and flexible spacers during fusion and isotropization transitions. It may imply that both the mesogens and the flexible spacers are included in the same crystalline phase and give their contributions to the formation of the mesophase. The splitting into doublet of the C—O stretching vibrations was observed for both the aromatic and aliphatic esters and was attributed to the existence of local regions for ester groups different in ordering. The more ordered regions do not disappear completely even in the isotropic liquid phase.
文摘Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.
基金Supported by the NNSFC (20701037, 90922035)973 program (2009CB939801)+1 种基金Key Project from the CAS (KJCX2.YW.M10)the NSF of Fujian Province (2008I0026, 2008F3115)
文摘The reaction of CdCl2 with 6,7-dicyanodipyridoquinoxaline （DICNQ） by solvothermal reaction gives rise to a coordination polymer [CdCl2（DICNQ）]n 1. Single-crystal X-ray diffraction analysis reveals that the compound in space group Pbcn creates 1-D chloro-bridging chains. Crystal data for 1： a = 6.756（1）, b = 35.371（6）, c = 7.027（1）A , V = 1679.1（5） A^3, Z = 4.00, C16H6CdCl2N6, Mr = 465.57, Dc = 1.842 g/cm^3, μ = 1.630 mm-1, F（000） = 904, S = 1.005 and T = 293（2） K. The final R = 0.0376 and wR = 0.1029 for 1291 observed reflections with I 〉 2σ（I）, and R = 0.0499 and wR = 0.1125 for all data. The 1-D chloro-bridging chains are parallel-stacked in the a and b directions, and further stabilized through π-stacking interactions, hydrogen-bonding interactions and C≡N···π interactions to generate a 3-D structure. Compound 1 displays intense bluish-green photoluminescence from the intraligand charge-transfer of the DICNQ ligand and the Cl--to-DICNQ charge-transfer mechanism which is probed by the density of states （DOS） calculations.
