In our recent work [Phys. Chem. Chem. Phys. 11, 9149 （2009）], a molecular-mechanics force field-based amidc-Ⅰ vibration frequency map （MM-map） for peptides and proteins was constructed. In this work, the temperat...In our recent work [Phys. Chem. Chem. Phys. 11, 9149 （2009）], a molecular-mechanics force field-based amidc-Ⅰ vibration frequency map （MM-map） for peptides and proteins was constructed. In this work, the temperature dependence of the MM-map is examined based on high-temperature molecular dynamics simulations and infrared （IR） experiments. It is shown that the 298-K map works for up to 500-K molecular dynamics trajectories, which reasonably reproduces the 88 ℃ experimental IR results. Linear IR spectra are also simulated for two tripeptides containing natural and unnatural amino acid residues, and the results are in reasonable agreement with experiment. The results suggest the MM-map can be used to obtain the temperature-dependent amide-Ⅰ local mode frequencies and their distributions for peptide oligomers, which is useful in particular for understanding the IR signatures of the thermally unfolded species.展开更多
Super-broadband near-infrared(NIR)emission from 1100 nm to 1600 nm is observed in Bi-doped titanate glasses at the excitation of 808 nm laser diode(LD).The effects of Bi content on the optical spectra are investigated...Super-broadband near-infrared(NIR)emission from 1100 nm to 1600 nm is observed in Bi-doped titanate glasses at the excitation of 808 nm laser diode(LD).The effects of Bi content on the optical spectra are investigated.It is also found that the Bi-related emission intensity can be enhanced by Yb3+co-doping at the excitation of 980 nm LD.It should be ascribed to the energy transfer from Yb3+to active Bi ions.The energy transfer processes are studied based on the Inokuti-Hirayama(I-H)model,and the energy transfer of electric dipole-dipole interaction is confirmed to be dominant in Bi/Yb co-doped glasses.展开更多
A dual-gas sensor system is developed for CO and CO_2 detection using a single broadband light source, pyroelectric detectors and time-division multiplexing(TDM) technique. A stepper motor based rotating system and a ...A dual-gas sensor system is developed for CO and CO_2 detection using a single broadband light source, pyroelectric detectors and time-division multiplexing(TDM) technique. A stepper motor based rotating system and a single-reflection spherical optical mirror are designed and adopted for realizing and enhancing dual-gas detection. Detailed measurements under static detection mode(without rotation) and dynamic mode(with rotation) are performed to study the performance of the sensor system for the two gas samples. The detection period is 7.9 s in one round of detection by scanning the two detectors. Based on an Allan deviation analysis, the 1σ detection limits under static operation are 3.0 parts per million(ppm) in volume and 2.6 ppm for CO and CO_2, respectively, and those under dynamic operation are 9.4 ppm and 10.8 ppm for CO and CO_2, respectively. The reported sensor has potential applications in various fields requiring CO and CO_2 detection such as in the coal mine.展开更多
基金This work was supported by the National Natural Science Foundation of China （No.30870591）, the National Basic Research Program of China （No.2007CB815205） and the Chinese Academy of Sciences （Hundred Talent Fund）. Chen Han thanks Dr. Kai-cong Cai for helpful discussions.
文摘In our recent work [Phys. Chem. Chem. Phys. 11, 9149 （2009）], a molecular-mechanics force field-based amidc-Ⅰ vibration frequency map （MM-map） for peptides and proteins was constructed. In this work, the temperature dependence of the MM-map is examined based on high-temperature molecular dynamics simulations and infrared （IR） experiments. It is shown that the 298-K map works for up to 500-K molecular dynamics trajectories, which reasonably reproduces the 88 ℃ experimental IR results. Linear IR spectra are also simulated for two tripeptides containing natural and unnatural amino acid residues, and the results are in reasonable agreement with experiment. The results suggest the MM-map can be used to obtain the temperature-dependent amide-Ⅰ local mode frequencies and their distributions for peptide oligomers, which is useful in particular for understanding the IR signatures of the thermally unfolded species.
基金supported by the National Natural Science Foundation of China(Nos.51272109and50972061)the Natural Science Foundation of Zhejiang Province(Nos.R4100364and Z4110072)+1 种基金the Natural Science Foundation of Ningbo City in Zhejiang Province(No.2012A610115)K.C.Wong Magna Fund in Ningbo University
文摘Super-broadband near-infrared(NIR)emission from 1100 nm to 1600 nm is observed in Bi-doped titanate glasses at the excitation of 808 nm laser diode(LD).The effects of Bi content on the optical spectra are investigated.It is also found that the Bi-related emission intensity can be enhanced by Yb3+co-doping at the excitation of 980 nm LD.It should be ascribed to the energy transfer from Yb3+to active Bi ions.The energy transfer processes are studied based on the Inokuti-Hirayama(I-H)model,and the energy transfer of electric dipole-dipole interaction is confirmed to be dominant in Bi/Yb co-doped glasses.
基金supported by the National Key R&D Program of China(Nos.2016YFD0700101 and 2016YFC0303902)the National Natural Science Foundation of China(Nos.61775079,61627823 and 61307124)+3 种基金the Science and Technology Planning Project of Guangdong Province,China(No.2017A020216011)the Science and Technology Development Program of Jilin Province,China(No.20140307014SF)the Industrial Innovation Program of Jilin Province,China(No.2017C027)Changchun Municipal Science and Technology Bureau,China(No.14KG022)
文摘A dual-gas sensor system is developed for CO and CO_2 detection using a single broadband light source, pyroelectric detectors and time-division multiplexing(TDM) technique. A stepper motor based rotating system and a single-reflection spherical optical mirror are designed and adopted for realizing and enhancing dual-gas detection. Detailed measurements under static detection mode(without rotation) and dynamic mode(with rotation) are performed to study the performance of the sensor system for the two gas samples. The detection period is 7.9 s in one round of detection by scanning the two detectors. Based on an Allan deviation analysis, the 1σ detection limits under static operation are 3.0 parts per million(ppm) in volume and 2.6 ppm for CO and CO_2, respectively, and those under dynamic operation are 9.4 ppm and 10.8 ppm for CO and CO_2, respectively. The reported sensor has potential applications in various fields requiring CO and CO_2 detection such as in the coal mine.
