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Wang, Se,Hao, Ce,Wang, Dandan,Dong, Hong,Qiu, Jieshan Korean Chemical Society 2011 대한화학회지 Vol.55 No.3
The time-dependent density functional theory (TDDFT) method has been carried out to investigate the excitedstate hydrogen-bonding dynamics of phenol-$(H_2O)_2$ complex. The geometric structures and infrared (IR) spectra in ground state and different electronically excited states ($S_1$ and $T_1$) of the hydrogen-bonded complex have been calculated using the density functional theory (DFT) and TDDFT method. A ring of three hydrogen bonds is formed between phenol and two water molecules. We have demonstrated that the intermolecular hydrogen bond $O_1-H_2{\cdots}O_3-H$ of the three hydrogen bonds is strengthened in $S_1$ and $T_1$ states. In contrast, the hydrogen bond $O_5-H_6{\cdots}O_1-H$ is weakened in $S_1$ and $T_1$ states. These results are obtained by theoretically monitoring the changes of the bond lengths of the hydrogen bonds and hydrogen-bonding groups in different electronic states. The hydrogen bond $O_1-H_2{\cdots}O_3-H$ strengthening in both the $S_1$ and $T_1$ states is confirmed by the calculated stretching vibrational mode of O-H (phenol) being red-shifted upon photoexcitation. The hydrogen bond strengthening and weakening behavior in electronically excited states may exist in other ring structures of phenol-$(H_2O)_n$. Phenol-$(H_2O)_2$ 착물의 여기상태 수소 결합 동력학을 시간 의존 밀도 함수 이론(TDDFT) 법으로 연구하였다. 수소-결합된 착물에 대한 바닥 상태 및 다른 전자 여기 상태들 ($S_1$와 $T_1$)에서의 기하학적 구조와 IR 스펙트라를 밀도 함수 이론(DFT)와 TDDFT 방법을 사용하여 계산하였다. 페놀과 두 물분자 간에 3개의 수소 결합으로 구성된 고리가 형성되었다. 세 개의 수소 결합에서 분자간 수소결합 $O_1-H_2{\cdots}O_3-H$은 $S_1$ 그리고 $T_1$ 상태에서 더 강해졌지만, 수소결합 $O_5-H_6{\cdots}O_1-H$은 $S_1$과 $T_1$상태에서 약해졌다. 이러한 결과들은 다른 전자 상태에서 수소 결합과 hydrogen-bonding groups의 결합 길이의 변화를 이론적으로 모니터링하여 얻었다. 수소 결합 $O_1-H_2{\cdots}O_3-H$가 $S_1$와 $T_1$ 상태 모두에서 강화된다는 것은 OH(phenol)의 계산된 신축 진동 모드가 광 여기에 의해 적색-이동한다는 것으로부터 확인 되었다. 전자 여기 상태에서 수소 결합이 강해지고 약해지는 행동은 phenol-$(H_2O)_n$의 다른 고리 구조에 존재할 수 있다.
Research and Application of Fiber Bragg Grating Sensor in Geological Disaster Automation Monitoring
Liu Yimin,Wang Jie,Ji Weifeng,Zhou Ce,Chen Wenjun 보안공학연구지원센터 2014 International Journal of Control and Automation Vol.7 No.10
In this paper, fiber grating technology is used for accurately measure stresses, temperature and displacement. The paper introduces the basic principles of FBG technology and the wavelength demodulation method of FBG sensors, and put fiber grating technology into practical engineering projects. The paper design a optical fiber grating real-time automation monitoring system to distributed measure stress, temperature and displacement in geological disaster body, to provide effective technical supports for geological disaster prevention and mitigation.
Min Xie,Jun Wang,Xu Wang,Mingying Yin,Ce Wang,Danming Chao,Xincai Liu 한국고분자학회 2016 Macromolecular Research Vol.24 No.11
In this work, electrospun poly(ether sulfone) (PES) nanofibrous membranes coated with hydrophilic polydopamine (PES-PDA) were successfully prepared. As a separator of lithium-ion batteries, the prepared PESPDA nanofibrous membrane shows ultrahigh porosity, due to the extra-large surface area of the nanofibers. Moreover, good thermostability of PES and polydopamine also results in the low shrinkage of the membrane under high temperature. As a result of the large number of amine groups and phenolic hydroxyl groups from the polydopamine, superior electrolyte wettability and high liquid electrolyte uptake capacity of the PES-PDA nanofibrous membrane have also been disclosed through comprehensive study, which would decrease the electrolyte absorption time and improve the performance of the battery. In the cell evaluation, an expected enhancement of cell performance with reduced polarization phenomenon and improved cycling stability is observed after coating with polydopamine, which certifies the validity of the polydopamine coating.
Yumei Li,Rui Zhao,Xiang Li,Chuying Wang,Huiwei Bao,Shudan Wang,Jing Fang,Jinqiu Huang,Ce Wang 한국섬유공학회 2019 Fibers and polymers Vol.20 No.2
The endothelialization and anti-thrombotic abilities of tissue engineered vascular scaffolds are considered to be effective properties for improving the performance small-caliber vascular scaffolds. For this purpose, we designed and developed electrically conductive fibrous scaffolds based on polyaniline coated polyurethane (PANI-PU) electrospun fibersfor vascular tissue engineering applications. The porosity of PANI-PU fibers was 75.27±2.04 %. The obtained PANI-PU fibers were characterized by SEM observations, XPS analysis, water contact angle (WCA) measurement and mechanical property. The PANI functionalization aimed to improve the performance of anticoagulation and endothelialization. The WCA of PAIN-PU decreased to 35 o from 135 o of PU fibers. Blood compatibility and cytocompatibility were compared before and after PANI coating. The adhered platelet cells on PANI-PU was 6.87×105/cm2 and plasma recalcification time was 123 s. Platelet adhesion and plasma recalcification time test showed that the PANI-PU scaffolds had a certain anticoagulant effect. The hemolysis rate of PANI-PU fibers was 0.14 %, which showed that the PANI-PU scaffolds could be used as blood contact materials. The observation of endothelial cell proliferation and morphology in human umbilical vein endothelial cells showed that PANI-PU fibers were more beneficial to cell adhesion, proliferation and extension than that of PU fibers. The results demonstrates the PANI coated electrospun PU fibers have great potential in application as small-diameter vascular grafts and this work shows new insights into conductive scaffolds for vascular tissue engineering.