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Identification of a Reliable DFT Calculation Method to Predict the Ground-and Excited-State Properties of Nickel(Ⅱ) Complexes with Porphyrin in Crude Oil

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China Petroleum Processing & Petrochemical Technology 2023年第4期25卷 106-116页

作者： pu ning Ren Qiang Hu Dawei Fang Wei Yang Qinghe Wang Zhen Hu Anpeng Xu Lei Ge Xin SINOPEC Research Institute of Petroleum Processing Co. Ltd.Beijing 100083China Institute of Nuclear Agricultural Sciences Key Laboratory of Nuclear Agricultural Sciences of Ministry of Agriculture and Zhejiang ProvinceZhejiang UniversityHangzhou 310058China SINOPEC Geophysical Research Institute Nanjing 211103China

Metalloporphyrins have devastating effects on the deep processing and efficient utilization of petroleum resources. Various porphyrins are derived from porphin by substitution at the β, meso, or both positions. Herein, we focus on the interaction between nickel(Ⅱ) and the porphyrin skeleton. Five different density functionals were selected for determining a reliable approach to simulate porphyrin-nickel(Ⅱ) complexes. At D4h symmetry, the 10b1g, 15a1g, 4e1g and 9b2g were dominated by the 3d character of nickel. Compared with pure density functional, the hybrid functional gave larger highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO) gap, and the higher HOMO-LUMO gap also corresponded to a higher excitation energy. The characteristic Soret and Q bands modeled by timedependent density functional theory(TDDFT) calculations matched well with experimental results, and the absorption was discussed in detail with natural transition orbitals(NTO) analysis. Furthermore, the binding character of nickel(Ⅱ) with various substituted porphyrins were calculated at perdew-burke-ernzerhof(PBE) level, showed that the geometry and complexation behavior of porphyrin-nickel(Ⅱ) complexes could be significantly tuned by different substituents. The symmetry of the complex was reduced and the skeleton ring get distortion when introducing different substituents. Compared with ETIO porphyrin, the introduction of phenyl on the β position can expand the conjugated system and promote the covalent character of Ni-N bond.

关键词： porphyrin-nickel(Ⅱ) DFT/TDDFT binding character spectroscopic properties substituent effect

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Combined photodynamic therapy and ranibizumab for polypoidal choroidal vasculopathy：a 2-year result and systematic review

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International Journal of Ophthalmology(English edition) 2017年第3期10卷 413-422页

作者： Meng Zhao Hai-Ying Zhou Jun Xu Feng Zhang Wen-Bin Wei ning-pu Liu Beijing Tongren Eye Center Beijing Tongren HospitalCapita Medical UniversityBeijing Ophthalmology and Visua Sciences Key Laboratory

AIM：To report a cohort of patients with polypoidal choroidal vasculopathy（PCV）treated with photodynamic therapy（PDT）followed by intravitreal ranibizumab injection 24-48 h later,and to compare the results between eyes with PCV treated by PDT followed by intravitreal anti-vascular endothelial growth factor（VEGF）injection and intravitreal anti-VEGF injection followed by PDT by ***：Retrospective study and systematic literature review. Medical records of patients with PCV who were initially treated using PDT followed by intravitreal ranibizumab injection 24-48 h after PDT and had completed at least 2y follow-up were reviewed and analyzed. Clinical data,including age,sex,best-corrected visual acuity（BCVA）,fundus photograph,fluorescein angiography,indocyanine green angiography and optical coherence tomography were investigated. A systematic literature review was also conducted,and a visual outcome of studies over 1y was compared using Meta-analysis. RESULTS：A total of 52 patients were included in the study. Mean BCVA at baseline and follow-up at 1 or 2y were 0.71± 0.61,0.51±0.36 and 0.68±0.51 log MAR,respectively. The cumulative hazard rate for recurrence at 1 and 2y followup was 15.4% and 30.3% respectively. The percentage of eyes with polyps regression at 3,12 and 24 mo follow-up was 88.5%,84.6% and 67.3% respectively. A Meta-analysis based on 22 independent studies showed the overall vision improvements at 1,2 and 3y follow-up were 0.13±0.04（P〈0.001）,0.12±0.03（P〈0.001）,0.16±0.06（P〈0.001）,respectively. The proportion of polyps regression at 1y follow-up was 64.6%（95%CI：51.5%,77.7%,P〈0.001）in 434 eyes treated by intravitreal anti-VEGF agents beforePDT and 76.0%（95%CI：64.8%,87.3%,P=0.001）in 199 eyes treated by intravitreal anti-VEGF agents after PDT. CONCLUSION：Intravitreal ranibizumab injection 24-48 h following PDT effectively stabilizes visual acuity in the eye with PCV. PDT followed by intravitreal anti-VEGF agents may contribute to a relatively highe

关键词： polypoidal choroidal vasculopathy photodynamic therapy intravitreal ranibizumab injection Metaanalysis

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The Formation of SO_(2) and Emission Reduction Solutions in the Preparation of a Hydrogenation Catalyst Support

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China Petroleum Processing & Petrochemical Technology 2024年第1期26卷 98-106页

作者： Hu Anpeng Wang Zhen Yang Qinghe Hu Dawei Gong Yu Jia Yanzi Dai Qiaoling pu ning SINOPEC Research Institute of Petroleum Processing Beijing 100083China Zibo Qimao Catalyst Co. Ltd.Zibo 255400China

The key reason for SO_(2) formation during the production of a residue hydrogenation catalyst support was identified and subsequent emission reduction solutions were then investigated and verified *** results demonstrated that carbon-containing organic materials,including sesbania powder and cellulose,did not completely decompose over the temperature range of 350−600℃during the heating stage of the calcination process,but rather underwent a condensation reaction within the same temperature range to form carbon-containing species with a lower ratio of hydrogen to carbon and a higher condensation degree,which promoted the decomposition of sulfate to form SO_(2).Systematic experimental work revealed that three different measures,i.e.,applying the staged calcination method,reducing the heating rate,and increasing the air flow rate,during the calcination process could all achieve the effect of reducing SO_(2) emissions.

关键词： alumina sesbania powder cellulose sulfur dioxide

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Association of macular pigment optical density with early stage of non-proliferative diabetic retinopathy in Chinese patients with type 2 diabetes mellitus

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International Journal of Ophthalmology(English edition) 2016年第10期9卷 1433-1438页

作者： Chong-Yang She Hong Gu Jun Xu Xiu-Fen Yang Xue-Tao Ren ning-pu Liu Beijing Tongren Eye Center Beijing Tongren HospitalCapital Medical UniversityBeijing Ophthalmology and Visual Sciences Key Laboratory Department of Ophthalmology Ningbo Medical Treatment Center Lihuili Hospital Department of Ophthalmology Beijing Friendship HospitalCapital Medical University Department of Ophthalmology Huaxin HospitalTsing Hua University

AIM：To detect the association between macular pigment optical density（MPOD）,which reflects the antioxidant ability of retina,and diabetic retinopathy（DR）and to investigate the correlated factors of ***： Totally 435 subjects of urban Chinese were recruited to the study and divided into 3 groups： non-diabetes mellitus controls（NDM）,diabetic patients without retinopathy（DWR）,and patients with early stage of non-proliferative diabetic retinopathy（DR）.Demographic and lifestyle characteristics were ascertained by questionnaire.A food-frequency questionnaire,general physical and ophthalmic examinations were completed for all *** was measured by heterochromatic flicker *** thickness was measured by optical coherence *** difference of MPOD among 3 groups was analyzed by analysis of *** correlation analyses of MPOD with the candidate influence factors were assessed using the generalized estimating equations（GEE） ***： Of the 435 participants,34 could not perform the MPOD *** analysis included 401 subjects,including 48 were in DR group,134 in DWR group,and 219 in NDM *** was not significantly different among DR（0.49 ±0.21）,DWR（0.45 ±0.21）,and NDM（0.49±0.17） groups（P=0.24） after adjustment for fasting plasma glycemia,central foveal thickness,green vegetables,Chinese wolfberry,carotene and vitamin *** all the 401 participants included,MPOD was positively associated with central foveal thickness（E=0.0007,P=0.001）,Chinese wolfberry（E=0.0345,P=0.01）,and green vegetables（E=0.0596,P〈0.001） ***： The data suggest that MPOD level is not statistically significantly influenced by the onset of diabetes or early stage of DR in the studied *** level is positively associated with thicker central foveal thickness and higher intake of foods containing carotenoids.

关键词： diabetic retinopathy diet foveal thickness macular pigment optical density

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Outcomes of small gauge pars plicata vitrectomy for patients with persistent fetal vasculature:a report of 105 cases

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International Journal of Ophthalmology(English edition) 2017年第12期10卷 1851-1856页

作者： jing-hua liu hai lu song-feng li yong-hong jiao nan lin ning-pu liu beijing tongren eye center beijing tongren hospitalcapital medical universitybeijing ophthalmology and visual sciences key laboratoryBeijing 100730China

AIM：To evaluate the surgical outcomes in eyes with persistent fetal vasculatures（PFV） managed by small gauge pars plicata ***：Consecutive patients with PFV treated by small gauge pars plicata vitrectomy at Beijing Tongren Eye Center between January 2010 and January 2013 were retrospectively ***：A total of 118 eyes of 105 patients with PFV were included and undergone small gauge pars plicata vitrectomy,of which 84（71.2%） eyes had lensectomy and 16（13.6%） eyes had lens aspiration and immediate intraocular lens *** percentage of sutured scleral incision of 23 gauge vitrectomy（71.7%,33/46） was higher than that of the 25 gauge vitrectomy（18.1%,13/72）.At last follow-up,visual acuity remained stable in 34 eyes（28.8%） and improved in 84 eyes（71.2%）.Age at surgery（less than 2 y）,anterior type of PFV,and immediate IOL implantation were associated with postoperative improved visual *** five（55.1%） eyes had retinal detachment preoperatively,among which 33（50.8%,33/65） eyes had retinal reattachment or partial retinal ***：The results suggest that cases with PFV have a potential for developing good visual acuity after small gauge pars plicata vitrectomy with favorable anatomic outcomes and acceptable rate of serious surgical complications.

关键词： vitrectomy persistent fetal vasculature

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The diurnal variation pattern of choroidal thickness in macular region of young healthy female individuals using spectral domain optical coherence tomography

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International Journal of Ophthalmology(English edition) 2016年第4期9卷 561-566页

作者： Mcng Zhao Xiu-Fcn Yang Xuan Jiao Apiradee Lim Xue-Tao Ren Torkel Snellingen ning-pu Liu Beijing Tongren Eye Center Beijing Tongren HospitalCapital Medical UniversityBeijing Ophthalmology and Visual Sciences Key LaboratoryBeijing 100730China Department of Ophthalmology Beijing Friendship HospitalCapital Medical UniversityBeijing 100050China Department of Mathematics and Computer Science Facultyof Science and TechnologyPrince of Songkla UniversityPattani CampusMuang Pattani 90112Thailand Sekwa Institute of Medical Science Beijing 100088China

AIM： To investigate the pattern of diurnal variations of choroidal thickness of macular region of healthy individuals. ~ METHODS： A prospective study of 32 healthy female subjects was conducted. Each subject underwent 1） a questionnaire on daily schedule, 2） the Pittsburgh Sleep Quality Index questionnaire （PSQI）, and 3） ocular examinations including an eye dominance test, fundus photography, and sequential optical coherence tomography （OCT） imaging, on two separate days at five fixed 3h time intervals. Choroidal thickness was measured by two masked graders. RESULTS： A significant diurnal variation of choriodal thickness at fovea （P〈0.001）, at 500 μm nasal （P〈0.001）, temporal to fovea （P=0.01） or 1500 μm nasal to fovea （P= 0.001） was observed. The median choroidal thickness peaked at 11：00 at fovea （P=0.01）, at 500μm nasal （P = 0.009） and temporal （P=0.03） to fovea. The median amplitude of foveal choroidal thickness was 20.5 pm （13, 31） and 20.0 μm （12.5, 28.2） for the first and second series of measurements, respectively. The greater amplitude of foveal choroidal thickness was associated with thickner initial foveal choroidal thickness [ 0.05 （0.03, 0.08）, P= 0.01], dominant eye 10.51 （4.02, 14.60）, P=0.04] in the multivariate linear regression. CONCLUSION： Our data show a significant diurnal variation of the choroidal thickness at fovea, at 500 μm nasal and temporal to fovea and 1500 μm nasal to fovea. Thicker initial foveal choroidal thickness and being dominant eye may influence the amplitude of foveal choroidal thickness.

关键词： choroidal thickness diurnal variation optical coherence tomography

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Use of Cataract Surgery in Urban Beijing: a Post Screening Follow-up of the Elderly with Visual Impairment due to Age-related Cataract

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Chinese Medical Sciences Journal 2015年第1期30卷 1-6页

作者： Xue-tao Ren Torkel Snellingen Hong Gu Sawitri Assanangkornchai Yan-hong Zou Virasakdi Chongsuvivatwong Apiradee Lim Wei Jia Xi-pu Liu ning-pu Liu Sekwa Eye Hospital Epidemiology Unit Faculty of Science and Technology Prince of Songkla University Beijing Tongren Eye Center Beijing Tongren Hospital Capital Medical University Key Laboratory of Beijing Ophthalmology and Visual Sciences Department of Ophthalmology First Hospital of Tsinghua University Department of Mathematics and Computer Science Faculty of Science and Technology Prince of Songkla University

Objective To understand the perception for the use of cataract surgical services in a population acceptors and non-acceptors of cataract surgery in urban Beijing. Methods From a community-based screening program a total of 158 patients with presenting visual acuity of less than 6/18 on either eye due to age-related cataract were informed about the possibility of surgical treatment. These patients were interviewed and re-examined 36 to 46 months after initial screening. The main reasons for not accepting surgery were obtained using a questionnaire. Vision function and vision-related quality of life scores were assessed in those who received and did not receive surgery. Results At the follow-up examination 116 of the 158 patients were available and 36 （31.0%） had undergone cataract surgery. Cases who chose surgery had higher education level than those who did not seek surgery （OR=2.64, 95% CI： 1.08-6.63, P=0.02）. There were no significant differences in vision function （P=0.11） or quality of life scores （P=0.16） between the surgery group and the non-surgery group. Main reasons for not having surgery included no perceived need （50.0%）, feeling of being ＂too old＂（19.2%）, and worry about the quality of surgery （9.6%）. Cost was seeking surgery. cited by 1 （1.9%） subject as the main reason for not

关键词： cataract surgery utilization urban Beijing

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Association of choroidal thickness with early stages of diabetic retinopathy in type 2 diabetes

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International Journal of Ophthalmology(English edition) 2017年第4期10卷 613-618页

作者： Zhi-Jun Shen Xiu-Fen Yang Jun Xu Chong-Yang She Wen-Wen Wei Wan-Lu Zhu ning-pu Liu Beijing Tongren Eye Center Beijing Tongren HospitalCapital Medical UniversityBeijing Ophthalmology & Visual Science Key Lab Department of Ophthalmology the Friendship HospitalCapital Medical University

AIM：To assess the correlation between choroidal thickness（CT） and the early stages of diabetic retinopathy（DR） in type 2 diabetic ***：We divided 83 diabetic patients（51-80 years of age;50 females） into non diabetic retinopathy group（NDR） and mild/moderate nonproliferative diabetic retinopathy（NPDR） group,and compared them with 26 non-diabetic control subjects（51-78 years of age;16 females）.Subfoveal choroidal thickness（SFCT） and parafoveal choroidal thickness（PFCT） were measured using enhanced depth imaging spectral-domain optical coherence tomography（EDI-OCT）.Ocular health status,disease duration,body mass index,and hemoglobin A1c（Hb A1c） were ***：The mean ages of the NDR,NPDR,and control groups were 68.0±6.9y,67.8±6.4y,and 65.1±6.3y,respectively（P=0.17）.Pearson correlation of the right and left eyes for the control subjects was 0.95 and for the NDR subjects was *** for the right eyes of the controls was 252.77± 41.10 μm,which was significantly thicker than that of the right eyes in NDR group（221.51±46.56 μm） and the worse eyes of the NPDR group（207.18±61.87 μm;ANOVA,P〈0.01）.In the diabetic patients pooled together,age was the only variable significantly associated with SFCT（multiple linear regression analysis,P=0.01）.CONCLUSION：CT decreased significantly in the NDR and mild/moderate NPDR eyes compared with the control *** is significantly associated with SFCT in the diabetic *** choroidopathy may be present before clinical retinopathy.

关键词： choroidal thickness diabetic choroidopathy diabetic retinopathy

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Retinal vessels caliber changes after strabismus surgery：results of 6mo follow-up

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International Journal of Ophthalmology(English edition) 2016年第9期9卷 1325-1328页

作者： Ji-Peng Li Jing Fu Jin-Qiong Zhou Xiao-Zhen Wang Wen-Ying Wang ning-pu Liu Beijing Tongren Eye Center Beijing Tongren HospitalCapital Medical University Beijing Ophthalmology &Visual Sciences Key Lab Beijing 100005 China

AIM：To evaluate the effect of strabismus surgery on retinal vessels calibers with digital color fundus ***：Two hundred consecutive strabismus patients underwent surgery,and 118 patients（female/male,55/63） who finished 6-month follow-up were finally included in this *** disc-centered digital color fundus photographs of both eyes of all patients were taken prior to surgery and 6mo post *** retinal vascular caliber of 116 operated eyes were measured using the computer program *** operated eyes were divided into 3 groups according to the surgical methods,recession of one muscle,one muscle recession and one muscle folding,one muscle resection and one muscle *** effect of number of altered muscles on retinal vessels was analyzed using statistic software SPSS ***：The mean age was 12.4±*** central retinal artery equivalent（CRAE） of all patients was 120.31 ±23.02 μm preoperatively,and 122.87 ±15.93 μm six months after *** central retinal vein equivalent（CRVE） was 171.11 ±31.73 μm preoperatively and175.02±21.00 μm *** was no significant difference of averaged CRAE（P=0.22） or CRVE（P=0.19）before and after *** arteriole to venule ratio（AVR） was 0.71 ±0.07 before surgery and 0.70±0.07 after *** of preoperative and postoperative retinal vessels calibers among different surgical groups did not show significant ***,there was no advantage of rectus muscle folding to muscle ***：Up to 6mo after strabismus surgery,the retinal vascular calibers were not *** more than two muscles in one surgery are safe for retinal perfusion.

关键词： strabismus retinal vascular caliber image processing computer-assisted

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Association of C(-106)T Polymorphism in Aldose Reductase Gene with Diabetic Retinopathy in Chinese Patients with Type 2 Diabetes Mellitus

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Chinese Medical Sciences Journal 2014年第1期29卷 1-6页

作者： Yu Deng Xiu-fen Yang Hong Gu Apiradee Lim Munkhtulga Ulziibat Torkel Snellingen Jun Xu Kai Ma ning-pu Liu Department of Ophthalmology Fu Xing HospitalCapital Medical University Beijing Tongren Eye Center Beijing Tongren HospitalCapital Medical UniversityBeijing Ophthalmology and Visual Sciences Key Laboratory Department of Mathematics and Computer Science Faculty of Science and TechnologyPrince of Songkla UniversityPattani Campus Sekwa Eye Hospital

Objective To identify the possible association between C（-106）T polymorphism of the aldose reductase （ALR） gene and diabetic retinopathy （DR） in a cohort of Chinese patients with type 2 diabetes mellitus （T2DM）. Methods From November 2009 to September 2010, patients with T2DM were recruited and assigned to DR group or diabetic without retinopathy （DWR） group according to the duration of diabetes and the grading of 7-field fundus color photographs of both eyes. Genotypes of the C（-106）T polymorphism （rs759853） in ALR gene were analyzed using the MassARRAY genotyping system and an association study was performed. Results A total of 268 T2DM patients （129 in the DR group and 139 in the DWR group） were included in this study. No statistically significant differences were observed between the 2 groups in the age of diabetes onset （P=0.10） and gender （P=0.78）. The success rate of genotyping for the study subjects was 99.6% （267/268）, with one case of failure in the DR group. The frequencies of the T allele in the C（-106）T polymorphism were 16.0% （41/256） in the DR group and 19.4% （54/278） in the DWR group （P=0.36）. There was no signit^cant difference in the C（-106）T genotypes between the 2 groups （P=0.40）. Compared with the wild-type genotype, odds ratio （OR） for the risk of DR was 0.7 （95% CI, 0.38-1.3） for the heterozygous CT genotype and 0.76 （95% CI, 0.18-3.25） for the homozygous TT genotype. The risk of DR was positively associated with microalbuminuria （OR=4.61; 95% CI, 2.34-9.05） and insulin therapy （OR=3.43; 95% CI, 1.94-6.09）. Conclusions Microalbuminuria and insulin therapy are associated with the risk of DR in Chinese patients with T2DM. C（-106）T polymorphism of the ALR gene may not be significantly associated with DR in Chinese patients with T2DM.

关键词： diabetic retinopathy aldose reductase gene single nucleotide polymorphism

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