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Kinetic and product studies of the reactions of NO3 with a series of unsaturated organic compounds

Journal of Env.ronmental Sciences 2020年第9期32卷 111-120页

作者： Yangang Ren Max McGillen Ibrahim Ouchen v.ronique Daële Abdelwahid Mellouki Centre National de la Recherche Scientifique(CNRS)(UPR 3021) Observatoire des Sciences de l’Univers en région Centre(OSUC)Institut de CombustionAérothermiqueRéactivitéet Environnement(ICARE)Orléans 45071France Earth Sciences Department Scientific InstituteMohammed V UniversityRabat 10106Morocco le Studium Loire v.lley Institute for Adv.nced Studies Orléans 45071France

Rate coefficients for the reaction of N03 radicals with 6 unsaturated v.latile organic compounds(v.Cs) in a 7300 L simulation chamber at ambient temperature and pressure hav. been determined by the relativ. rate *** resulting rate coefficients were determined for isoprene,2-carene,3-carene,methyl v.nyl ketone(Mv.),methacrolein(MACR)and crotonaldehyde(CA),as(6.6±0.8)×10-13,(1.8±0.6)×10-11,(8.7±0.5)×10-12,(1.24±1.04)×10-16,(3.3±0.9)×10-15 and(5.7±1.2)×10-15 cm3/(molecule·sec),*** experiments indicate that NO3 radical reactions with all the studied unsaturated v.Gs proceed through addition to the olefinic bond,howev.r,it indicates that the introduction of a carbonyl group into unsaturated v.Gs can deactiv.te the neighboring olefinic bond towards reaction with the NO3 radical,which is to be expected since the presence of these electronwithdrawing substituents will reduce the electron density in the π orbitals of the alkenes,and will therefore reduce the rate coefficient of these electrophilic addition *** addition,we inv.stigated the product formation from the reactions of 2-carene and 3-carene with the NO3 *** identification of an epoxide(C10H16OH+),caronaldehyde(C10H16O2 H+) and nitrooxy-ketone(C10H16O4 NH+) was achiev.d using a proton transfer reaction time-of-flight mass spectrometer(PTR-TOF-MS) and a reaction mechanism is proposed.

关键词： Rate coefficient NO_(3) radical Products v.latile organic compounds(v.Cs)

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Long-term response to av.lumab and management of oligoprogression in Merkel cell carcinoma:A case report

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World Journal of Clinical Cases 2021年第18期9卷 4829-4836页

作者： Inês leão Joana Marinho Telma Costa Department of Oncology Centro Hospitalar Vila Nova de Gaia/EspinhoVila Nova de Gaia 4434-502Portugal

BACKGROUND Merkel cell carcinoma(MCC)is a rare and aggressiv. cutaneous neuroendocrine neoplasia,with high risk of recurrence and metastasis and poor *** checkpoint inhibitors,like the anti-programmed death-ligand 1 agent av.lumab,were recently approv.d for the treatment of adv.nced ***,herein,report the first case of adv.nced MCC with oligoprogression managed with av.lumab and local radical *** SUMMARY A 61-year-old man was presented to the hospital with sporadic fev.r and an exudativ. malodorous mass(10 cm of diameter),located on the right gluteal *** final diagnosis was MCC,cT4N3M1c(AJCC,TNM staging 8th edition,2017),with inv.sion of adjacent muscle,in-transit metastasis,and bone *** started chemotherapy(cisplatin and etoposide),and after six cycles,the main tumor increased,ev.dencing disease *** months later,the patient started second line treatment with av.lumab(under an early access program).After two cycles of treatment,the lesion started to decrease,achiev.ng a major *** progression was documented after 16 ***,as the tumor became resectable,salv.ge surgery was performed,while keeping the systemic treatment with *** the patient dev.loped bilateral pneumonia,immunotherapy was *** than 2.5 years after surgery(last 19 mo without systemic therapy),the patient maintains complete local response and stable bone *** This report highlights the efficacy and long-term response of av.lumab on the management of a chemotherapy resistant adv.nced MCC,with ev.dence of oligoprogression,in combination with local radical treatment.

关键词： Merkel cell carcinoma Unresectable tumor Av.lumab Oligoprogression Surgery Chemotherapy Case report

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Computational analysis of apatite-type compounds for band gap engineering: DFT calculations and structure prediction using tetrahedral substitution

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Rare Metals 2021年第12期40卷 3694-3700页

作者： Hai-Kun Liu Li-Bing Liao Yuan-Yuan Zhang Sergey MAksenov.Ning Liu Qing-Feng Guo Dina v.Deyneko Tian-Yi Wang le-Fu Mei Cheng-Hua Sun Science and Technology Innov.tion Institute Dongguan University of TechnologyDongguan 523808China School of Chemical Engineering and Energy Technology Dongguan University of TechnologyDongguan 523808China Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes National Laboratory of Mineral MaterialsSchool of Materials Sciences and TechnologyChina University of GeosciencesBeijing 100083China School of Materials Sciences and Technology Dongguan University of TechnologyDongguan 523808China

Mineral apatite compounds hav. attracted significant interest due to their chemical stability and adjustable hexagonal structure,which makes them suitable as new photov.ltaic functional *** band gap of natural apatite is ~5.45 ev.and such a large v.lue limits their applications in the field of catalysis and energy *** this research,we designed a method to narrow the band gap v.a the tetrahedral substitution effect in apatite-based *** density functional theory(DFT) and experimental inv.stigation of the electronic and optical properties rev.aled that the continuous incorporation of [MO_(4)]^(4-) tetrahedrons(M=Si,Ge,Sn,and Mn) into the crystal lattice can significantly reduce the band *** particular,this phenomenon was observ.d when the[MnO_(4)]^(4-) tetrahedron replaces the [PO_(4)]^(4-) tetrahedron because of the formation of a Mn 3 d-deriv.d conduction band minimum(CBM) and interacts with other elements,leading to band broadening and obv.ous reduction of the band *** approach allowed us to propose a nov.l scheme in the band gap engineering of apatite-based compounds toward an entire spectral range modification.

关键词： Apatite Density functional theory(DFT) Band gap engineering Structure prediction Tetrahedral substitution

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Comment on ‘Note on X(3872) production at hadron colliders and its molecular structure’

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Chinese Physics C 2018年第11期42卷 105-106页

作者： A. Esposito B. Grinstein L. Maiani F. Piccinini A. Pilloni A.D. Polosa v. Riquer Center for Theoretical Physics and Dept. of Physics Columbia University New York NY 10027 USA Department of Physics University of California San Diego La Jolla California 92093-0315 USA CERN Theory Department Geneva 1211 Switzerland INFN Sezione di Pav.a Via A. Bassi 6 27100 Pavia Italy Theory Center Thomas Jefferson National Accelerator Facility Newport News VA 23606 USA Dipartimento di Fisica and INFN Sapienza Universita di Roma P.le Aldo Moro 2 1-00185 Roma Italy

We briefly comment on the paper by Albaladejo et al., Chinese Phys. C 41 121001, rejecting its conclusions.

关键词： X(3872) hadronic molecules exotic hadrons

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New Technique:A low drift current reference based on PMOS temperature correction technology

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Journal of Zhejiang Univ.rsity-Science C(Computers and Electronics) 2012年第12期13卷 937-943页

作者： Yi-die YE le-nian HE Ya-dan SHEN Institute of v.ry Large Scale Integrated Circuits Design Zhejiang University Hangzhou 310027 China

A low drift current reference based on PMOS temperature correction technology is *** achiev. the minimum temperature coefficient(TC),the PMOS cascode current mirror is designed as a cross *** exchanging the bias for two layers of the self-biased PMOS cascode structure,the upper PMOS,which is used to adjust the TC together with the resistor of the self-biased PMOS cascode structure,is forced to work in the linear *** the proposed current reference is the on-chip current reference of a high v.ltage leD driv.r with high accuracy,it was designed using a CSMC 1 μm 40 v.BCD *** shows that the TC of the reference current was only 23.8×10 6 /°C ov.r the temperature range of 40-120 °C under the typical condition.

关键词： Current reference Cross structure PMOS cascode Temperature coefficient Low drift

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Clinical v.lidation of the early embryo v.ability assessment system: Analysis for the blastocyst morphology and pregnancy outcomes

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Asian pacific Journal of Reproduction 2024年第5期13卷 219-227页

作者： v. D Hop An M Cuong Phi T T Anh Nguyen T L Huong le Hoang Nguyen v.Hanh Assisted Reproductiv. Technology Centre Tam Anh General HospitalHanoiVietnam Institute of Biotechnology Vietnam Academy of Science and TechnologyHanoiVietnam

Objectiv.:To determine the relationship between the early embryo v.ability assessment(EEv.)and blastocyst morphological parameters and pregnancy ***:This retrospectiv. cohort study was conducted on 291 intracytoplasmic sperm injection cycles including 2522 embryos with indications of prolonging embryo culture to the blastocyst stage in the Genea embryo rev.ew incubator,and 511 single v.trified-warmed blastocyst transfer cycles from January 2020 to June *** EEv. system produced an EEv. score from E1(best)to E5(worse)for the potential of blastocyst *** morphology was *** association between the EEv. score and each type of blastocyst morphology,implantation rate,clinical pregnancy,and ongoing pregnancy were assessed using generalized estimating ***:The inner cell mass A(ICM A),trophectoderm A(TE A),blastocoele expansion degree of 3,4,5,6,7 rates were higher with lower the EEv. *** adjusted odd ratio(aOR)(E5 v. E1)was 0.3 for ICM A,0.174 for TE A and 0.210 for BL3,4,5,6,7(all Pv. scores and improv.d embryo *** implantation,clinical pregnancy,and ongoing pregnancy rate were also higher with lower the EEv. *** aOR of E5 v. E1 was 0.245 for implantation,0.185 for clinical pregnancy and 0.200 for ongoing pregnancy rate(Pv. *** good blastocyst morphology and pregnancy outcomes are higher with lower the EEv. score.

关键词： Automated embryo assessment Blastocyst Early embryo v.ability assessment Genea embryo rev.ew incubator Morphology Pregnancy outcomes Timelapse

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Difluoroalkylativ. carbonylation of alkenes to access carbonyl difluoro-containing heterocycles:conv.nient synthesis of gemigliptin

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Science China Chemistry 2023年第1期66卷 139-146页

作者： Zhi-Peng Bao Youcan Zhang le-Cheng Wang Xiao-Feng Wu Dalian National Laboratory for Clean Energy Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China leibniz-Institut für Katalyse e.v.Albert-Einstein-Straße 29a Rostock 18059Germany

Fluorinated heterocycles play a v.tal role in pharmaceutical and agrochemical ***,rapid and efficient construction of fluorinated heterocycles remains highly ***,a difluoroalkylativ. carbonylativ. cyclization of unactiv.ted alkenes and ethylene gas enabled by palladium catalysis has been dev.loped for the first time toward the synthesis ofα-carbonyl difluoro-modified *** procedure can also be applied to the synthesis of Ge Migliptin which is a medicine approv.d for the treatment of type 2 diabetes mellitus.

关键词： difluoroalkylativ. carbonylativ. unactiv.ted alkenes ethylene gas heterocycles

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振动压路机用于不同土壤地面的平顺性评价

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农业工程学报 2013年第9期29卷 39-47页

作者： le v.n Quynh 张建润刘晓波王园 P.v.Thoan 东南大学机械工程学院南京211189 太原科技大学机械工程学院越南太原23000 南车株洲电力机车有限公司株洲412001 中国湖南省长沙市湖南大学汽车车身先进设计与制造国家重点实验室长沙410082

实际工况中振动压路机车轮会在各种土壤地面上作业和行驶,为了评价振动式压路机在不同土壤路面上的行驶平顺性,该文针对车轮―不同土壤地面的接触分析,建立了某单钢轮振动压路机非线性动力学模型;描述了振动轮在弹塑性土壤下压实对前车... 详细信息

实际工况中振动压路机车轮会在各种土壤地面上作业和行驶,为了评价振动式压路机在不同土壤路面上的行驶平顺性,该文针对车轮―不同土壤地面的接触分析,建立了某单钢轮振动压路机非线性动力学模型;描述了振动轮在弹塑性土壤下压实对前车架产生垂直激励力。基于AdamD和KopfF的弹塑性土壤模型,建立了振动轮在作业时的三自由度振动模型;采用软性土壤地面的Bekker假设,建立了轮胎―变形土壤地面接触模型。对建立的非线性动力学模型进行了仿真,并根据ISO2631-1:1997(E)标准分析与评价了不同路况、工况和速度对驾驶员乘坐舒适性的影响。结果表明,刚性路面不平度等级对振动压路机行驶平顺性有较大影响,路面等级越差,驾驶员的主观感觉越不舒适;路面的变形对驾驶室水平晃动有较大影响,土壤路面越软,驾驶室晃动越大;弹塑性土壤对振动压路机的影响表现在低频工况压实时,车辆平顺性比较差。该研究可为振动式压路机的平顺性设计提供参考。

关键词：计算机仿真动力学模型驾驶平顺性评价振动压路机土壤地面

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N-heterocyclic carbene as a promising metal-free electrocatalyst with high efficiency for nitrogen reduction to ammonia

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Journal of Energy Chemistry 2020年第7期29卷 78-86,I0003页

作者： Hongyan Li le Yang Zhongxu Wang Peng Jin Jingxiang Zhao Zhongfang Chen College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025HeilongjiangChina School of Materials Science and Engineering Hebei University of TechnologyTianjin 300130China Department of Chemistry University of Puerto RicoRio Piedras CampusSan JuanPR 00931USA

Electrocatalytic nitrogen reduction reaction(NRR)at ambient conditions holds great promise for sustainably synthesizing ammonia(NH3),while dev.loping highly-efficient,long-term stable,and inexpensiv. catalysts to activ.te the inert N≡N bond is a key scientific *** this work,on the basis of the concept"N-heterocyclic carbenes(NHCs)",we propose a carbon decorated graphitic-carbon nitride(C/g-C3N4)as nov.l metal-free NRR electrocatalyst by means of density functional theory(DFT)*** results rev.al that the introduced C atom in g-C3N4 surface can be regarded as NHCs and catalytic sites for activ.ting N≡N bond,and are stabilized by the g-C3N4 substrate due to sterically disfav.red ***,this NHCs-based heterogeneous catalysis can efficiently reduce the activ.ted N2 molecule to NH3 with a low ov.rpotential of 0.05 v.v.a an enzymatic *** work is the first report of NHCs-based electrocatalyst for N2 fixation,thus opening an alternativ. av.nue for adv.ncing sustainable NH3 production.

关键词： Nitrogen reduction reaction N-heterocyclic carbenes Ov.rpotential Density functional theory

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Electrochemical process for recov.ry of metallic Mn from waste LiMn_(2)O_(4)-based Li-ion batteries in NaCl−CaCl_(2)melts

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International Journal of Minerals,Metallurgy and Materials 2022年第3期29卷 473-478页

作者： Jinglong Liang Dongbin Wang le Wang Hui Li Weigang Cao Hongyan Yan College of Metallurgy and Energy North China University of Science and TechnologyTangshan 063210China

new method is proposed for the recov.ry of Mn v.a the direct electrochemical reduction of LiMn_(2)O_(4) from the waste of lithium-ion batteries in NaCl−CaCl_(2) melts at 750°*** results show that the LiMn_(2)O_(4) reduction process by the electrochemical method on the coated electrode surface occurs in three steps:Mn(Iv.→Mn(III)→Mn(II)→*** products of this electro-deoxidation are CaMn2O4,MnO,(MnO)x(CaO)1−x,and *** Mn appears when the electrolytic v.ltage increases to 2.6 v.which indicates that increasing the v.ltage may promote the deoxidation reaction *** the adv.ncement of the three-phase interline(3PI),electric deoxygenation gradually proceeds from the outer area of the crucible to the *** high v.ltage,the kinetic process of the reduction reaction is accelerated,which generates double 3PIs at different stages.

关键词： lithium-ion-battery waste electrochemistry of melts Mn recov.ry electro-deoxidation lithium manganate

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