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Protic vs aprotic ionic liquid for CO2 fixation:A simulation study

Green Energy & Environment 2020年第2期5卷 183-194页

作者： Wenzhong Sun Meichen Wang Yaqin Zhang Weilu Ding Feng Huo Li Wei hongyan he School of Light Industry&Chemical Engineering Dalian Polytechnic UniversityDalian 116034China Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China Dalian National Laboratory for Clean Energy Dalian 116023China

The cycloaddition of CO2 with epoxides catalyzed by ionic liquids(ILs)has been a widely ongoing studied hot topic over the *** experimental research has shown that the protic ionic liquids(PILs)behave stronger hydrogen proton donating ability than aprotic ionic liquids(APILs),and can effectively catalyze the cycloaddition of ***,the mechanistic explanation remains primarily ***,a detailed simulation study on the cycloaddition reaction catalyzed by PIL([HDBU][Mim])in comparison with APIL([MeDBU][Mim])re-action catalysts was conducted,including the three-step route(ring-opening of PO(propylene oxide),insertion of CO2 and ring-closure of propylene carbonate(PC))and two-step route(simultaneously ring-opening of PO and addition of CO2,and then ring-closure of PC).Based on the activation energy barrier of the rate-determining step,PIL preferentially activates PO as the optimal route for the reaction with the energy barrier of 23.2 kcal mol-1,while that of APIL is 31.2 kcal *** role of[HDBU]+in the reaction was also explored and found that the direct formation of intermolecular hydrogen bond(H-bond)between[HDBU]+and the reactants(PO+CO2)was unfavorable for the reaction,while the cooperation with the anion[Mim]-to assist indirectly was more *** fully consider the reaction microenvironment of ILs,ONIOM calculation was used to study the solvent *** last,the above conclusions were further verified by the analysis of intermediates with charge,non-covalent interaction(NCI),and atoms in molecules(AIM)*** computational findings show that ILs studied in this work have dual functions of catalyst and solvent,enabling a microscopic understanding of the ILs catalyst for CO2 utilization as well as providing guidance for the rational design of more efficient ILs-based catalysts.

关键词： Ionic liquid CO2 conversion Cycloaddition Synergistic catalysis DFT calculations

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Electrolyte for lithium protection: From liquid to solid

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Green Energy & Environment 2019年第4期4卷 360-374页

作者： Xiaohong Wu Kecheng Pan Mengmin Jia Yufei Ren hongyan he Lan Zhang Suojiang Zhang CAS Key Laboratory of Green Process and Engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China School of Chemical Engineering&Technology Tianjin UniversityTianjin 300072China

Lithium battery with high energy density and enhanced safety is undoubtedly the ideal choice for consumer electronics and electric *** anode such as lithium has been considered as the most effective way to enhance the energy density as it provides ultra-high theoretical capacity and the lowest redox ***,due to the low coulombic efficiency as well as safety concerns originated from dendrite issue of lithium,its further commercial utilization is *** growth is a common phenomenon in metal electrodeposition while the plating process of Li is more complicated than other metals for its high reactivity *** a matter of fact,the Li plating process is accompanied with the generation of solid electrolyte interphase(SEI)in which the electrolyte plays a vital *** this paper,recent advances of electrolytes for Li protect application are reviewed,from liquid to gel polymer and solid state,on which we find that although tremendous progress has been accomplished,there are still great challenges before Li metal anode could be commercially used.

关键词： Lithium battery Dendrite Lithium protection Electrolyte SEI

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Computational studies of the structure and cation-anion interactions in 1-ethyl-3-methylimidazolium lactate ionic liquid

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Science China Chemistry 2012年第8期55卷 1548-1556页

作者： he hongyan ZheNG YanZhen CheN Hui ZHANG XiaoChun YAO XiaoQian ZHANG SuoJiang Beijing Key Laboratory of Ionic Liquids Clean Process Chinese Academy of SciencesBeijing 100190China College of chemistry and Chemical Engineering Graduate University of Chinese Academy of SciencesBeijing 100049China Key Laboratory of Bioorganic Phosphorous Chemistry and Chemical Biology Department of ChemistryTsinghua UniversityBeijing 100084China

Quantum chemical calculations of the structures and cation-anion interaction of 1-ethyl-3-methylimidazolium lactate ([Emim][LAC]) ion pair at the B3LYP/6-31++G** theoretical level were performed. The relevant geometrical characteristics, energy properties, intermolecular H-bonds (H-bonds), and calculated IR vibrations with respect to isolated ions were systematically discussed. The natural bond orbital (NBO) and atoms in molecule (AIM) analyses were also employed to understand the nature of the interactions between cation and anion. The five most stable geometries were verified by analyzing the relative energies and interaction energies. It was found that the most of the C-H···O intermolecular H-bonds interactions in five stable conformers have some covalent character in nature. The elongation and red shift in IR spectrum of C-H bonds which involve in H-bonds is proved by electron transfers from the lone pairs of the carbonyl O atom of [LAC] to the C-H antibonding orbital of the [Emim]+. The interaction modes are more favorable when the carbonyl O atoms of [LAC] interact with the C2-H of the imidazolium ring and the C-H of the ethyl group through the formation of triple H-bonds.

关键词： interionic interaction structure hydrogen bond lactate-based ionic liquid quantum chemical calculations

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Study of screening,transport pathway,and vasodilation mechanisms on angiotensin-Ⅰconverting enzyme inhibitory peptide from Ulva prolifera proteins

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Acta Oceanologica Sinica 2023年第11期42卷 98-106页

作者： Zhiyong Li Yuan he hongyan he Caiwei Fu Mengru Li Aiming Lu Dongren Zhang Tuanjie Che Songdong Shen School of Biology&Basic Medical Sciences Soochow UniversitySuzhou 215101China Key Laboratory of Functional Genomic and Molecular Diagnosis of Gansu Province Lanzhou 730030China

In this study,Ulva prolifera protein was used for preparing angiotensin-I converting enzyme(ACE)-inhibitory peptide via virtual gastrointestinal digestion and in silico *** parameters of the obtained peptide,such as inhibition kinetics,docking mechanism,stability,transport pathway,were explored by Lineweaver-Burk plots,molecular docking,in vitro stimulate gastrointestinal(GI)digestion and Caco-2 cells monolayer model,***,a novel anti-ACE peptide LDF(IC_(50),(1.66±0.34)μmol/L)was screened and synthesized by chemical *** was a no-competitive inhibitor and its anti-ACE inhibitory effect mainly attributable to four Conventional Hydrogen Bonds and Zn701 *** could keep activity during simulated GI digestion in vitro and was transported by peptide transporter PepT1 and passive-mediated ***,it could activate Endothelial nitric oxide synthase(eNOS)activity to promote the production of NO and reduce Endothelin-1(ET-1)secretion induced by AngiotensinⅡ(AngⅡ)in Human Umbilical Vein Endothelial Cells(HUVECs).Meanwhile,it could promote mice splenocytes proliferation in a concentration-dependent *** study indicated that this peptide was a potential ingredient functioning on vasodilation and enhancing immunity.

关键词： Ulva prolifera protein ACE-inhibitory peptide in vitro GI digestion vasodilation mechanism immunomodulation

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汶川车厘子中矿质元素含量测定与分析

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南方农业 2024年第7期18卷 58-60页

作者：廖辉刘林戴先芝任朝琴何红艳阿坝师范学院四川汶川623000

为了给汶川车厘子的资源开发提供参考,用微波消解-火焰原子吸收光谱法测定汶川车厘子中镁、铁、钙、铜、锰、钠、镍、钾等8种矿质元素的含量。结果表明,车厘子果肉中各种矿物质含量存在不同程度的差异,其中钾、钙、镁含量较高,分别为1 1... 详细信息

为了给汶川车厘子的资源开发提供参考,用微波消解-火焰原子吸收光谱法测定汶川车厘子中镁、铁、钙、铜、锰、钠、镍、钾等8种矿质元素的含量。结果表明,车厘子果肉中各种矿物质含量存在不同程度的差异,其中钾、钙、镁含量较高,分别为1 144.26、498.43、221.21 mg·kg^(-1);钠、铁的含量次之,分别为56.24、15.69 mg·kg^(-1);锰、镍、铜的含量最低,分别为5.02、2.35、2.19 mg·kg^(-1)。该测定方法的相对标准偏差在1.55%~3.67%之间。

关键词：车厘子矿质元素火焰原子吸收光谱法四川省汶川县

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Increasing the greenness of an organic acid through deep eutectic solvation and further polymerisation

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Green Energy & Environment 2022年第4期7卷 840-853页

作者： Liteng Li Xiaofang Li Susu Zhang Hongyuan Yan Xiaoqiang Qiao hongyan he Tao Zhu Baokun Tang College of Pharmaceutical Science Institute of Life Science and Green DevelopmentKey Laboratory of Medicinal Chemistry and Molecular Diagnosis of Ministry of EducationHebei UniversityBaoding071002China CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing010190China

Acrylic acid(AA)is an important and widely used industrial chemical,but its high toxicity renders its use incompatible with the concept of green *** leveraging its terminal carboxyl group and unsaturated bond,we designed and explored a new strategy to increase the greenness of AA via its eutectic melting using a quaternary ammonium salt(choline chloride)to form a deep eutectic solvent(DES),followed by polymerisation of the DES to form a polymer(poly(DES)).The greenness of AA,DES,and poly(DES)was evaluated via an in vitro test using MGC80-3 cells and an in vivo test using Kunming *** toxicity improved from Grade 2(moderately toxic)for AA to Grade 1(slightly toxic)for DESs and Grade 0(non-toxic)for poly(DES)in the in vitro ***,the poly(DES)s showed a lower toxicity in mice than the DESs in the in vivo ***,greenness enhancement was successfully achieved,with the greenness following the order AAhermore,the mechanisms underlying the change in toxicity were explored through microscopy and flow cytometry,which revealed that the DES can permeate the MGC80-3 cell membrane during the G_(0)/G_(1) phase to adversely affect DNA synthesis in the S phase,but the poly(DES)***,the green poly(DES),which showed good adsorption properties and flexible functionality,was successfully applied as a carrier or excipient of *** the novel strategy reported herein,greenness enhancement and the broadening of the application scope of a toxic organic acid were achieved,making such acids applicable for green development.

关键词： Greenness Deep eutectic solvent Polymer Toxicity Application

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Principles and strategies for green process engineering

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Green Chemical Engineering 2022年第1期3卷 1-4页

作者： Suojiang Zhang hongyan he Qing Zhou Xiangping Zhang Xingmei Lu Yuan Tian Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing100190China

The evolution of human civilization is becoming increasingly synchronized with the development of science and technology. Every step toward advancement achieved by humans showcases our creativity and ability to realize ideas in practice. However, due to human activities aimed at goal fulfillment, Mother Earth has undeniably undergone many irreversible changes, which in turn have negatively impacted the environment [1].

关键词： becoming irreversible advancement

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血清ATX、HO-1联合SNAPPE-Ⅱ评分对新生儿急性呼吸窘迫综合征病情和预后的评估价值

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临床肺科杂志 2024年第6期29卷 872-877页

作者：王梦莹贺红岩李美娇常晓丹保定市第二中心医院新生儿科河北保定072750

目的探讨血清自分泌运动因子(ATX)、血红素加氧酶-1(HO-1)联合新生儿急性生理学评分围产期补充Ⅱ(SNAPPE-Ⅱ)评分对新生儿急性呼吸窘迫综合征(NARDS)病情和预后的评估价值。方法选择2018年6月至2021年6月保定市第二中心医院新生儿科... 详细信息

目的探讨血清自分泌运动因子(ATX)、血红素加氧酶-1(HO-1)联合新生儿急性生理学评分围产期补充Ⅱ(SNAPPE-Ⅱ)评分对新生儿急性呼吸窘迫综合征(NARDS)病情和预后的评估价值。方法选择2018年6月至2021年6月保定市第二中心医院新生儿科收治的90例NARDS患儿(NARDS组),根据氧合指数(OI)将NARDS患儿分为轻度组(4mmHg≤OI<8mmHg, 25例)、中度组(8mmHg≤OI<16mmHg, 44例)和重度组(OI≥16mmHg, 21例),另选择60例健康新生儿为对照组。入组当日检测NARDS患儿血清ATX、HO-1水平,入院12h内完成SNAPPE-Ⅱ评分,统计患儿入住新生儿重症监护室(NICU)出院时的生存情况,将NARDS患儿分为生存组(n=71)和死亡组(n=19)。采用单因素和多因素Logistic回归分析影响NARDS患儿预后的因素,受试者工作特征(ROC)曲线分析ATX、HO-1联合SNAPPE-Ⅱ评分预测NARDS患儿预后的价值。结果 NARDS组血清ATX水平,SNAPPE-Ⅱ评分高于对照组,HO-1水平低于对照组(P<0.05)。重度组血清ATX水平,SNAPPE-Ⅱ评分高于中度组和轻度组,HO-1水平低于中度组和轻度组(P<0.05)。多因素Logistic回归分析结果显示,伴脓毒症、高ATX、高SNAPPE-Ⅱ评分是NARDS患儿死亡的危险因素(P<0.05),大胎龄、高出生5min Apgar评分和高HO-1水平是其保护因素(P<0.05)。ATX、HO-1、SNAPPE-Ⅱ评分预测NARDS患儿死亡的曲线下面积为0.699、0.688、0.766,灵敏度为73.68%、68.42%、78.95%,特异度为70.42%、71.83%、74.65%;联合ATX、HO-1和SNAPPE-Ⅱ评分预测NARDS患儿死亡的曲线下面积为0.903,灵敏度为94.74%,特异度为69.01%。结论 NARDS患儿血清ATX水平和SNAPPE-Ⅱ评分显著升高,HO-1水平下降,且与病情加重以及预后不良有关,血清ATX、HO-1联合SNAPPE-Ⅱ评分有助于评估NARDS患儿预后不良风险。

关键词：新生儿急性呼吸窘迫综合征自分泌运动因子血红素加氧酶-1 新生儿急性生理学评分围产期补充Ⅱ 病情分级预后

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Surface composition dominates the electrocatalytic reduction of CO2 on ultrafine CuPd nanoalloys

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Carbon Energy 2020年第3期2卷 443-451页

作者： Dong Chen Yanlei Wang Danye Liu Hui Liu Cheng Qian hongyan he Jun Yang State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijingChina Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijingChina

Preciously tuning the surface composition of noble metal nanoparticles with the particle size of only 2 nm or less by alloying with other metals represents a powerful strategy to boost their electrocatalytic ***,the synthesis of ultrafine nanoalloys and tuning their surface composition remain *** this report,ultrafine CuPd nanoalloys with the particle size of ca.2 nm are synthesized based on the galvanic replacement reaction between presynthesized Cu nanoparticles and Pd2+precursors,and the tuning of their surface compositions is also achieved by changing the atom ratios of Cu/*** the electrocatalytic reduction of CO2,Cu5Pd5 nanoalloys show the CO Faradaic efficiency(FE)of 88%at−0.87 V,and the corresponding mass activity reaches 56 A/g that is much higher than those of Cu8Pd2 nanoalloys,Cu3Pd7 nanoalloys and most of previously reported *** functional theory uncovers that with the increase of Pd on the surface of the ultrafine CuPd nanoalloys,the adsorbed energy of both of intermediate COOH*and CO*to the Pd sites is *** Cu5Pd5 nanoalloys with the optimal surface composition better balance the adsorption of COOH*and desorption of CO*,achieving the highest selectivity and *** difficult liberation of absorbed CO*on the surface of Cu3Pd7 nanoalloys provides carbon source to favor the production of ethylene,endowing the Cu3Pd7 nanoalloys with the highest selectivity for ethylene among these ultrafine CuPd nanoalloys.

关键词： CO2 reduction CuPd nanoalloys density functional theory Faradaic efficiency noble metal nanoparticles

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术前NLR、IL-35及MTA2与前列腺癌患者术后复发及转移的相关性

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国际老年医学杂志 2024年第5期45卷 571-575页

作者：安宁程佳琪何宏艳程晓露赵增喜河北北方学院附属第二医院泌尿外科张家口075100 河北北方学院附属第二医院手术室张家口075100

目的探讨术前中性粒细胞与淋巴细胞比值(NLR)、白细胞介素-35(IL-35)及转移相关蛋白2(MTA2)对前列腺癌患者术后复发及转移的预测价值。方法选取2019年6月-2022年6月在河北北方学院附属第二医院接受手术治疗的160例老年前列腺癌患者作为... 详细信息

目的探讨术前中性粒细胞与淋巴细胞比值(NLR)、白细胞介素-35(IL-35)及转移相关蛋白2(MTA2)对前列腺癌患者术后复发及转移的预测价值。方法选取2019年6月-2022年6月在河北北方学院附属第二医院接受手术治疗的160例老年前列腺癌患者作为研究对象,根据术后有无复发或转移分为发生组(68例)和未发生组(92例)。比较两组一般资料,采用logistic回归分析NLR、IL-35、MTA2与前列腺癌患者术后复发及转移风险的相关性,ROC曲线评估各指标对前列腺癌患者术后复发及转移风险的预测价值。结果两组TNM分级、Gleason评分,NLR、IL-35及MTA2比较,差异均有统计学意义(P<0.05)。Logistic回归分析显示,在校正多个混杂因素后,NLR、IL-35水平及MTA2评分均是前列腺癌患者术后复发及转移发生的独立危险因素(P<0.05)。ROC曲线显示,NLR、IL-35水平及MTA2评分对前列腺癌患者术后复发及转移具有一定的预测价值。结论NLR、IL-35水平及MTA2评分对前列腺癌术后发生复发及转移具有一定的预测价值,对早期前列腺癌术后复发及转移的高危患者的判断和改进患者预后具有重要的临床价值。

关键词：中性粒细胞与淋巴细胞比值白细胞介素-35 转移相关蛋白2 前列腺癌

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