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Structural properties of hydroxyl-substituted alkyl benzenesulfonates at the water/vapor and water/decane interfaces

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Science China Chemistry 2011年第7期54卷 1078-1085页

作者： SUN HuanQuan xiao hongyan LIU XinHou Institute of Geological Science Shengli Oilfield Ltd. Co. Dongying 257015 China Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and Chemistry Chinese Academy of Sciences Beijing 100190 China

Molecular dynamics simulations have been performed to investigate the structural properties of hydroxyl-substituted alkyl benzenesulfonate monolayers formed at the water/vapor and water/decane *** report a detailed study of the interfacial properties-liquid density profile,hydrogen bond structure,surfactant aggregate structure and order parameter-of the novel anionic surfactant,sodium 2-hydroxy-3-decyl-5-octylbenzenesulfonate(C10C8OHphSO3Na).Simulation results show that:with increasing number of surfactant molecules,the average number of intramolecular hydrogen bonds per surfactant molecule in the monolayer decreases,but the structures forming the intramolecular hydrogen bonds still play a dominant role;the hydrophobic part of the alkyl tail chain,especially the decyl substituent on the third carbon atom in the benzene ring,becomes straighter,and more ordered towards the external interface at higher surfactant coverage;two-dimensional radial distribution functions can describe the characteristic of surfactant aggregate structures and highlight the decane phase effect on the orientation of the hydrophobic part of the surfactant;the surfactant molecules readily form long-range hydrogen bonded *** results are an important complement to experimental *** used the all-atom model by employing the GROMACS and ffAMBER programs in the simulations,which provides a new way to simulate the interfacial behavior of alkyl benzenesulfonate surfactants.

关键词： molecular dynamics hydroxyl-substituted alkyl benzenesulfonates hydrogen bond radial distribution function order parameter

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Chloride anion-induced dimer capsule based on a polyfluorinated macrocycle meta-WreathArene

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Chinese Chemical Letters 2023年第7期34卷 137-140页

作者： Shu Niu hongyan xiao xiao-Di Yang Huan Cong Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistrySchool of Future Technology.University of Chinese Academy of SciencesChinese Academy of SciencesBeijing 100190China Key Laboratory of Bio-inspired Materials and Interfacial Science Technical Institute of Physics and ChemistryChinese Academy of SciencesBejing 100190 China Research Center of Chiral Drugs Innovation Research Institute of Traditional Chinese MedicineShanghai University of Traditional Chinese MedicineShanghai 200438China

[1_n]metacyclophanes are a class of important building blocks for supramolecular assembly of artificial capsules. Herein we present the preparation and properties of a novel polyfluorinated macrocycle metaWreath Arene, a C_(2)-symmetrical [14]metacyclophane. Adopting a cone conformation in acetone solution,the macrocycle can form dimer capsules through hydrogen bonds induced by chloride anions. Each dimer capsule consists of two meta-Wreath Arene and two chloride anions, and has been unambiguously characterized both in solution and in solid state.

关键词： Macrocycle Metacyclophane Anion Assembly Capsule

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Investigation on the intrinsic wetting thresholds of liquids by measuring the interaction forces of self-assembled monolayers

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Nano Research 2022年第5期15卷 4344-4349页

作者： Yulong Li Shaofan He Zhe Xu Zhonglong Luo hongyan xiao Ye Tian Lei Jiang Key Laboratory of Bio-inspired Materials and Interfacial Science Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing 100190China School of Future Technology University of Chinese Academy of SciencesBeijing 100049China School of Chemistry and Environment Beihang UniversityBeijing 100191China School of Mechanical Engineering Anhui University of TechnologyMa’anshan 243032China Ji Hua Laboratory Foshan 528000China

90°is the limitation oflyophilicity and lyophobicity for ideal surface for centuries,but it has been proved to be contradictory on some *** symmetrical surfaces with different surface tensions can attract or repel each other in ***,at the molecular level,the Iyophilicity or lyophobicity is the results of interactions between the liquids and ***,using atomic force microscope(AFM)to measure interaction forces between symmetrical self-assembled monolayers(SAMs)in different liquids,we found that the SAMs repel each other when the surfaces are hydrophilic whereas attract when hydrophobic in *** contact angle corresponding to the transition of attraction to repulsion is approximate to 65°,defined as the intrinsic wetting threshold(IWT)of *** ethylene glycol(EG),dimethyl sulfoxide(DMSO),N,N-dimethyl formamide(DMF),the IWTs could be determined by changes of adhesion forces between *** research redefined the IWTs for liquids,which is the essential guide to both basic theory and applications of wettability.

关键词： wettability intrinsic wetting threshold force curve adhesion force hydrogen bond

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The ex vivo Microenviroments in MLTC of Poorly Immunogenic Tumor Cells Facilitate Polarization of CD4^+CD25^+ Regulatory T Cells

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Cellular & Molecular Immunology 2006年第2期3卷 123-129页

作者： Yan Wang Le Zhou hongyan Wang Juxiang xiao Lusheng Si Yili Wang The Key Laboratory of Biomedical Information Engineering of Ministry of Education Institute for Cancer Research at Medical Campus School of Life Science and Technology Xi＇an Jiaotong University Xi＇an 710061 China

CD4^＋CD25^＋ regulatory T （TR） cells play an important role in maintaining a balanced peripheral immune system. Recent studies have shown that TR cells may also play a key role in suppressing anti-tumor immune response. In order to investigate the tumor immune microenvironment and its influence on TR polarization, poorly immunogenic tumor cell line Ds （C57BL/6, H-2^b）, immunogenic tumor cell lines FBL3 （C57BL/6, H-2^b） and H22 BALB/c, H-2^d） were used to establish the syngeneic/allogeneic, poorly immunogenic/immunogenic mixed lymphocytes-tumor cell culture （MLTC）. Our results revealed that the proportion of CD4^＋CD25^＋ T cells in MLTC of syngeneic primed splenocytes stimulated with D5 tumor cells was higher than that with H22 cells （0.43% vs 0.044%, and the similar results appeared in allogeneic splenocytes stimulated with D5 tumor cells （0.39% vs 0.04%）. The splenocytes stimulated with supernatant from syngeneic MLTC of D5 tumor cells demonstrated higher proportion of CD4^＋CD25^＋ cells than that from allogeneic MLTC of D5 tumor cells, and the splenocytes stimulated with supernatant from syngeneic or allogeneic MLTC of H22 tumor cells generated lower proportion of CD4^＋CD25^＋ T cells than that of D5 tumor cells. The TGF-β1 and Th2-oriented cytokines （IL-4 and IL-10） were dominated in supernatants of syngeneic MLTC of poorly immunogenic tumor cells. Our results provided useful information for studying the mechanisms underlying tumor immune surveillance as well as for the tumor immunotherapy.

关键词： immunogenic tumor immunoescape TR cell

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Adsorption of polyhaloalkane vapors by adaptive macrocycle crystals of Wreath Arene through C-halogen…π interactions

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Chinese Chemical Letters 2022年第4期33卷 1970-1974页

作者： Shu Niu Liang-Liang Mao hongyan xiao Yongye Zhao Chen-Ho Tung Li-Zhu Wu Huan Cong Key Laboratory of Photochemical Conversion and Optoelectronic Materials Key Laboratory of Bio-inspired Materials and Interfacial ScienceTechnical Institute of Physics and ChemistryChinese Academy of SciencesSchool of Future TechnologyUniversity of Chinese Academy of SciencesBeijing 100190China

Polyhaloalkanes are broadly useful yet environmentally harmful stock chemicals,therefore the development of adsorbent materials with capacity and selectivity for polyhaloalkane vapors is highly *** we report a novel macrocycle WreathArene,a fluorinated C;-symmetrical [1;]-*** the crysalline state,WreathArene features guest-adaptive polymorphism for polyhaloalkanes including chloroform,tribromomethane,1,1,2-trichloroethane,and 1,***-covalent C-halogen…πinteractions are observed in all of these host-guest *** on these properties,the activated WreathArene crystals can be utilized as a selective and recyclable adsorbent for polyhaloalkane vapors with excellent capacity under user-friendly conditions.

关键词： Macrocycle Paracyclophane Halogen…π Polyhaloalkane Adsorption

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Exploring the significance of literary works in improving the mental health of college students

Education and Teaching Research

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Education and Teaching Research 2024年第4期2卷 6-8页

作者： xiao hongyan University of the Visavas 6000Philippines

To improve the mental health level of college students,the method of reading literary works is *** from the role of literary works in the mental health of college students,this article explores the matching degree,application techniques,and detection methods between literary works and college students’mental *** the same time,it points out the aspects that need attention and hopes to play a certain role in improving college students’mental health.

关键词： Literary works college student mental health

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Visible-light-driven photocatalytic degradation of rhodamine B using Bi_(2)WO_(6)/GO deposited on polyethylene terephthalate fabric

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Journal of Leather Science and Engineering 2020年第1期2卷 175-184页

作者： Zoufei Du Ce Cui Sihang Zhang hongyan xiao Erhui Ren Ronghui Guo Shouxiang Jiang State Key Laboratory of Polymer Materials Engineering of China(Sichuan University) Polymer Research Institute of Sichuan UniversityChengdu 610065China College of Biomass Science and Engineering Sichuan UniversityNo.24 South Section 1Yihuan RoadChengduChina Institute of Textiles and Clothing The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina

The environmental repercussions of wastewater from the dye process mean that it is very important to obtain an eco-friendly photocatalyst that would degrade ***,bismuth tungstate/graphene oxide(Bi_(2)WO_(6)/GO)composites are fabricated through in-situ hydrothermal reaction and then the Bi_(2)WO_(6)/GO photocatalysts are deposited onto polyethylene terephthalate(PET)*** obtained Bi_(2)WO_(6)/GO deposited PET fabrics are then characterized through XPS,Raman,SEM,TEM,XRD,UV-vis,BET method and photoluminescence spectroscopy(PL)to investigate their chemical and crystal structures,morphology,optical property,surface area and photochemical *** performance is studied through examining the rate of degrading rhodamine B(RhB)under visible *** of PET fibers is densely covered with Bi_(2)WO_(6)/***_(2)WO_(6)/GO deposited PET fabrics show a broad absorption band in the visible *** rate of RhB on the Bi_(2)WO_(6)/GO deposited PET fabric is the highest with the GO content of 2 g/L(labeled as Bi_(2)WO_(6)/2 g/LGO).The result of active species experiment shows that superoxide radicals(·O_(2)^(−))plays a major role in the degradation of ***,Bi_(2)WO_(6)/2 g/LGO deposited PET fabric shows excellent cycle stability of photocatalytic degradation for *** findings in this work can be extended to preparation other types of composite on the textile for photocatalysis,which can be applied to remove dyes in the wastewater produced by the textile or leather industry.

关键词： Bi_(2)WO_(6)/GO depositing RhB PET fabric Photocatalytic performance Visible light-driven

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Physical Changes Trends and Urban-Rural Comparative Research of Han Children Aged 7 in Hunan

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International English Education Research 2015年第2期 26-29页

作者： Yufeng Guo hongyan Zhou Mingdong xiao School of Physical Education Hunan University of Arts and Science Changde Hunan China 415000

The physical health has become a hot topic in today＇s society, in order to understand the physical health status quo of Hunan Han schoolchildren to collect 1985 -2010 six national student physical research data, select Hunan Province Han schoolchildren in seven years （school age） and rural men and women a total of four set of data （1985 to 1995 due to the minimum age of 7 years old monitor, so the index is also unified in 2000 after seven years of age selected set of data）, performed with SPSSI8.0 Comparative Analysis of physique changing trends and urban and rural areas. The results show that： the physical development of children reach school age Hunan Province Han good, but the boys of height, weight and chest are still differences between urban and rural areas; respiratory function developmental level decreased to varying degrees, both urban and rural areas need strengthening exercise to improve respiratory function. Speed, endurance, power and strength endurance, strength, quality has a different rate of increase quality trends, and most has no specific differences between urban and rural areas; Felicity decline, but rural girls group performance has increased, shortening the urban and rural areas gap. Due to substantial improvements in the living conditions of rural, urban and rural differences have been gradually reduced, but from learning, family, social pressure, and the lack of good exercise habits, sports teachers and other reasons that students can not ensure adequate exercise time, which affects the Han physical level students in Hunan province, hoping to enter primary school-age children start, the implementation of the ＂National Student Physical Health Standard＂ and strive to ensure that physical education and physical exercise, strengthening and improving school sports to promote quality education, comprehensively enhance physical fitness of students in Hunan province.

关键词： Hunan Province Han 7-Year-Olds Physique Urban-Rural Comparison

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Theoretical Insight into the Wavelength-Dependent Photodissociation Mechanism of Nitric Acid

Theoretical Insight into the Wavelength-Dependent Photodisso...

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中国化学会第30届学术年会-第十八分会：电子结构理论方法的发展与应用

作者： hongyan xiao Satoshi Maeda Keiji Morokuma Technical Institute of Physics and Chemistry Chinese Academy of Sciences Department of Chemistry Faculty of Science Hokkaido University

Nitric acid(HNO)molecule plays animportant role in atmospheric *** on the irradiation wavelength,the photodissociation of HNO has rich photochemical decay *** experiments,pathway 1to give OH(XΠ)+NO(XA)products is an exclusive dissociation channel at the 308 nm;pathway 2 to dissociate OH(XΠ)+NO(1B)is dominant at the 248 nm;pathway 3 to produce O(D)+HONO is open at the 222 nm and becomes primary at the 204 and *** the experiments suggested that the dissociation into O(D)take place on the third excited singlet state(S).HNO+hv→OH(XΠ)+NO(XA)△H°=200kJ/mol(1)→OH(XΠ)+NO(1B)△H°=315kJ/mol(2)→O(D)+HONO(XA’)△H°=490kJ/mol(3)→O(P)+HONO(aA〃)△H°=550kJ/mol(4)→O(P)+HONO(XA’)△H°=300kJ/mol(5)However,till now there is no clear the oretical explanation on HNO ***,we undertook a systematic study on the photodissociation mechanism of HNO at the MS-CASPT2 level using the global reaction route mapping *** results indicated that fission OH(XΠ)+NO(XA)is aprimary pathway on the first exited singlet state(S)potential energy surface(PES)above 308 nm photon energy;elimination OH(XΠ)+NO(1B)is a dominant pathway on the second excited single state(S)PES above 248 nm photon energy;elimination O(D)+HONO is open at 222nm,and becomes predominant upon photoexcitation above204 nm photon energy on the S state;elimination OH(XΠ)+NO(1B)also is yet a dominant pathway on the SPES.

关键词： excited states conical intersection photodissociation MS-CASPT2 nitric acid

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Excited-state Roaming Dynamics in Photolysis of NO3 and CH3NH2

Excited-state Roaming Dynamics in Photolysis of NO3 and CH3N...

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中国化学会第十二届全国量子化学会议

作者： hongyan xiao Satoshi Maeda Keiji Morokuma Technical Institute of Physics and Chemistry Chinese Academy of Sciences Department of Chemistry Faculty of ScienceHokkaido University Fukui Institute for Fundamental Chemistry Kyoto University Cherry L.Emerson Center for Scientific Computation and Department of Chemistry Emory University

Transition state theory is one of the most fundamental theories of chemical reaction dynamics,which plays a very important role in understanding chemical reaction ***,in 2004,the study of H2CO photodissociation discovered a new mechanism,named"roaming"mechanism[1],which is different from the conventional transition state *** this discovery it has aroused widespread concern in both experiment and *** roaming pathway was usually found to take place on the ground state until NO3photodissociation into NO+O2 was reported to discover the excited-state roaming mechanism recently[2].The focus of this talk introduces two systems involving excited-state roaming dynamics at the MS-CASPT2 level using the global reaction route mapping *** is NO3→NO+O2,where the direct dissociation on the first excited doublet state(D1)gives the minor vibrationally cold O2,and the indirection dissociation after the nonadiabatic transition to the ground doublet state(D0)produces the major vibrationally hot O2,see Fig.1(A).A series of work[2-5]in combination experimental and theoretical investigation proved that NO3→NO+O2proceeds exclusively by *** other is CH3NH2→CH4+NH(X3Σ-),which involved the intersystem crossing mediated roaming dynamics[6],see Fig.1(B).

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