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CD Spectroscopic Study on the molecular recognition of Chiral Salen-Metal Complexes

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Chinese Journal of Chemistry 2003年第7期21卷 751-755页

作者：刘涛阮文娟南晶朱志昂 Department of Chemistry Nankai University Tianjin 300071 China

The molecular recognition behavior of the chiral salen-metalcomplexes towards guest molecules, such as imidazole deriva-tives and amino-acid ester, was systematically investigated bymeans of circular dichroism (CD) spectra. The coordinationnumbers of the host-guest complexes as well as the recognitioncapability of the salen-metal complexes were explained by char-acter and intensity analyses of the CD spectra.

关键词： chiral salen complex circular dichroism spectrum molecular recognition

Effect of Coordinate Bond in molecular recognition of Enrofloxacin with Imprinted Polymers

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复旦学报（自然科学版） 2007年第5期46卷 803-804页

作者： Recilas-mota J Jesús Gracia-mora Jesús Bernad-bernad Josefa Department of Inorganic Chemistry National Autonomous of Mexico University México City Department of Inorganic Chemistry National Autonomous of Mexico University México City04510.México Department of Pharmacy National Autonomous of México UniversityMéxico City04510México

1 Results molecular imprinting is a technique for the preparation of functional materials with molecular recognition properties.molecular imprinted polymers (MIPs) have become an increasingly active field of study for the construction of new material capable of molecular recognition.In general,MIPs are synthesized by polymerization of cross-linking complexes of template molecules and functional monomers.After removing the template molecules from de polymers,binding sites are formed by functional monomer...

关键词： imprinted polymers coordinated bond molecular recognition

Study on Mimetic Peroxidase and molecular recognition of Phenols With Inclusion Complex of Ironporphyrin Immobilized by β-CD Polymer

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Wuhan University Journal of Natural Sciences 2000年第1期5卷 101-105页

作者： MAO Lu-yuan YUAN Hong CAI Ru-xiu SHEN Han-xi ZHU Min LIU Liu-zhan ( College of Chemistry and Environmental Scicence, Wuhan University, Wuhan 430072, China College of Chemistry, Nankai University, Tianjin 300071, China) College of Chemistry and Environmental Scicence Wuhan University Wuhan 430072 China College of Chemistry Nankai University Tianjin 300071 China

β-Cyclodextrin (β-CD) and its cross-linked polymer (β-CDP) were known as the mimetic models. Metalloporphyrin had been widely used in the enzymatic method of analysis and molecular recognition. In present work, it was investigation that supramolecular recognition for halogenated phenols, three crosols, three nitrophenols and three aminophenols, served respectively as the substrate of the mimetic receptor, iron-5, 10, 15, 20-tetrakis (sulforphenyl)-21H, 23H-porphine (FeTPPS) or FeTPPS-β-CDP. Supramolecular complex, FeTPPS-β-CDP with function of mult i-recognition and induced-fit, was a advanced kind of mimetic peroxidase; Methyl phenol or polyphenol was the substitute of chlorophenic acid, while aminophenols and other phenols were suggested not to be utilized to enzymatic assay of H2O2. Being a mimetic enzyme mimicking the space structure of overall proteinase, beaimed by immobilized mimetic enzyme with a large number of β-CD interior cavities, chlorophenol was identified optimal substrate in the system tested.

关键词： β CD polymer metalloporphyrin mimetic enzyme molecular recognition CLC number O 567. 3 O 477

molecular recognition by hydrogen bonding:Structural versatility of eight transition metal complexes based on M(Ⅱ)(2,2'-biimidazole)building blocks and co-ligands

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Molecular recognition by hydrogen bonding:Structural versati...

Engineering and Application of Pillar[6]arene Functionalized Chiral Surface in Selective Adsorption of R-Adrenaline

全国第十七届大环化学暨第九届超分子化学学术研讨会

作者： Xiao-Nan Xue Qi-Ming Qiu Qiong-Hua Jin Yuan Yuan Department of Chemistry Capital Normal University

Reaction of transition metal(Ⅱ)nitrate with 2,2’-biimidazole(Hbiim)and co-ligands formed a series of new complexes,[Co(Hbiim)][Co(Hbiim)(phen)](NO)·2CHOH·HO(1),[Ni(Hbiim)][Ni(Hbiim)(phen)](NO)·3.5HO(2),[Zn(Hbiim)... 详细信息

关键词： transition metal molecular recognition supramolecular network

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Chinese Journal of Chemistry 2022年第8期40卷 925-930页

作者： Ming Cheng Wen Gong Mingxiang Lu Junkai Ma Zhiyan Lu Haibing Li Hubei Key Laboratory of Wudang Local Chinese Medicine Research Department of ChemistrySchool of PharmacyHubei University of MedicineShiyanHubei 442000China Department of Forensic Medicine Zhongnan Hospital of Wuhan UniversityNo.169 East Lake RoadWuchang DistrictWuhanHubei 430071China Key Laboratory of Pesticide and Chemical Biology(CCNU) Ministry of EducationCollege of ChemistryCentral China Normal UniversityWuhanHubei 430079China Department of Cardiology The Third People's Hospital of Hubei Province Hospital of Hubei ProvinceWuhanHubei 430030China

Chiral properties of biological surface is of importance as they dominate interactions with biomolecules(such as proteins,nucleic acids,hormones)in a living system.Inspired by this phenomenon,we designed and constructed a L-/D-N-acetyl-cysteine-pillar[6]arene functionalized Si surface(L-/D-NACP surface)for studying the influence of superficial chirality on selective adsorption of R-adrenaline.The fabricated chiral L-/D-NACP surface with consistency in hydrophilia and elementary composition exhibited a strong mirror-symmetric circular dichroism signal.In the adsorption study,the contact-angle of R-adrenaline droplet on D-NACP surface was more hydrophilic from macroscopical view,and the size and quantity of R-adrenaline aggregation on D-NACP surface was larger than L-NACP surface,implying selective adsorption of R-adrenaline appeared on the D-NACP surface.The possible mechanism was due to the stronger host-guest interaction between D-NACP and R-adrenaline,which facilitated the selective adsorption.Besides,the D-NACP surface with good selectivity can be used for chiral separation of racemic adrenaline.The results enhance the under-standing of hormones adsorption affected by surface chirality,and may provide some helpful inspiration for practical application of chiral surface.

关键词： R-Adrenaline Pillararene Chiral surface molecular recognition Host-guest systems

Is tumor cell specificity distinct from tumor selectivity in vivo?A quantitative NIR molecular imaging analysis of nanoliposome targeting

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Nano Research 2021年第5期14卷 1344-1354页

作者： Girgis Obaid Kimberley Samkoe Kenneth Tichauer Shazia Bano Yeonjae Park Zachary Silber Sassan Hodge Susan Callaghan Mina Guirguis Srivalleesha Mallidi Brian Pogue Tayyaba Hasan Wellman Center for Photomedicine Massachusetts General Hospital and Harvard Medical SchoolBostonMA02114USA Department of Bioengineering University of Texas at DallasRichardsonTX75080USA Thayer School of Engineering Dartmouth CollegeHanoverNH037551USA Armour College of Engineering Illinois Institute of TechnologyChicagoIL60616USA Division of Health Sciences and Technology Harvard University and Massachusetts Institute of TechnologyCambridgeMA02139USA

The significance and ability for receptor targeted nanoliposomes(tNLs)to bind to their molecular targets in solid tumors in vivo has been questioned,particularly as the efficiency of their tumor accumulation and selectivity is not always predictive of their efficacy or molecular specificity.This study presents,for the first time,in situ near-infrared(NIR)molecular imaging-based quantitation of the in vivo specificity of tNLs for their target receptors,as opposed to tumor selectivity,which includes influences of enhanced tumor permeability and retention.Results show that neither tumor delivery nor selectivity(tumor-to-normal ratio)of cetuximab and IRDye conjugated tNLs correlate with epidermal growth factor receptor(EGFR)expression in U251,U87,and 9L tumors,and in fact underrepresent their imaging-derived molecular specificity by up to 94.2%.Conversely,their in vivo specificity,which we quantify as the concentration of tNL-reported tumor EGFR provided by NIR molecular imaging,correlates positively with EGFR expression levels in vitro and ex vivo(Pearson’s r=0.92 and 0.96,respectively).This study provides a unique opportunity to address the problematic disconnect between tNL synthesis and in vivo specificity.The findings encourage their continued adoption as platforms for precision medicine,and facilitates intelligent synthesis and patient customization in order to improve safety profiles and therapeutic outcomes.

关键词： molecular recognition receptors nanoparticles specificity cancer

Cucurbit[n]urils(n=7,8)can strongly bind neutral hydrophilic molecules in water

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Science China Chemistry 2022年第9期65卷 1733-1740页

作者： Ming-Shuang Li Mao Quan Xi-Ran Yang Wei Jiang School of Chemistry and Chemical Engineering Harbin Institute of TechnologyHarbin 150001China Shenzhen Grubbs Institute Guangdong Provincial Key Laboratory of CatalysisDepartment of ChemistrySouthern University of Science and TechnologyShenzhen 518055China

It is challenging to recognize neutral hydrophilic molecules in water.Effective use of hydrogen bonds in water is generally accepted to be the key to success.In contrast,hydrophobic cavity is usually considered to play an insignificant role or only to provide a nonpolar microenvironment for hydrogen bonds.Herein,we report that hydrophobic cavity alone can also strongly bind neutral,highly hydrophilic molecules in water.We found that cucurbit[n]urils(n=7,8)bind 1,4-dioxane,crown ethers and monosaccharides in water with remarkable affinities.The best binding constant reaches 10^(7) M^(−1) for cucurbit[8]uril,which is higher than its binding affinities to common organic cations.Density functional theory(DFT)calculations and control experiments reveal that the hydrophobic effect is the major contributor to the binding through releasing the cavity water and/or properly occupying the weakly hydrated cavity.However,hydrophobic cavity still prefers nonpolar guests over polar guests with similar size and shape.

关键词： molecular recognition the hydrophobic effect hydrophilic molecules cucurbit[n]uril naphthotube

Axially Chiral Dodecanuclear Lanthanide Clusters Constructed by“Bottom-Up” Self-assembly for Enantioselective Sensing

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Chinese Journal of Chemistry 2022年第10期40卷 1165-1170页

作者： Honglei Zhao Dongxu Cui Junning Kou Haijuan Gao Guanghui Yu Chunyi Sun Xinlong Wang Zhongmin Su Key Laboratory of Polyoxometalate Science of Ministry of Education Northeast Normal UniversityChangchunJilin 130024China

Via the bottom-up synthetic strategy,we synthesized a pair of dodecanuclear metal clusters of Eu_(12)(C_(2)O_(4))_(9)(R/S-BNP)_(18)(EtOH)_(6)-(H_(2)0)_(6)·8EtOH-7H_(2)0(complex 2),which represent the largest axial chiral lanthanide metal clusters.In the structure,rare four-pointed star coordination mode of oxalic acid is reported by this work.In addition,as a fluorescence sensor,the complex 2 exhibits high enantioselectivity for R-/S-BINOL-TF_(2)(EF=2.87)and other chiral binaphthyl derivatives.

关键词： Axial chirality Cluster compounds molecular recognition Self-assembly Host-guest systems

State-of-the-art and recent progress in resorcinarene-based cavitand

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Chinese Chemical Letters 2023年第10期34卷 27-34页

作者： Kaiya Wang Qian Liu Li Zhou Hao Sun Xiaoquan Yao Xiao-Yu Hu College of Materials Science and Technology Nanjing University of Aeronautics and AstronauticsNanjing 211106China

Compartmentalization in the biological world brings excellent efficiency and specificity to the formation of complex compounds,inspiring supramolecular chemists to continuously search for defined spaces that can mimic such natural binding sites.Bowl-shaped cavitands built up from resorcinarenes(RA)present rigid and preorganized concave surfaces,which are capable of mimicking the molecular recognition properties of enzymes.The versatile scaffold of RA endows the cavitand with terrific variety and excellent binding behavior.This review provides a comprehensive overview over the structural modification to date in the high attention field of RA-based cavitands development.Different strategies for synthesizing diverse cavitands,such as small cavity cavitands,wider cavity cavitands,deep cavity cavitands,biscavitands,and asymmetric cavitands,are discussed in details.Furthermore,insights into their applications including catalysis,separations and sensing are provided.

关键词： Resorcinarene Cavitand Supramolecular chemistry Host-guest chemistry molecular recognition