http://www.mdpi.com/section/molecular_recognition http://www.mdpi.com/1422-0067/11/2/754/ Lipid bilayer fusion is a complex process requiring several intermediate steps. Initially, the two bilayers are brought into close contact following removal of intervening water layers and overcoming electrostatic repulsions between opposing bilayer head groups. In this study we monitor by light scattering the reversible aggregation of phosphatidylcholine single shell vesicles during which adhesion occurs but stops prior to a fusion process. Light scattering measurements of dimyristoyl-sn-glycero-3-phosphocholine (DMPC), dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) in water show that lowering the temperature of about 0.14 micron single shell vesicles of DPPC (from 20 °C to 5 °C) and about 2 micron vesicles of DSPC (from 20 °C to 15 °C), but not of 1 micron vesicles of DMPC, results in extensive aggregation within 24 hours that is reversible by an increase in temperature. Aggregation of DSPC vesicles was confirmed by direct visual observation. Orientation of lipid head groups parallel to the plane of the bilayer and consequent reduction of the negative surface charge can account for the ability of DPPC and DSPC vesicles to aggregate. Retention of negatively charged phosphates on the surface and the burial of positively charged cholines within the bilayer offer an explanation for the failure of DMPC vesicles to aggregate. Lowering the temperature of 1,2-dipalmitoyl-sn-glycero-3-phosphoserine (DPPS) vesicles from 20 °C to 5 °C failed to increase aggregation within 24 hours at Mg++/DPPS ratios that begin to initiate aggregation and fusion. http://www.mdpi.com/1422-0067/11/2/754/ Sun, 21 Feb 2010 00:00:00 CET International Journal of Molecular Sciences 2010-02-21 11 2 Article 754 761 1422-0067 Lipid Vesicle Aggregation Induced by Cooling 2010-02-21 doi: 10.3390/ijms11020754 Frank B. Howard Ira W. Levin http://www.mdpi.com/1422-0067/11/1/288/ We report self-assembly and phase transition behavior of lower diamondoid molecules and their primary derivatives using molecular dynamics (MD) simulation and density functional theory (DFT) calculations. Two lower diamondoids (adamantane and diamantane), three adamantane derivatives (amantadine, memantine and rimantadine) and two artificial molecules (ADM•Na and DIM•Na) are studied separately in 125-molecule simulation systems. We performed DFT calculations to optimize their molecular geometries and obtained atomic electronic charges for the corresponding MD simulation, by which we predicted self-assembly structures and simulation trajectories for the seven different diamondoids and derivatives. Our radial distribution function and structure factor studies showed clear phase transitions and self-assemblies for the seven diamondoids and derivatives. http://www.mdpi.com/1422-0067/11/1/288/ Thu, 21 Jan 2010 00:00:00 CET International Journal of Molecular Sciences 2010-01-21 11 1 Article 288 303 1422-0067 Self-Assembly of Diamondoid Molecules and Derivatives (MD Simulations and DFT Calculations) 2010-01-21 doi: 10.3390/ijms11010288 Yong Xue G. Ali Mansoori http://www.mdpi.com/1422-0067/10/7/2958/ Heterogeneity is a fact that plagues the characterization and application of many self-assembled biological constructs. The importance of obtaining particle homogeneity in biological assemblies is a critical goal, as bulk analysis tools often require identical species for reliable interpretation of the results—indeed, important tools of analysis such as x-ray diffraction typically require over 90% purity for effectiveness. This issue bears particular importance in the case of lipoproteins. Lipid-binding proteins known as apolipoproteins can self assemble with liposomes to form reconstituted high density lipoproteins (rHDLs) or nanolipoprotein particles (NLPs) when used for biotechnology applications such as the solubilization of membrane proteins. Typically, the apolipoprotein and phospholipids reactants are self assembled and even with careful assembly protocols the product often contains heterogeneous particles. In fact, size polydispersity in rHDLs and NLPs published in the literature are frequently observed, which may confound the accurate use of analytical methods. In this article, we demonstrate a procedure for producing a pure, monodisperse NLP subpopulation from a polydisperse self-assembly using size exclusion chromatography (SEC) coupled with high resolution particle imaging by atomic force microscopy (AFM). In addition, NLPs have been shown to self assemble both in the presence and absence of detergents such as cholate, yet the effects of cholate on NLP polydispersity and separation has not been systematically examined. Therefore, we examined the separation properties of NLPs assembled in both the absence and presence of cholate using SEC and native gel electrophoresis. From this analysis, NLPs prepared with and without cholate showed particles with well defined diameters spanning a similar size range. However, cholate was shown to have a dramatic affect on NLP separation by SEC and native gel electrophoresis. Furthermore, under conditions where different sized NLPs were not sufficiently separated or purified by SEC, AFM was used to deconvolute the elution pattern of different sized NLPs. From this analysis we were able to purify an NLP subpopulation to 90% size homogeneity by taking extremely fine elutions from the SEC. With this purity, we generate high quality NLP crystals that were over 100 μm in size with little precipitate, which could not be obtained utilizing the traditional size exclusion techniques. This purification procedure and the methods for validation are broadly applicable to other lipoprotein particles. http://www.mdpi.com/1422-0067/10/7/2958/ Thu, 02 Jul 2009 00:00:00 CEST International Journal of Molecular Sciences 2009-07-02 10 7 Article 2958 2971 1422-0067 Characterization and Purification of Polydisperse Reconstituted Lipoproteins and Nanolipoprotein Particles 2009-07-02 doi: 10.3390/ijms10072958 Craig D. Blanchette Brent W. Segelke Nicholas Fischer Michele H. Corzett Edward A. Kuhn Jenny A. Cappuccio William Henry Benner Matthew A. Coleman Brett A. Chromy Graham Bench Paul D. Hoeprich Todd A. Sulchek http://www.mdpi.com/1422-0067/10/5/2169/ We demonstrate that the temperature-dependent phase behaviors of parallel and perpendicular cylinder-forming block copolymers are governed by domain-domain segregation forces inherently present in block copolymer material itself. With increasing temperature, a parallel cylinder-forming block copolymer experienced a parallel cylinder straightening process before the order-disorder transition (ODT) and did not show long-range composition fluctuations near the ODT temperature due to the weak segregation forces between the block domains. A perpendicular cylinder-forming block copolymer with a strong segregation force between the block domains displayed cylinder orientation transition from perpendicular to parallel below the ODT temperature. On the other hand, a perpendicular cylinder-forming block copolymer material with an exceptionally strong segregation force between the block domains maintained its initial perpendicular cylinder orientation up to near the ODT temperature. In both cases of perpendicular cylinder-forming block copolymers, submicrometer-scale long-range composition fluctuations were observed well above the ODT temperature due to their intrinsically strong segregation forces between the block domains. http://www.mdpi.com/1422-0067/10/5/2169/ Fri, 15 May 2009 00:00:00 CEST International Journal of Molecular Sciences 2009-05-15 10 5 Article 2169 2189 1422-0067 Temperature-Dependent Phase Behaviors in Cylinder-Forming Block Copolymers 2009-05-15 doi: 10.3390/ijms10052169 Dae Up Ahn Erol Sancaktar http://www.mdpi.com/1422-0067/10/5/2136/ Nanofiber scaffolds formed by self-assembling peptide RADA16-I have been used for the study of cell proliferation to mimic an extracellular matrix. In this study, we investigated the effect of RADA16-I on the growth of human leukemia cells in vitro and in nude mice. Self-assembly assessment showed that RADA16-I molecules have excellent self-assembling ability to form stable nanofibers. MTT assay displayed that RADA16-I has no cytotoxicity for leukemia cells and human umbilical vein endothelial cells (HUVECs) in vitro. However, RADA16-I inhibited the growth of K562 tumors in nude mice. Furthermore, we found RADA16-I inhibited vascular tube-formation by HUVECs in vitro. Our data suggested that nanofiber scaffolds formed by RADA16-I could change tumor microenvironments, and inhibit the growth of tumors. The study helps to encourage further design of self-assembling systems for cancer therapy. http://www.mdpi.com/1422-0067/10/5/2136/ Thu, 14 May 2009 00:00:00 CEST International Journal of Molecular Sciences 2009-05-14 10 5 Article 2136 2145 1422-0067 The Effect of Self-Assembling Peptide RADA16-I on the Growth of Human Leukemia Cells in Vitro and in Nude Mice 2009-05-14 doi: 10.3390/ijms10052136 Chengkang Tang Ximing Shao Binbin Sun Wenli Huang Xiaojun Zhao http://www.mdpi.com/1422-0067/10/5/1950/ Fabrication of nano-sized objects is one of the most important issues in nanoscience and nanotechnology. Soft nanomaterials with flexible properties have been given much attention and can be obtained through bottom-up processing from functional molecules, where self-assembly based on supramolecular chemistry and designed assembly have become crucial processes and techniques. Among the various functional molecules, dyes have become important materials in certain areas of nanotechnology and their self-assembling behaviors have been actively researched. In this short review, we briefly introduce recent progress in self-assembly of optical molecules and dyes, based mainly on supramolecular concepts. The introduced examples are classified into four categories: self-assembly of (i) low-molecular-weight dyes and (ii) polymeric dyes and dye self-assembly (iii) in nanoscale architectures and (iv) at surfaces. http://www.mdpi.com/1422-0067/10/5/1950/ Mon, 27 Apr 2009 00:00:00 CEST International Journal of Molecular Sciences 2009-04-27 10 5 Review 1950 1966 1422-0067 Self-Assembly of Optical Molecules with Supramolecular Concepts 2009-04-27 doi: 10.3390/ijms10051950 Ken Okamoto Parayalil Chithra Gary J. Richards Jonathan P. Hill Katsuhiko Ariga http://www.mdpi.com/1422-0067/10/4/1683/ We have investigated the pathway by which unilamellar POPC liposomes upon adsorption undergo rupture and form a supported lipid bilayer (SLB) on a SiO2 surface. Biotinylated lipids were selectively incorporated in the outer monolayer of POPC liposomes to create liposomes with asymmetric lipid compositions in the outer and inner leaflets. The specific binding of neutravidin and anti-biotin to SLBs formed by liposome fusion, prior to and after equilibrated flip-flop between the upper and lower monolayers in the SLB, were then investigated. It was concluded that the lipids in the outer monolayer of the vesicle predominantly end up on the SLB side facing the SiO2 substrate, as demonstrated by having maximum 30-40% of lipids in the liposome outer monolayer orienting towards the bulk after forming the SLB. http://www.mdpi.com/1422-0067/10/4/1683/ Fri, 17 Apr 2009 00:00:00 CEST International Journal of Molecular Sciences 2009-04-17 10 4 Communication 1683 1696 1422-0067 Rupture Pathway of Phosphatidylcholine Liposomes on Silicon Dioxide 2009-04-17 doi: 10.3390/ijms10041683 Erik Reimhult Bengt Kasemo Fredrik Höök http://www.mdpi.com/1422-0067/10/3/1407/ Supported lipid bilayers (SLBs) were prepared by deposition of unilamellar vesicles on a silicon substrate. Atomic force microscopy (AFM) and a new Multiple Transmission-Reflection Infrared Spectroscopy (MTR-IR) developed by us were used to trace the dynamic formation of lipid bilayers on the silicon surfaces. The evolution from deformation of vesicles to formation of bilayers can be distinguished clearly by AFM imaging. MTR-IR provided high quality infrared spectra of ultrathin lipid bilayers with high sensitivity and high signal to noise ratio (SNR). The structural and orientational changes during vesicle’s fusion were monitored with MTR-IR. MTR-IR shows superiority over other infrared approaches for ultrathin films on standard silicon wafers in view of its economy and high sensitivity. Both MTR-IR and AFM results were consistent with each other and they provided more information for understanding the self-assembling procedure of SLBs. http://www.mdpi.com/1422-0067/10/3/1407/ Thu, 26 Mar 2009 00:00:00 CET International Journal of Molecular Sciences 2009-03-26 10 3 Article 1407 1418 1422-0067 AFM and Multiple Transmission-Reflection Infrared Spectroscopy (MTR-IR) Studies on Formation of Air-Stable Supported Lipid Bilayers 2009-03-26 doi: 10.3390/ijms10031407 Peng-Feng Guo Wen-Yi Huang Hong-Bo Liu Shou-Jun Xiao http://www.mdpi.com/1422-0067/10/3/805/ Self-consistent field theory is used to study the self-assembly of a triblock copolymer melt. Two different external factors (temperature and solvent) are shown to affect the self-assembly. Either one or two-step self-assembly can be found as a function of temperature in the case of a neat triblock melt, or as a function of increasing solvent content (for non-selective solvents) in the case of a triblock-solvent mixture. For selective solvents, it is shown that increasing the solvent content leads to more complicated self-assembly mechanisms, including a reversed transition where order is found to increase instead of decreasing as expected, and re-entrant behavior where order is found to increase at first, and then decrease to a previous state of disorder. http://www.mdpi.com/1422-0067/10/3/805/ Fri, 27 Feb 2009 00:00:00 CET International Journal of Molecular Sciences 2009-02-27 10 3 Article 805 816 1422-0067 Ordering and Reverse Ordering Mechanisms of Triblock Copolymers in the Presence of Solvent 2009-02-27 doi: 10.3390/ijms10030805 Panagiotis Maniadis Kim O. Rasmussen Russell B. Thompson Edward M. Kober http://www.mdpi.com/1422-0067/9/12/2333/ A molecularly imprinted polymer (MIP) with dual dopamine/serotonin-like binding sites (DS-MIP) was synthesized for use as a receptor model of study the druginteraction of biological mixed receptors at a molecular level. The polymer material was produced using methacrylic acid (MAA) and acrylamide (ACM) as functional monomers, N,N′-methylene bisacrylamide (MBAA) as cross-linker, methanol/water mixture (4:1, v/v) as porogen and a mixture of dopamine (D) and serotonin (S) as templates. The prepared DS-MIP exhibited the greatest rebinding of the template(s) in aqueous methanol solution with decreased recognition in acetonitrile, water and methanol solvent. The binding affinity and binding capacity of DS-MIP with S were found to be higher than those of DS-MIP with D. The selectivity profiles of DS-MIP suggest that the D binding site of DS-MIP has sufficient integrity to discriminate between species of non-optimal functional group orientation, whilst the S binding site of DS-MIP is less selective toward species having structural features and functional group orientations different from S. The ligand binding activities of a series of ergot derivatives (ergocryptine, ergocornine, ergocristine, ergonovine, agroclavine, pergolide and terguride) have been studied with the DS-MIP using a competitive ligand binding assay protocol. The binding affinities of DSMIP were demonstrated in the micro- or submicro-molar range for a series of ergot derivatives, whereas the binding affinities were considerably greater to natural receptors derived from the rat hypothalamus. The DS-MIP afforded the same pattern of differentiation as the natural receptors, i.e. affinity for the clavines > lysergic acid derivatives > ergopeptines. The results suggest that the discrimination for the ergot derivatives by the dopamine and serotonin sites of DS-MIP is due to the structural features and functional orientation of the phenylethylamine and indolylethylamine entities at the binding sites, and the fidelity of the dopamine and serotonin imprinted cavities. http://www.mdpi.com/1422-0067/9/12/2333/ Wed, 26 Nov 2008 00:00:00 CET International Journal of Molecular Sciences 2008-11-26 9 12 Article 2333 2356 1422-0067 Recognition Properties and Competitive Assays of a Dual Dopamine/Serotonin Selective Molecularly Imprinted Polymer 2008-11-26 doi: 10.3390/ijms9122333 Roongnapa Suedee Vatcharee Seechamnanturakit Acharee Suksuwan Bhutorn Canyuk http://www.mdpi.com/1422-0067/9/2/154/ Acoustic wave biosensors are a real-time, label-free biosensor technology, which have been exploited for the detection of proteins and cells. One of the conventional biosensor approaches involves the immobilization of a monolayer of antibodies onto the surface of the acoustic wave device for the detection of a specific analyte. The method described within includes at least two immobilizations of two different antibodies onto the surfaces of two separate acoustic wave devices for the detection of several analogous analytes. The chemical specificity of the molecular recognition event is achieved by virtue of the extremely high (nM to pM) binding affinity between the antibody and its antigen. In a standard ELISA (Enzyme-Linked ImmunoSorbent Assay) test, there are multiple steps and the end result is a measure of what is bound so tightly that it does not wash away easily. The fact that this “gold standard” is very much not real time, masks the dance that is the molecular recognition event. X-Ray Crystallographer, Ian Wilson, demonstrated more than a decade ago that antibodies undergo conformational change during a binding event[1, 2]. Further, it is known in the arena of immunochemistry that some antibodies exhibit significant cross-reactivity and this is widely termed antibody promiscuity. A third piece of the puzzle that we will exploit in our system of acoustic wave biosensors is the notion of chemical orthogonality. These three biochemical constructs, the dance, antibody promiscuity and chemical orthogonality will be combined in this paper with the notions of Int. J. Mol. Sci. 2008, 9 155 in-phase (I) and quadrature (Q) signals from digital radio to manifest an approach to molecular recognition that allows a level of discrimination and analysis unobtainable without the aggregate. As an example we present experimental data on the detection of TNT, RDX, C4, ammonium nitrate and musk oil from a system of antibody-coated acoustic wave sensors. http://www.mdpi.com/1422-0067/9/2/154/ Fri, 08 Feb 2008 00:00:00 CET International Journal of Molecular Sciences 2008-02-08 9 2 Article 154 168 1422-0067 Analogies Between Digital Radio and Chemical Orthogonality as a Method for Enhanced Analysis of Molecular Recognition Events 2008-02-08 doi: 10.3390/ijms9020154 Peter J. Edmonson William D. Hunt Desmond D. Stubbs Sang-Hun Lee http://www.mdpi.com/1422-0067/9/1/98/ 2-methylphenoxyacetic acid (2-MPA), 2-methyl-4-chlorophenxyacetic acid (MCPA) and 4-chlorophenoxyacetic acid (4-CPA) were imprinted to investigate the cross-selectivities of molecularly imprinted polymers (MIPs). The result indicates that 2-MPA, which is similar in shape, size and functionality with phenoxyacetic herbicides, are suitable to be used as a suitable template to prepare the MIPs for retaining phenoxyacetic herbicides. To study the ion-pair interactions between template molecules and functional monomer 4-vinylpiridine (4-VP), computational molecular modeling was employed. The data indicate that the cross-selectivities of MIPs for phenoxyacetic acid herbicides depend on the binding energies of complexes. http://www.mdpi.com/1422-0067/9/1/98/ Fri, 25 Jan 2008 00:00:00 CET International Journal of Molecular Sciences 2008-01-25 9 1 Article 98 106 1422-0067 Synthesis and Characterization of Molecularly Imprinted Polymers for Phenoxyacetic Acids 2008-01-25 doi: 10.3390/ijms9010098 Huiting Zhang Tao Song Fulin Zong Tiechun Chen Canping Pan http://www.mdpi.com/1422-0067/8/11/1083/ ATP is involved in numerous biochemical reactions in living cells interacting withdifferent proteins. Molecular docking simulations provide considerable insight into theproblem of molecular recognition of this substrate. To improve the selection of correctATP poses among those generated by docking algorithms we propose a post-docking rerankingcriterion. The method is based on detailed analysis of the intermolecularinteractions in 50 high-resolution 3D-structures of ATP-protein complexes. A distinctivenew feature of the proposed method is that the ligand molecule is divided into fragmentsthat differ in their physical properties. The placement of each of them into the bindingsite is judged separately by different criteria, thus avoiding undesirable averaging of thescoring function terms by highlighting those relevant for particular fragments. Thescoring performance of the new criteria was tested with the docking solutions for ATPproteincomplexes and a significant improvement in the selection of correct dockingposes was observed, as compared to the standard scoring function. http://www.mdpi.com/1422-0067/8/11/1083/ Wed, 31 Oct 2007 00:00:00 CET International Journal of Molecular Sciences 2007-10-31 8 11 Article 1083 1094 1422-0067 A Fragment-Based Scoring Function to Re-rank ATP Docking Results 2007-10-31 doi: 10.3390/i8111083 Timothy V. Pyrkov Roman G. Efremov http://www.mdpi.com/1422-0067/8/10/1052/ The unusual self-assembly in chloroform of a novel cyclodextrin-based [2]pseudorotaxane, composed of heptakis-2,6-di-O-methyl-3-O-acetyl-β-cyclodextrin and a viologen-containing linear component, is reported. http://www.mdpi.com/1422-0067/8/10/1052/ Mon, 22 Oct 2007 00:00:00 CEST International Journal of Molecular Sciences 2007-10-22 8 10 Article 1052 1063 1422-0067 Threading Cyclodextrins in Chloroform: A [2]Pseudorotaxane 2007-10-22 doi: 10.3390/i8101052 Giuseppe Gattuso Claudia Gargiulli Melchiorre F. Parisi http://www.mdpi.com/1422-0067/8/8/864/ In biological systems, molecular recognition events occur mostly withininterfacial environments such as at membrane surfaces, enzyme reaction sites, or at theinterior of the DNA double helix. Investigation of molecular recognition at model interfacesprovides great insights into biological phenomena. Molecular recognition at interfaces notonly has relevance to biological systems but is also important for modern applications suchas high sensitivity sensors. Selective binding of guest molecules in solution to hostmolecules located at solid surfaces is crucial for electronic or photonic detection of analytesubstances. In response to these demands, molecular recognition at interfaces has beeninvestigated extensively during the past two decades using Langmuir monolayers, self-assembled monolayers, and lipid assemblies as recognition media. In this review, advancesof molecular recognition at interfaces are briefly summarized. http://www.mdpi.com/1422-0067/8/8/864/ Wed, 22 Aug 2007 00:00:00 CEST International Journal of Molecular Sciences 2007-08-22 8 8 Review 864 883 1422-0067 Developments in Molecular Recognition and Sensing at Interfaces 2007-08-22 doi: 10.3390/i8080864 Katsuhiko Ariga Jonathan P. Hill Hiroshi Endo http://www.mdpi.com/1422-0067/8/7/662/ The host-guest inclusion of various organic solvents within dehydrocholic acid has been studied and the selectivity of enclathration determined by competition experiments. http://www.mdpi.com/1422-0067/8/7/662/ Tue, 10 Jul 2007 00:00:00 CEST International Journal of Molecular Sciences 2007-07-10 8 7 Article 662 669 1422-0067 Inclusion Compounds of Dehydrocholic Acid with Solvents 2007-07-10 doi: 10.3390/i8070662 Marco Fogagnolo Giancarlo Fantin Olga Bortolini http://www.mdpi.com/1422-0067/8/6/513/ A novel fluorescence sensing system for branched-chain amino acids (BCAAs)was developed based on engineered leucine/isoleucine/valine-binding proteins (LIVBPs)conjugated with environmentally sensitive fluorescence probes. LIVBP was cloned fromEscherichia coli and Gln149Cys, Gly227Cys, and Gln254Cys mutants were generated bygenetic engineering. The mutant LIVBPs were then modified with environmentallysensitive fluorophores. Based on the fluorescence intensity change observed upon thebinding of the ligands, the MIANS-conjugated Gln149Cys mutant (Gln149Cys-M) showedthe highest and most sensitive response. The BCAAs Leu, Ile, and Val can each bemonitored at the sub-micromolar level using Gln149Cys-M. Measurements were alsocarried out on a mixture of BCAFAs and revealed that Gln149Cys-M-based measurementis not significantly affected by the change in the molar ratio of Leu, Ile and Val in thesample. Its high sensitivity and group-specific molecular recognition ability make the newsensing system ideally suited for the measurement of BCAAs and the determination of theFischer ratio, an indicator of hepatic disease involving metabolic dysfunction. http://www.mdpi.com/1422-0067/8/6/513/ Wed, 13 Jun 2007 00:00:00 CEST International Journal of Molecular Sciences 2007-06-13 8 6 Article 513 525 1422-0067 Branched-chain Amino Acid Biosensing Using Fluorescent Modified Engineered Leucine/Isoleucine/Valine Binding Protein 2007-06-13 doi: 10.3390/i8060513 Sakura Chino Akane Sakaguchi Rie Yamoto Stefano Ferri Koji Sode http://www.mdpi.com/1422-0067/8/5/445/ The small molecule, meso-tetra(α,α,α,α-o-phenylacetamidophenyl)porphyrin(Mr1147.0) was used as complete antigen to elicit MAb through the immunization and cellfusion techniques.The MAb 1F2 obtained was demonstrated to be very pure byMALDI/TOFMS.The subtype of MAb 1F2 is IgG2a, which has a relative molecular weightof 156,678.8 Da.No significant change in the intensity of absorption peaks in UV and CDspectra was observed over a pH range between 6 and 12.The high stability of the abzymeand the tight binding between Fe porphyrin and antibody were also demonstrated.Vmax, Km,κcat, κcat/Km for abzyme are 5.18 × 10-8 Ms-1, 1.50 × 10-8M , 0.518 s-1, 3.45 × 107 M-1s-1, respectively.The data obtained indicate that catalytic antibody has highcatalytic activity.The chloroperoxidase activity of MAb 1F2-Fe porphyrin complex is stablefrom 10 °C to 60 °C. http://www.mdpi.com/1422-0067/8/5/445/ Tue, 29 May 2007 00:00:00 CEST International Journal of Molecular Sciences 2007-05-29 8 5 Article 445 454 1422-0067 Preparation and Characterization of a Chloroperoxidase-like Catalytic Antibody 2007-05-29 doi: 10.3390/i8050445 Fengyang Wang Xueying Huang Li Du Weiguo Li Hongxuan He Chao Qi http://www.mdpi.com/1422-0067/8/3/241/ 9, 10-bis(3,5-dihydroxyphenyl)anthracene (BDHA) and 2,2′,4,4′-tetrahydroxybenzophenone (THB) are crystallized with bipyridine bases 4,4 ́-bipyridyl(bipy), 1,2-bis(4-pyridyl)ethane (bipy-eta), 1,2-di(4-pyridyl)ethylene (dipy-ete), 1,3-di(4-pyridyl)propane (dipy-pra), 4,4 ́-dipyridyl sulfide (dipy-sul), and 4,4 ́-dipyridyl disulfide(dipy-dis) to afford molecular complexes (BDHA)·(bipy)2 1, (BDHA)·(bipy-eta)2 2,(BDHA)0.5·(dipy-pra)·CH3CH2OH 3, (BDHA)0.5·(dipy-sul)·H2O 4, (BDHA)0.5·(dipy-dis)·CH3CH2OH 5 and (THB)·(dipy-ete)2·H2O 6. The crystal structures of 1–6 have beendetermined by single-crystal X-ray diffraction. All these molecular complexes exhibitpolymeric supramolecular structures via O–H···N or O–H···O hydrogen-bonding. 1 and 2form infinitely rectangular macrocycles linked with one another, whose sizes are ca.12.477 å× 4.802 å and ca.14.575 å × 4.809 å, respectively. 3, 5 and 6 form the one-dimensionalzigzag chain structure. 4 forms a ladder structure, and two dipy-sul molecules were includedin a frame. http://www.mdpi.com/1422-0067/8/3/241/ Fri, 16 Mar 2007 00:00:00 CET International Journal of Molecular Sciences 2007-03-16 8 3 Article 241 258 1422-0067 Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 9, 10-Bis(3,5- dihydroxyphenyl)anthracene and 2,2′,4,4′- Tetrahydroxybenzophenone with Bipyridines 2007-03-16 doi: 10.3390/i8030241 Xiaokang Li Lvyin Zhen Yulan Fan Xiaolin Fan Qingdao Zeng http://www.mdpi.com/1422-0067/8/1/29/ Two supramolecular coordination polymers, [HgI2(L1)·0.5H2O]∞ (1) and[HgI2(L2)·0.4CH3OH]∞ (2), have been prepared by ligands L1 (L1 = bis[4-(4-pyridylmethyleneamino)phenyl] ether) and L2 (L2 = N,N′-bis(3-pyridylmethyl)-diphthalicdiimide) with HgI2, respectively. 1 formed an interestingly infinite cross-linked doublehelical structure, whereas 2 formed the one-dimensional zigzag chains, which are parallelwith each other. http://www.mdpi.com/1422-0067/8/1/29/ Tue, 30 Jan 2007 00:00:00 CET International Journal of Molecular Sciences 2007-01-30 8 1 Article 29 41 1422-0067 Supramolecular Coordination Polymers by Self-assembling of Bis-monodentate Ligands with HgI2 2007-01-30 doi: 10.3390/i8010029 Xiaokang Li Xiaolin Fan Qingdao Zeng