• Title/Summary/Keyword: Stacking interactions

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Electron Transfer to Hydroxylase through Component Interactions in Soluble Methane Monooxygenase

  • Lee, Chaemin;Hwang, Yunha;Kang, Hyun Goo;Lee, Seung Jae
    • Journal of Microbiology and Biotechnology
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    • v.32 no.3
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    • pp.287-293
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    • 2022
  • The hydroxylation of methane (CH4) is crucial to the field of environmental microbiology, owing to the heat capacity of methane, which is much higher than that of carbon dioxide (CO2). Soluble methane monooxygenase (sMMO), a member of the bacterial multicomponent monooxygenase (BMM) superfamily, is essential for the hydroxylation of specific substrates, including hydroxylase (MMOH), regulatory component (MMOB), and reductase (MMOR). The diiron active site positioned in the MMOH α-subunit is reduced through the interaction of MMOR in the catalytic cycle. The electron transfer pathway, however, is not yet fully understood due to the absence of complex structures with reductases. A type II methanotroph, Methylosinus sporium 5, successfully expressed sMMO and hydroxylase, which were purified for the study of the mechanisms. Studies on the MMOH-MMOB interaction have demonstrated that Tyr76 and Trp78 induce hydrophobic interactions through π-π stacking. Structural analysis and sequencing of the ferredoxin domain in MMOR (MMOR-Fd) suggested that Tyr93 and Tyr95 could be key residues for electron transfer. Mutational studies of these residues have shown that the concentrations of flavin adenine dinucleotide (FAD) and iron ions are changed. The measurements of dissociation constants (Kds) between hydroxylase and mutated reductases confirmed that the binding affinities were not significantly changed, although the specific enzyme activities were significantly reduced by MMOR-Y93A. This result shows that Tyr93 could be a crucial residue for the electron transfer route at the interface between hydroxylase and reductase.

Variable Geometry Mixed Flow Turbine for Turbochargers: An Experimental Study

  • Rajoo, Srithar;Martinez-Botas, Ricardo
    • International Journal of Fluid Machinery and Systems
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    • v.1 no.1
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    • pp.155-168
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    • 2008
  • This paper investigates a variable geometry (VG) mixed flow turbine with a novel, purposely designed pivoting nozzle vane ring. The nozzle vane ring was matched to the 3-dimensional aspect of the mixed flow rotor leading edge with lean stacking. It was found that for a nozzle vane ring in a volute, the vane surface pressure is highly affected by the flow in the volute rather than the adjacent vane surface interactions, especially at closer nozzle positions. The performance of the VG mixed flow turbine has been evaluated experimentally in steady and unsteady flow conditions. The VG mixed flow turbine shows higher peak efficiency and swallowing capacity at various vane angle settings compared to an equivalent nozzleless turbine. Comparison with an equivalent straight vane arrangement shows a higher swallowing capacity but similar efficiencies. The VG turbine unsteady performance was found to deviate substantially from the quasi-steady assumption compared to a nozzleless turbine. This is more evident in the higher vane angle settings (smaller nozzle passage), where there are high possibility of choking during a pulse cycle. The presented steady and unsteady results are expected to be beneficial in the design of variable geometry turbochargers, especially the ones with a mixed flow turbine.

Specific Recognition of Unusual DNA Structures by Small Molecules: An Equilibrium Binding Study

  • Suh, Dong-Chul
    • BMB Reports
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    • v.29 no.1
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    • pp.1-10
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    • 1996
  • The binding interaction of ethidium to a series of synthetic deoxyoligonucleotides containing a B-Z junction between left-handed Z-DNA and right-handed B-DNA, was studied. The series of deoxyoligonucleotides was designed so as to vary a dinucleotide step immediately adjacent to a B-Z junction region. Ethidium binds to the right-handed DNA forms and hybrid B-Z forms which contain a B-Z junction, in a highly cooperative manner. In a series of deoxyoligonucleotides, the binding affinity of ethidium with DNA forms which were initially hybrid B-Z forms shows over an order of magnitude higher than that with any other DNA forms, which were entirely in B-form DNA The cooperativity of binding isotherms were described by an allosteric binding model and by a neighbor exclusion model. The binding data were statistically compared for two models. The conformation of allosterically converted DNA forms under binding with ethidium is found to be different from that of the initial B-form DNA as examined by CD spectra. The ratio of the binding constant was interestingly correlated to the free energy of base unstacking and the conformational conversion of the dinucleotide. The more the base stacking of the dinucleotide is unstable, or the harder the conversion of B to A conformation, the higher the ratio of the binding constant of ethidium with the allosterically converted DNA forms and with the initial B-Z hybrid forms. DNA sequence around a B-Z junction region affects the binding affinity of ethidium. The results in this study demonstrate that ethidium could preferentially interact with unusual DNA structures.

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A Two-dimensional Supramolecular Network Built through Unique π-πStacking: Synthesis and Characterization of [Cu(phen)2(μ-ID A)Cu(phen)·(NO3)](NO3)·4(H2O)

  • Lin, Jian-Guo;Qiu, Ling Qiu;Xu, Yan-Yan
    • Bulletin of the Korean Chemical Society
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    • v.30 no.5
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    • pp.1021-1025
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    • 2009
  • A novel supramolecular network containing binuclear copper unit $[Cu(phen)_{2}({\mu}-ID\;A)Cu(phen){\cdot}(NO_{3})](NO_{3}){\cdot}4(H_{2}O)$ (1) was synthesized through the self-assembly of iminodiacetic acid ($H_2IDA$) and 1,10-phenanthroline (phen) in the condition of pH = 6. It has been characterized by the infrared (IR) spectroscopy, elemental analysis, single crystal X-ray diffraction, and thermogravimetric analysis (TGA). 1 shows a 2-D supramolecular structure assembled through strong and unique $\pi-\pi$ packing interactions. Density functional theory (DFT) calculations show that theoretical optimized structures can well reproduce the experimental structure. The TGA and powder X-ray diffraction (PXRD) curves indicate that the complex 1 can maintain the structural integrity even at the loss of free water molecules. The magnetic property is also reported in this paper.

𝛽-Patchoulene: Conversion from Patchouli Alcohol by Acid Catalysts and its In silico Anti-inflammatory Study

  • Firdaus, Firdaus;Soekamto, Nunuk Hariani;Firdausiah, Syadza;Rasyid, Herlina;Rifai, Akhmad
    • Natural Product Sciences
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    • v.27 no.3
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    • pp.208-215
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    • 2021
  • 𝛽-Patchoulene (𝛽-PAE) is a tricyclic sesquiterpene which performed many potential bioactivities and can be found in patchouli oil but in very low concentration. This study aimed to obtained 𝛽-PAE in high concentration by conversion of patchouli alcohol (PA) in patchouli oil under acid catalyzed reaction. Patchouli oil was fractinated by vacuum distillation at 96 kPa to get the fraction with the highest PA content. H2SO4 and ZnCl2 were used respectively as homogeneous and heterogeneous acid catalysts in the conversion reaction of the selected fraction. Patchouli oil, the fractions and the products were analysed by using GC-MS and FTIR instruments. Moreover, the interaction of 𝛽-PAE to COX-2 protein was studied to understand the antiinflammation activity of 𝛽-PAE. The results showed that patchouli oil contains 25.3% of PA. The selected fraction which has the highest PA content (70.3%) was distilled at 151 - 152 ℃. The application of ZnCl2 catalyst in conversion reaction did not succeed. In contrast, H2SO4 as a catalyst in acetic acid solvent succeeded in converting the overall fraction of PA to 𝛽-PAE. Furthermore, the molecular docking study of 𝛽-PAE against COX-2 enzyme showed van der Waals and alkyl-alkyl stacking interactions on ten amino acid residues.

Coordination of an Amino Alcohol Schiff Base Ligand Toward Cd(II)

  • Mardani, Zahra;Hakimi, Mohammad;Moeini, Keyvan;Mohr, Fabian
    • Journal of the Korean Chemical Society
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    • v.63 no.1
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    • pp.29-36
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    • 2019
  • A potentially tetradentate Schiff base ligand, 2-((2-((pyridin-2-ylmethylene)amino)ethyl)amino)ethan-1-ol (PMAE), and its cadmium(II) complex, [$Cd(PMAE)I_2$] (1), were prepared and characterized by elemental analysis, FT-IR, Raman, $^1H$ and $^{13}C$ NMR spectroscopies and single-crystal X-ray diffraction. In the crystal structure of 1, the cadmium atom has a slightly distorted square-pyramidal geometry and a $CdN_3I_2$ environment in which the PMAE acts as an $N_3$-donor. In the crystal packing of the complex, the alcohol and amine groups of the coordinated ligands participate in hydrogen bonding with iodide ions and form $R^2{_2}(14)$ and $R^2{_2}(8)$ hydrogen bond motifs, respectively. In addition to the hydrogen bonds, the crystal network is stabilized by ${\pi}-{\pi}$ stacking interactions between pyridine rings. The thermodynamic stability of the isolated ligand and its cadmium complex along with their charge distribution patterns were studied by DFT and NBO analysis.

Chemical Constituents from Solenostemma argel and their Cholinesterase Inhibitory Activity

  • Demmak, Rym Gouta;Bordage, Simon;Bensegueni, Abederrahmane;Boutaghane, Naima;Hennebelle, Thierry;Mokrani, El Hassen;Sahpaz, Sevser
    • Natural Product Sciences
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    • v.25 no.2
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    • pp.115-121
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    • 2019
  • Alzheimer's disease is a chronic neurodegenerative disorder with no curative treatment. The commercially available drugs, which target acetylcholinesterase, are not satisfactory. The aim of this study was to investigate the cholinesterase inhibitory activity of Solenostemma argel aerial part. Eight compounds were isolated and identified by NMR: kaempferol-3-O-glucopyranoside (1), kaempferol (2), kaempferol-3-glucopyranosyl($1{\rightarrow}6$)rhamnopyranose (3) p-hydroxybenzoic acid (4), dehydrovomifoliol (5), 14,15-dihydroxypregn-4-ene-3,20-dione (6), 14,15-dihydroxy-pregn-4-ene-3,20-dione-$15{\beta}$-D-glucopyranoside (7) and solargin I (8). Two of them (compounds 2 and 3) could inhibit over 50 % of butyrylcholinesterase activity at $100{\mu}M$. Compound (2) displayed the highest inhibitory effect against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) with a slight selectivity towards the latter. Molecular docking studies supported the in vitro results and revealed that (2) had made several hydrogen and ${\pi}-{\pi}$ stacking interactions which could explain the compound potency to inhibit AChE and BChE.

Magnetic biochar from alkali-activated rice straw for removal of rhodamine B from aqueous solution

  • Ren, Zhaogang;Chen, Fang;Wang, Bin;Song, Zhongxian;Zhou, Ziyu;Ren, Dong
    • Environmental Engineering Research
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    • v.25 no.4
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    • pp.536-544
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    • 2020
  • To address organic dye wastewater, economic and effective adsorbents are required. Here, magnetic biochar from alkali-activated rice straw (AMBC) was successfully synthesized using one-step magnetization and carbonization method. The alkaline activation caused the large specific surface area, high pore volume and abundant oxygen-containing groups of the AMBC, and the magnetization gave the AMBC a certain degree of electropositivity and fast equilibrium characteristics. These characteristics collectively contributed to a relative high adsorption capacity of 53.66 mg g-1 for this adsorbent towards rhodamine B (RhB). In brief, RhB can spontaneously adsorb onto the heterogeneous surface of the AMBC and reach the equilibrium in 60 min. Although the initial pH, ionic strength and other substances of the solution affected the adsorption performance of the AMBC, it could be easily regenerated and reused with considerable adsorption content. Based on the results, H-bonds, π-π stacking and electrostatic interactions were speculated as the primary mechanisms for RhB adsorption onto the AMBC, which was also demonstrated by the FTIR analysis. With the advantageous features of low cost, easy separation, considerable adsorption capacity and favorable stability and reusability, the AMBC would be a potential adsorbent for removing organic dyes from wastewater.

Polyimide Multilayer Thin Films Prepared via Spin Coating from Poly(amic acid) and Poly(amic acid) Ammonium Salt

  • Ha, You-Ri;Choi, Myeon-Cheon;Jo, Nam-Ju;Kim, Il;Ha, Chang-Sik;Han, Dong-Hee;Han, Se-Won;Han, Mi-Jeong
    • Macromolecular Research
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    • v.16 no.8
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    • pp.725-733
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    • 2008
  • Polyimide (PI) multilayer thin films were prepared by spin-coating from a poly(amic acid) (PAA) and poly(amic acid) ammonium salt (PAAS). PI was prepared from pyromellitic dianhydride (PMDA) and 4,4'-oxydianiline (ODA) PAA. Different compositions of PAAS were prepared by incorporating triethylamine (TEA) into PMDA-ODA PAA in dimethylacetamide. PI multilayer thin films were spin-coated from PMDA-ODA PAA and PAAS. The PAAS comprising cationic and anionic moieties were spherical with a particle size of $20{\sim}40\;nm$. Some particles showed layers with ammonium salts, despite poor ordering. Too much salt obstructed the interaction between the polymer chains and caused phase separation. A small amount of salt did not affect the interactions of the interlayer structure but did interrupt the stacking between chains. Thermogravimetric analysis (TGA) showed that the average decomposition temperature of the thin films was $611^{\circ}C$. All the films showed almost single-step, thermal decomposition behavior. The nanostructure of the multilayer thin films was confirmed by X -ray reflectivity (XRR). The LF 43 film, which was prepared with a 4:3 molar ratio of PMDA and ODA, was comprised of uniformly spherical PAAS particles that influenced the nanostructure of the interlayer by increasing the interaction forces. This result was supported by the atomic force microscopy (AFM) data. It was concluded that the relationship between the uniformity of the PAAS particle shapes and the interaction between the layers affected the optical and thermal properties of PI layered films.

A Comparative Analysis on the Effectiveness of Reformatting in Children's Brick Stack through Play Theory (놀이론을 통한 어린이 브릭 쌓기의 매체전환 효과성 비교분석)

  • Lee, Tae-Eun;Lee, Chang-Wook
    • Journal of Digital Convergence
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    • v.18 no.4
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    • pp.419-424
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    • 2020
  • The purpose of this study is to find out whether changed interactions due to reformatting has a significant effect on the play attribute of children's play from an instrumental point of view. Based on the study of Roser Caillois theory of play (Agon, Mimicry, Area, Ilinx) and previous studies, a questionnaire was written and experimental design was carried out through brick stack which are most preferred in the whole development of children. Brick stack were selected from physical and electronic spaces and the survey was conducted with children's experiences by dividing into experimental group and comparative group. Correlation and T-test results, the brick stack by reformating showed significant difference in the play attributes (Agon, Mimicry, Area, Ilinx) of Rose Caillois and we found that the effectiveness of play is doubled in the electronic space. Play properties evenly distributed in electronic space brick stacking suggest that pleasure and fun can double.