Remember Me
Or use your Academic/Social account:


Or use your Academic/Social account:


You have just completed your registration at OpenAire.

Before you can login to the site, you will need to activate your account. An e-mail will be sent to you with the proper instructions.


Please note that this site is currently undergoing Beta testing.
Any new content you create is not guaranteed to be present to the final version of the site upon release.

Thank you for your patience,
OpenAire Dev Team.

Close This Message


Verify Password:
Verify E-mail:
*All Fields Are Required.
Please Verify You Are Human:
fbtwitterlinkedinvimeoflicker grey 14rssslideshare1
Kang, Fuxing; Wang, Qian; Shou, Weijun; Collins, Chris D.; Gao, Yanzheng (2017)
Publisher: Elsevier
Languages: English
Types: Article
Subjects: Escherichia coli, Bridging energy, Fluoroquinolone antibiotics, Alkali–earth metals, Computational chemistry, Biofilms

Classified by OpenAIRE into

mesheuropmc: biochemical phenomena, metabolism, and nutrition
Bacterially extracellular biofilms play a critical role in relieving toxicity of fluoroquinolone antibiotic (FQA) pollutants, yet it is unclear whether antibiotic attack may be defused by a bacterial one-two punch strategy associated with metal-reinforced detoxification efficiency. Our findings help to assign functions to specific structural features of biofilms, as they strongly imply a molecularly regulated mechanism by which freely accessed alkali–earth metals in natural waters affect the cellular uptake of FQAs at the water-biofilm interface. Specifically, formation of alkali-earth-metal (Ca2+ or Mg2+) bridge between modeling ciprofloxacin and biofilms of Escherichia coli regulates the trans-biofilm transport rate of FQAs towards cells (135-nm-thick biofilm). As the addition of Ca2+ and Mg2+ (0–3.5 mmol/L, CIP: 1.25 μmol/L), the transport rates were reduced to 52.4% and 63.0%, respectively. Computational chemistry analysis further demonstrated a deprotonated carboxyl in the tryptophan residues of biofilms acted as a major bridge site, of which one side is a metal and the other is a metal girder jointly connected to the carboxyl and carbonyl of a FQA. The bacterial growth rate depends on the bridging energy at anchoring site, which underlines the environmental importance of metal bridge formed in biofilm matrices in bacterially antibiotic resistance.
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • Adkins, J.F., McIntyre, K., Schrag, D.P., 2002. The salinity, temperature, and d18O of the glacial deep ocean. Science 298, 1769e1773.
    • Allouche, A.R., 2011. Gabedit-a graphical user interface for computational chemistry softwares. J. Comput. Chem. 32, 174e182.
    • Aristilde, L., Sposito, G., 2008. Molecular modeling of metal complexation by a fluoroquinolone antibiotic. Environ. Toxicol. Chem. 27, 2304e2310.
    • Baquero, F., Martínez, J.-L., Canton, R., 2008. Antibiotics and antibiotic resistance in water environments. Curr. Opin. Biotechnol. 19, 260e265.
    • Barszcz, B., Masternak, J., Hodorowicz, M., Matczak-Jon, E., JabłonskaWawrzycka, A., Stadnicka, K., Zienkiewicz, M., Krolewska, K., KazmierczakBaranska, J., 2013. Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity. Inorg. Chim. Acta 399, 85e94.
    • Bi, S., Ding, L., Tian, Y., Song, D., Zhou, X., Liu, X., Zhang, H., 2004. Investigation of the interaction between flavonoids and human serum albumin. J. Mol. Struct. 703, 37e45.
    • Boaz, H., Rollefson, G., 1950. The quenching of fluorescence. Deviations from the Stern-Volmer law. J. Am. Chem. Soc. 72, 3435e3443.
    • Bowen, H.J.M., 1979. Environmental Chemistry of the Elements. Academic Press.
    • Burton, K., 1956. A study of the conditions and mechanism of the diphenylamine reaction for the colorimetric estimation of deoxyribonucleic acid. Biochem. J. 62, 315e323.
    • Byler, D.M., Susi, H., 1986. Examination of the secondary structure of proteins by deconvolved FTIR spectra. Biopolymers 25, 469e487.
    • Chen, W., Westerhoff, P., Leenheer, J.A., Booksh, K., 2003. Fluorescence excitationemission matrix regional integration to quantify spectra for dissolved organic matter. Environ. Sci. Technol. 37, 5701e5710.
    • Comte, S., Guibaud, G., Baudu, M., 2006. Relations between extraction protocols for activated sludge extracellular polymeric substances (EPS) and EPS complexation properties: part I. comparison of the efficiency of eight EPS extraction methods. Enzyme Microb. Technol. 38, 237e245.
    • Cornell, W.D., Cieplak, P., Bayly, C.I., Gould, I.R., Merz, K.M., Ferguson, D.M., Spellmeyer, D.C., Fox, T., Caldwell, J.W., Kollman, P.A., 1995. A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J. Am. Chem. Soc. 117, 5179e5197.
    • Dapprich, S., Komaromi, I., Byun, K.S., Morokuma, K., Frisch, M.J., 1999. A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives. J. Mol. Struct. Thochem 461, 1e21.
    • Deacon, G., Phillips, R., 1980. Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination. Coord. Chem. Rev. 33, 227e250.
    • Desnottes, J., Diallo, N., 1992. Cellular uptake and intracellular bactericidal activity of RP 59500 in murine macrophages. J. Antimicrob. Chemother. 30, 107e115.
    • Dubois, M., Gilles, K.A., Hamilton, J.K., Rebers, P., Smith, F., 1956. Colorimetric method for determination of sugars and related substances. Anal. Chem. 28, 350e356.
    • Eftink, M.R., 1997. Fluorescence methods for studying equilibrium macromoleculeligand interactions. Method. Enzymol. 278, 221e257.
    • Fang, H.H., Xu, L.-C., Chan, K.-Y., 2002. Effects of toxic metals and chemicals on biofilm and biocorrosion. Water Res. 36, 4709e4716.
    • Gosselink, R.W., van den Berg, R., Xia, W., Muhler, M., de Jong, K.P., Bitter, J.H., 2012. Gas phase oxidation as a tool to introduce oxygen containing groups on metalloaded carbon nanofibers. Carbon 50, 4424e4431.
    • Gu, B., Schmitt, J., Chen, Z., Liang, L., McCarthy, J.F., 1994. Adsorption and desorption of natural organic matter on iron oxide: mechanisms and models. Environ. Sci. Technol. 28, 38e46.
    • Ha, J., Gelabert, A., Spormann, A.M., Brown, G.E., 2010. Role of extracellular polymeric substances in metal ion complexation on Shewanella oneidensis: batch uptake, thermodynamic modeling, ATR-FTIR, and EXAFS study. Geochim. Cosmochim. Ac 74, 1e15.
    • Harvie, C.E., Møller, N., Weare, J.H., 1984. The prediction of mineral solubilities in natural waters: the Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system to high ionic strengths at 25 C. Geochim. Cosmochim. Ac 48, 723e751.
    • Johnson, E.R., Keinan, S., Mori-Sanchez, P., Contreras-Garcia, J., Cohen, A.J., Yang, W., 2010. Revealing noncovalent interactions. J. Am. Chem. Soc. 132, 6498e6506.
    • Johnston, L., Mackay, L., Croft, M., 2002. Determination of quinolones and fluoroquinolones in fish tissue and seafood by high-performance liquid chromatography with electrospray ionisation tandem mass spectrometric detection. J. Chromatogr. A 982, 97e109.
    • Kang, F., Alvarez, P.J., Zhu, D., 2014. Microbial extracellular polymeric substances reduce Agþ to silver nanoparticles and antagonize bactericidal activity. Environ. Sci. Technol. 48, 316e322.
    • Kang, F., Gao, Y., Wang, Q., 2010. Inhibition of free DNA degradation by the deformation of DNA exposed to trace polycyclic aromatic hydrocarbon contaminants. Environ. Sci. Technol. 44, 8891e8896.
    • Kang, F., Hu, X., Liu, J., Gao, Y., 2015. Noncovalent binding of polycyclic aromatic hydrocarbons with genetic bases reducing the in-vitro lateral transfer of antibiotic resistant genes. Environ. Sci. Technol. 49, 10340e10348.
    • Kang, F., Zhu, D., 2013. Abiotic reduction of 1, 3-dinitrobenzene by aqueous dissolved extracellular polymeric substances produced by microorganisms. J. Environ. Qual. 42, 1441e1448.
    • Kolpin, D.W., Furlong, E.T., Meyer, M.T., Thurman, E.M., Zaugg, S.D., Barber, L.B., Buxton, H.T., 2002. Pharmaceuticals, hormones, and other organic wastewater contaminants in US streams, 1999-2000: a national reconnaissance. Environ. Sci. Technol. 36, 1202e1211.
    • Lakowicz, J.R., Weber, G., 1973. Quenching of fluorescence by oxygen. Probe for structural fluctuations in macromolecules. Biochemistry 12, 4161e4170.
    • Liu, H., Fang, H.H., 2002. Extraction of extracellular polymeric substances (EPS) of sludges. J. Biotechnol. 95, 249e256.
    • Lowry, O.H., Rosebrough, N.J., Farr, A.L., Randall, R.J., 1951. Protein measurement with the Folin phenol reagent. J. Biol. Chem. 193, 265e275.
    • Lu, T., Chen, F., 2012. Multiwfn: a multifunctional wavefunction analyzer. J. Comput. Chem. 33, 580e592.
    • Lu, Y., Wang, G., Lu, X., Lv, J., Xu, M., Zhang, W., 2010. Molecular mechanism of interaction between norfloxacin and trypsin studied by molecular spectroscopy and modeling. Spectrochim. Acta. A 75, 261e266.
    • Martínez, J.L., Baquero, F., Andersson, D.I., 2007. Predicting antibiotic resistance. Nat. Rev. Microbiol. 5, 958e965.
    • Martinez, J.L., 2009. Environmental pollution by antibiotics and by antibiotic resistance determinants. Environ. Pollut. 157, 2893e2902.
    • Merino, S., Domenech, O., Díez, I., Sanz, F., Vin~as, M., Montero, M.T., HernandezBorrell, J., 2003. Effects of ciprofloxacin on Escherichia coli lipid bilayers: an atomic force microscopy study. Langmuir 19, 6922e6927.
    • Merino, S., Vazquez, J.L., Domenech, O., Berlanga, M., Vin~as, M., Montero, M.T., Hernandez-Borrell, J., 2002. Fluoroquinolone-biomembrane interaction at the DPPC/PG lipid-bilayer interface. Langmuir 18, 3288e3292.
    • Milori, D.M., Martin-Neto, L., Bayer, C., Mielniczuk, J., Bagnato, V.S., 2002. Humification degree of soil humic acids determined by fluorescence spectroscopy. Soil Sci. 167, 739e749.
    • Mompelat, S., Le Bot, B., Thomas, O., 2009. Occurrence and fate of pharmaceutical products and by-products, from resource to drinking water. Environ. Int. 35, 803e814.
    • Nakashima, H., Nishikawa, K., 1992. The amino acid composition is different between the cytoplasmic and extracellular sides in membrane proteins. Febs. Lett. 303, 141e146.
    • Nakashima, H., Nishikawa, K., 1994. Discrimination of intracellular and extracellular proteins using amino acid composition and residue-pair frequencies. J. Mol. Biol. 238, 54e61.
    • Petersson, G., Al-Laham, M.A., 1991. A complete basis set model chemistry. II. Openshell systems and the total energies of the first-row atoms. J. Chem. Phys. 94, 6081e6090.
    • Petersson, G., Bennett, A., Tensfeldt, T.G., Al-Laham, M.A., Shirley, W.A., Mantzaris, J., 1988. A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements. J. Chem. Phys. 89, 2193e2218.
    • Pruden, A., Larsson, D.J., Amezquita, A., Collignon, P., Brandt, K.K., Graham, D.W., Lazorchak, J.M., Suzuki, S., Silley, P., Snape, J.R., 2013. Management options for reducing the release of antibiotics and antibiotic resistance genes to the environment. Environ. Heal. Perspect. 121, 878e885.
    • Pruden, A., Pei, R., Storteboom, H., Carlson, K.H., 2006. Antibiotic resistance genes as emerging contaminants: studies in northern Colorado. Environ. Sci. Technol. 40, 7445e7450.
    • Rice, L.B., 2006. Unmet medical needs in antibacterial therapy. Biochem. Pharmacol. 71, 991e995.
    • Stipp, S.L., Hochella, M.F., 1991. Structure and bonding environments at the calcite surface as observed with X-ray photoelectron spectroscopy (XPS) and low energy electron diffraction (LEED). Geochim. Cosmochim. Ac 55, 1723e1736.
    • Sun, X., Wang, S., Zhang, X., Chen, J.P., Li, X., Gao, B., Ma, Y., 2009. Spectroscopic study of Zn2þ and Co2þ binding to extracellular polymeric substances (EPS) from aerobic granules. J. Colloid Interface Sci. 335, 11e17.
    • Sundararajan, M., Rajaraman, G., Ghosh, S.K., 2011. Speciation of uranyl ions in fulvic acid and humic acid: a DFT exploration. Phys. Chem. Chem. Phys. 13, 18038e18046.
    • Trucks, G., Schlegel, H., Scuseria, G., Robb, M., Cheeseman, J., Scalmani, G., Barone, V., Mennucci, B., Petersson, G., Nakatsuji, H., 2009. Gaussian 09, Revision E. 01. Gaussian, Inc, Wallingford, CT.
    • Turiel, E., Martín-Esteban, A., Tadeo, J.L., 2006. Multiresidue analysis of quinolones and fluoroquinolones in soil by ultrasonic-assisted extraction in small columns and HPLC-UV. Anal. Chim. Acta 562, 30e35.
    • Valeur, B., Berberan-Santos, M.N., 2012. Molecular Fluorescence: Principles and Applications. John Wiley & Sons.
    • Walter, H., 2012. Partitioning in Aqueous Twoephase System: Theory, Methods, Uses, and Applications to Biotechnology. Elsevier.
    • Wingender, J., Neu, T.R., Flemming, H.-C., 2012. Microbial Extracellular Polymeric Substances: Characterization, Structure and Function. Springer Science & Business Media.
    • Wishart, D.S., Bigam, C.G., Holm, A., Hodges, R.S., Sykes, B.D., 1995. 1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects. J. Biomol. NMR 5, 67e81.
    • Xiong, J., Stehle, T., Zhang, R., Joachimiak, A., Frech, M., Goodman, S.L., Arnaout, M.A., 2002. Crystal structure of the extracellular segment of integrin aVb3 in complex with an Arg-Gly-Asp ligand. Science 296, 151e155.
    • Xu, W.-h., Zhang, G., Zou, S.-c., Li, X.-d., Liu, Y.-c., 2007. Determination of selected antibiotics in the Victoria Harbour and the Pearl River, South China using highperformance liquid chromatography-electrospray ionization tandem mass spectrometry. Environ. Pollut. 145, 672e679.
    • Zhang, Q., Zhao, L., Dong, Y., Huang, G., 2012. Sorption of norfloxacin onto humic acid extracted from weathered coal. J. Environ. Manag. 102, 165e172.
  • No related research data.
  • No similar publications.

Share - Bookmark

Cite this article