Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal–organic frameworks

A series of new zinc-based metal–organic framework materials has been prepared in which deferiprone is incorporated as a chelating ligand on infinite or tri-zinc secondary building units following deprotonation. Deferiprone is immediately released from the MOFs on treatments with 1 N hydrochloric acid or buffer, but slow release is observed in ethanoic acid

D-branes with Lorentzian signature in the Nappi-Witten model

Lorentzian signature D-branes of all dimensions for the Nappi-Witten string are constructed. This is done by rewriting the gluing condition $J_+=FJ_-$ for the model chiral currents on the brane as a well posed first order differential problem and by solving it for Lie algebra isometries $F$ other than Lie algebra automorphisms. By construction, these D-branes are not twined conjugacy classes. Metrically degenerate D-branes are also obtained.Comment: 22 page

Estudio de viabilidad económica de la implantación de bioceldas en una planta de tratamiento de aguas residuales

Las aguas residuales generadas en la industria de los zumos se caracterizan entre otras cosas por presentar altas concentraciones de materia orgánica, la cual es muy costosa de eliminar con los tratamientos que existen actualmente.En los últimos años están surgiendo numerosos estudios en torno al uso de celdas de combustible microbiológicas o bioceldas como método de tratamiento de aguas residuales. En este artículo se ha realizado un estudio de viabilidad económica de la implantación de 10 bioceldas para tratar las aguas residuales generadas en una industria de este tipo. Para ello, se analizaron tres posibles escenarios que podrían darse utilizando estos sistemas y se compararon los resultados obtenidos con el uso de un reactor convencional de fangos activos. Los resultados obtenidos para el VAN mostraron que la utilizaciónde bioceldas podría proporcionar un ahorro comprendido entre un 10 y 20 % aproximadamente dependiendo de si es un escenario pesimista u optimista, respectivamente, teniendo en cuenta un tiempo de vida de la planta de 15 años. El área de electrodo por celda considerada en este estudio fue de 0,36 m2, la cual dio lugar a densidades de potencia algo más altas que las encontradas en la bibliografía. Por ello, se decidió realizar un análisis de sensibilidad considerando áreas de electrodo de 0,5 m2 y 0,8 m2 en las bioceldas. Se encontró que aún utilizandoáreas de 0,5 m2 el VAN seguiría siendo positivo en todos los escenarios considerados y para el valor de 0,8 m2 se obtuvieron también resultados favorables en el escenario optimista. Estos resultados muestran que siempre que se cumplan los criterios establecidos en este estudio, la depuración mediante bioceldas en una industria de este tipo podría ser una alternativa más rentable que la depuración convencional mediante fangos activos

A Semiconducting Bi2O2(C4O4) Coordination Polymer Showing a Photoelectric Response

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.inorgchem.9b03290.[EN] Inorganic semiconductors are extensively considered to be among the most promising materials to convert solar light into electricity or chemical energy owing to their efficiency in the separation of photoinduced electron/hole. Bismuth oxides, and, in particular, those built up of [Bi2O2](2+) layers, show an efficient charge separation and, thus, high photocatalytic activities. To explore a possible synergetic effect of bismuth metallic nodes combined with the electron-rich linker squarate, Bi2O2(C4O4) or IEF-3 (an IMDEA Energy framework) was hydrothermally prepared and adequately characterized. As determined from the X-ray structure, [Bi2O2](2+) layers are interconnected by squarate ligands, having a pronounced effect of the 6s(2) lone pair on the bismuth local environment. IEF-3 shows high thermal and chemical robustness at industrially relevant model aggressive media. A large panel of physicochemical methods were applied to recognize IEF-3 as an UV-absorbing n-type semiconductor, showing a photocurrent response comparable to that of alpha-Bi2O3, offering further possibilities for tuning its electrochemical properties by modifying the ligand. In this way, the well-known compositional and structural versatility of coordination polymers may be applied in the future to fine-tune metal-organic semiconductor systems.The authors acknowledge Ra-Phuel (Grant ENE2016-79608-C2-1-R), Ramon y Cajal Grant RYC-2014-15039 (Ministerio de Ciencia, Investigacion y Universidades), and Fundacion Ramon Areces (H + MOFs) for financial support. S.N. is thankful for financial support by the Fundacion Ramon Areces (XVIII Concurso Nacional para la Adjudicacion de Ayudas a la Investigacion en Ciencias de la Vida y de la Materia, 2016), Ministerio de Ciencia, Innovacion y Universidades project (Project RTI2018-099482-A-I00), and Generalitat Valenciana grupos de investigacion consolidables 2019 (ref: AICO/2019/214) project. H.G. is thankful for financial support by the Spanish Ministry of Science and Innovation (Severo Ochoa SEV2016 and RTI2018-890237-CO2-1), and Generalitat Valenciana (Prometeo 2017/083) is also gratefully acknowledged.Babaryk, AA.; Contreras Almengor, OR.; Cabrero-Antonino, M.; Navalón Oltra, S.; García Gómez, H.; Horcajada, P. (2020). A Semiconducting Bi2O2(C4O4) Coordination Polymer Showing a Photoelectric Response. Inorganic Chemistry. 59(6):3406-3416. https://doi.org/10.1021/acs.inorgchem.9b03290S34063416596Lund, H. (2007). Renewable energy strategies for sustainable development. Energy, 32(6), 912-919. doi:10.1016/j.energy.2006.10.017Omer, A. M. (2008). Energy, environment and sustainable development. Renewable and Sustainable Energy Reviews, 12(9), 2265-2300. doi:10.1016/j.rser.2007.05.001Crabtree, G. W., & Lewis, N. S. (2007). Solar energy conversion. Physics Today, 60(3), 37-42. doi:10.1063/1.2718755Gust, D., Moore, T. A., & Moore, A. L. (2009). Solar Fuels via Artificial Photosynthesis. Accounts of Chemical Research, 42(12), 1890-1898. doi:10.1021/ar900209bArakawa, H., & Sayama, K. (2000). Oxide semiconductor materials for solar light energy utilization. Research on Chemical Intermediates, 26(2), 145-152. doi:10.1163/156856700x00183Sang, Y., Liu, H., & Umar, A. (2014). Photocatalysis from UV/Vis to Near-Infrared Light: Towards Full Solar-Light Spectrum Activity. ChemCatChem, 7(4), 559-573. doi:10.1002/cctc.201402812Wang, Q., & Domen, K. (2019). Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies. Chemical Reviews, 120(2), 919-985. doi:10.1021/acs.chemrev.9b00201Liu, Z., & Yan, F. (2012). The Application of Bismuth-Based Oxides in Organic-Inorganic Hybrid Photovoltaic Devices. Journal of the American Ceramic Society, 95(6), 1944-1948. doi:10.1111/j.1551-2916.2012.05088.xRaza, W., Haque, M. M., Muneer, M., Harada, T., & Matsumura, M. (2015). Synthesis, characterization and photocatalytic performance of visible light induced bismuth oxide nanoparticle. Journal of Alloys and Compounds, 648, 641-650. doi:10.1016/j.jallcom.2015.06.245Gomez, C. L., Depablos-Rivera, O., Silva-Bermudez, P., Muhl, S., Zeinert, A., Lejeune, M., … Rodil, S. E. (2015). Opto-electronic properties of bismuth oxide films presenting different crystallographic phases. Thin Solid Films, 578, 103-112. doi:10.1016/j.tsf.2015.02.020MEDERNACH, J. W., & SNYDER, R. L. (1978). Powder Diffraction Patterns and Structures of the Bismuth Oxides. Journal of the American Ceramic Society, 61(11-12), 494-497. doi:10.1111/j.1151-2916.1978.tb16125.xLeontie, L., Caraman, M., Alexe, M., & Harnagea, C. (2002). Structural and optical characteristics of bismuth oxide thin films. Surface Science, 507-510, 480-485. doi:10.1016/s0039-6028(02)01289-xXiao, X., Liu, C., Hu, R., Zuo, X., Nan, J., Li, L., & Wang, L. (2012). Oxygen-rich bismuth oxyhalides: generalized one-pot synthesis, band structures and visible-light photocatalytic properties. Journal of Materials Chemistry, 22(43), 22840. doi:10.1039/c2jm33556eWeidong, H., Wei, Q., Xiaohong, W., Xianbo, D., Long, C., & Zhaohua, J. (2007). The photocatalytic properties of bismuth oxide films prepared through the sol–gel method. Thin Solid Films, 515(13), 5362-5365. doi:10.1016/j.tsf.2007.01.031Duan, F., Zheng, Y., Liu, L., Chen, M., & Xie, Y. (2010). Synthesis and photocatalytic behaviour of 3D flowerlike bismuth oxide formate architectures. Materials Letters, 64(14), 1566-1569. doi:10.1016/j.matlet.2010.04.046Lee, G.-J., Zheng, Y.-C., & Wu, J. J. (2018). Fabrication of hierarchical bismuth oxyhalides (BiOX, X = Cl, Br, I) materials and application of photocatalytic hydrogen production from water splitting. Catalysis Today, 307, 197-204. doi:10.1016/j.cattod.2017.04.044Huang, H., He, Y., Lin, Z., Kang, L., & Zhang, Y. (2013). Two Novel Bi-Based Borate Photocatalysts: Crystal Structure, Electronic Structure, Photoelectrochemical Properties, and Photocatalytic Activity under Simulated Solar Light Irradiation. The Journal of Physical Chemistry C, 117(44), 22986-22994. doi:10.1021/jp4084184Liu, Y., Wang, Z., Huang, B., Yang, K., Zhang, X., Qin, X., & Dai, Y. (2010). Preparation, electronic structure, and photocatalytic properties of Bi2O2CO3 nanosheet. Applied Surface Science, 257(1), 172-175. doi:10.1016/j.apsusc.2010.06.058Huang, H., He, Y., Li, X., Li, M., Zeng, C., Dong, F., … Zhang, Y. (2015). Bi2O2(OH)(NO3) as a desirable [Bi2O2]2+layered photocatalyst: strong intrinsic polarity, rational band structure and {001} active facets co-beneficial for robust photooxidation capability. Journal of Materials Chemistry A, 3(48), 24547-24556. doi:10.1039/c5ta07655bRuleova, P., Drasar, C., Lostak, P., Li, C.-P., Ballikaya, S., & Uher, C. (2010). Thermoelectric properties of Bi2O2Se. Materials Chemistry and Physics, 119(1-2), 299-302. doi:10.1016/j.matchemphys.2009.08.067Luu, S. D. N., & Vaqueiro, P. (2015). Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi2O2Te. Journal of Solid State Chemistry, 226, 219-223. doi:10.1016/j.jssc.2015.02.026Yu, X., Marks, T. J., & Facchetti, A. (2016). Metal oxides for optoelectronic applications. Nature Materials, 15(4), 383-396. doi:10.1038/nmat4599Alvaro, M., Carbonell, E., Ferrer, B., Llabrés i Xamena, F. X., & Garcia, H. (2007). Semiconductor Behavior of a Metal-Organic Framework (MOF). Chemistry - A European Journal, 13(18), 5106-5112. doi:10.1002/chem.200601003Usman, M., Mendiratta, S., & Lu, K.-L. (2016). Semiconductor Metal-Organic Frameworks: Future Low-Bandgap Materials. Advanced Materials, 29(6), 1605071. doi:10.1002/adma.201605071Tachikawa, T., Choi, J. R., Fujitsuka, M., & Majima, T. (2008). Photoinduced Charge-Transfer Processes on MOF-5 Nanoparticles: Elucidating Differences between Metal-Organic Frameworks and Semiconductor Metal Oxides. The Journal of Physical Chemistry C, 112(36), 14090-14101. doi:10.1021/jp803620vFeyand, M., Mugnaioli, E., Vermoortele, F., Bueken, B., Dieterich, J. M., Reimer, T., … Stock, N. (2012). Automated Diffraction Tomography for the Structure Elucidation of Twinned, Sub-micrometer Crystals of a Highly Porous, Catalytically Active Bismuth Metal-Organic Framework. Angewandte Chemie International Edition, 51(41), 10373-10376. doi:10.1002/anie.201204963Wang, G., Sun, Q., Liu, Y., Huang, B., Dai, Y., Zhang, X., & Qin, X. (2014). A Bismuth-Based Metal-Organic Framework as an Efficient Visible-Light-Driven Photocatalyst. Chemistry - A European Journal, 21(6), 2364-2367. doi:10.1002/chem.201405047Wang, G., Liu, Y., Huang, B., Qin, X., Zhang, X., & Dai, Y. (2015). A novel metal–organic framework based on bismuth and trimesic acid: synthesis, structure and properties. Dalton Transactions, 44(37), 16238-16241. doi:10.1039/c5dt03111gWang, Y., Takki, S., Cheung, O., Xu, H., Wan, W., Öhrström, L., & Inge, A. K. (2017). Elucidation of the elusive structure and formula of the active pharmaceutical ingredient bismuth subgallate by continuous rotation electron diffraction. Chemical Communications, 53(52), 7018-7021. doi:10.1039/c7cc03180gKöppen, M., Dhakshinamoorthy, A., Inge, A. K., Cheung, O., Ångström, J., Mayer, P., & Stock, N. (2018). Synthesis, Transformation, Catalysis, and Gas Sorption Investigations on the Bismuth Metal-Organic Framework CAU-17. European Journal of Inorganic Chemistry, 2018(30), 3496-3503. doi:10.1002/ejic.201800321Gándara, F., Gómez-Lor, B., Iglesias, M., Snejko, N., Gutiérrez-Puebla, E., & Monge, A. (2009). A new scandium metal organic framework built up from octadecasil zeolitic cages as heterogeneous catalyst. Chemical Communications, (17), 2393. doi:10.1039/b900841aGoswami, S., Adhikary, A., Jena, H. S., Biswas, S., & Konar, S. (2013). A 3D Iron(II)-Based MOF with Squashed Cuboctahedral Nanoscopic Cages Showing Spin-Canted Long-Range Antiferromagnetic Ordering. Inorganic Chemistry, 52(20), 12064-12069. doi:10.1021/ic401886fUsov, P. M., Keene, T. D., & D’Alessandro, D. M. (2013). A Comparative Study of the Structural, Optical, and Electrochemical Properties of Squarate-Based Coordination Frameworks. Australian Journal of Chemistry, 66(4), 429. doi:10.1071/ch12474Liu, Z., Lin, K., Ren, Y., Kato, K., Cao, Y., Deng, J., … Xing, X. (2019). Inorganic–organic hybridization induced uniaxial zero thermal expansion in MC4O4 (M = Ba, Pb). Chemical Communications, 55(28), 4107-4110. doi:10.1039/c9cc00226jAllen, L. C. (1989). Electronegativity is the average one-electron energy of the valence-shell electrons in ground-state free atoms. Journal of the American Chemical Society, 111(25), 9003-9014. doi:10.1021/ja00207a003Goswami, S., Jena, H. S., & Konar, S. (2014). Study of Heterogeneous Catalysis by Iron-Squarate based 3D Metal Organic Framework for the Transformation of Tetrazines to Oxadiazole derivatives. Inorganic Chemistry, 53(14), 7071-7073. doi:10.1021/ic5003258Lin, R.-B., Li, L., Zhou, H.-L., Wu, H., He, C., Li, S., … Chen, B. (2018). Molecular sieving of ethylene from ethane using a rigid metal–organic framework. Nature Materials, 17(12), 1128-1133. doi:10.1038/s41563-018-0206-2Li, L., Guo, L., Zhang, Z., Yang, Q., Yang, Y., Bao, Z., … Li, J. (2019). A Robust Squarate-Based Metal–Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton. Journal of the American Chemical Society, 141(23), 9358-9364. doi:10.1021/jacs.9b03422Wang, Ke, Feng, Ho, Chang, Chuang, & Lee. (2019). Synthesis, Structural Characterization and Ligand-Enhanced Photo-Induced Color-Changing Behavior of Two Hydrogen-Bonded Ho(III)-Squarate Supramolecular Compounds. Polymers, 11(8), 1369. doi:10.3390/polym11081369Boultif, A., & Louër, D. (2004). Powder pattern indexing with the dichotomy method. Journal of Applied Crystallography, 37(5), 724-731. doi:10.1107/s0021889804014876De Wolff, P. M. (1968). A simplified criterion for the reliability of a powder pattern indexing. Journal of Applied Crystallography, 1(2), 108-113. doi:10.1107/s002188986800508xAltomare, A., Cuocci, C., Giacovazzo, C., Moliterni, A., Rizzi, R., Corriero, N., & Falcicchio, A. (2013). EXPO2013: a kit of tools for phasing crystal structures from powder data. Journal of Applied Crystallography, 46(4), 1231-1235. doi:10.1107/s0021889813013113Spek, A. L. (2009). Structure validation in chemical crystallography. Acta Crystallographica Section D Biological Crystallography, 65(2), 148-155. doi:10.1107/s090744490804362xRietveld, H. M. (1969). A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2(2), 65-71. doi:10.1107/s0021889869006558Gonze, X., Amadon, B., Anglade, P.-M., Beuken, J.-M., Bottin, F., Boulanger, P., … Zwanziger, J. W. (2009). ABINIT: First-principles approach to material and nanosystem properties. Computer Physics Communications, 180(12), 2582-2615. doi:10.1016/j.cpc.2009.07.007Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., … Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100(13). doi:10.1103/physrevlett.100.136406Hamann, D. R. (2013). Optimized norm-conserving Vanderbilt pseudopotentials. Physical Review B, 88(8). doi:10.1103/physrevb.88.085117Hinuma, Y., Pizzi, G., Kumagai, Y., Oba, F., & Tanaka, I. (2017). Band structure diagram paths based on crystallography. Computational Materials Science, 128, 140-184. doi:10.1016/j.commatsci.2016.10.015Becke, A. D., & Johnson, E. R. (2006). A simple effective potential for exchange. The Journal of Chemical Physics, 124(22), 221101. doi:10.1063/1.2213970Tran, F., & Blaha, P. (2009). Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential. Physical Review Letters, 102(22). doi:10.1103/physrevlett.102.226401Christensen, A. N., Jensen, T. R., Scarlett, N. V. Y., Madsen, I. C., Hanson, J. C., & Altomare, A. (2003). In-situ X-ray powder diffraction studies of hydrothermal and thermal decomposition reactions of basic bismuth(iii) nitrates in the temperature range 20–650 °C. Dalton Trans., (16), 3278-3282. doi:10.1039/b303926aSuzuki, H., Kunioku, H., Higashi, M., Tomita, O., Kato, D., Kageyama, H., & Abe, R. (2018). Lead Bismuth Oxyhalides PbBiO2X (X = Cl, Br) as Visible-Light-Responsive Photocatalysts for Water Oxidation: Role of Lone-Pair Electrons in Valence Band Engineering. Chemistry of Materials, 30(17), 5862-5869. doi:10.1021/acs.chemmater.8b01385Wu, X., Li, M., Li, J., Zhang, G., & Yin, S. (2017). A sillenite-type Bi12MnO20 photocatalyst: UV, visible and infrared lights responsive photocatalytic properties induced by the hybridization of Mn 3d and O 2p orbitals. Applied Catalysis B: Environmental, 219, 132-141. doi:10.1016/j.apcatb.2017.07.025Millet, P., Sabadié, L., Galy, J., & Trombe, J. . (2003). Hydrothermal synthesis and structure of the first tin(II) squarate Sn2O(C4O4)(H2O)—comparison with Sn2[Sn2O2F4]. Journal of Solid State Chemistry, 173(1), 49-53. doi:10.1016/s0022-4596(03)00078-1Bataille, T., Bouhali, A., Kouvatas, C., Trifa, C., Audebrand, N., & Boudaren, C. (2019). Hydrates and polymorphs of lead squarate Pb(C4O4): Structural transformations studied by in situ X-ray powder diffraction and solid state NMR. Polyhedron, 164, 123-131. doi:10.1016/j.poly.2019.02.047Kroumova, E., Aroyo, M. I., Perez-Mato, J. M., Kirov, A., Capillas, C., Ivantchev, S., & Wondratschek, H. (2003). Bilbao Crystallographic Server : Useful Databases and Tools for Phase-Transition Studies. Phase Transitions, 76(1-2), 155-170. doi:10.1080/0141159031000076110Junqueira, G. M. A., Rocha, W. R., De Almeida, W. B., & Dos Santos, H. F. (2002). Theoretical analysis of the oxocarbons: The solvent and counter-ion effects on the structure and spectroscopic properties of the squarate ion. Physical Chemistry Chemical Physics, 5(3), 437-445. doi:10.1039/b209740kCao, J., Xu, B., Lin, H., Luo, B., & Chen, S. (2012). Novel heterostructured Bi2S3/BiOI photocatalyst: facile preparation, characterization and visible light photocatalytic performance. Dalton Transactions, 41(37), 11482. doi:10.1039/c2dt30883eKeller, E., & Krämer, V. (2005). A Strong Deviation from Vegard’s Rule: X-Ray Powder Investigations of the Three Quasi-Binary Phase Systems BiOX–BiOY (X, Y = Cl, Br, I). Zeitschrift für Naturforschung B, 60(12), 1255-1263. doi:10.1515/znb-2005-1207Gao, X., Zhao, H., Zhao, X., Li, Z., Gao, Z., Wang, Y., & Huang, H. (2018). Aqueous phase sensing of bismuth ion using fluorescent metal-organic framework. Sensors and Actuators B: Chemical, 266, 323-328. doi:10.1016/j.snb.2018.03.139Deibert, B. J., Velasco, E., Liu, W., Teat, S. J., Lustig, W. P., & Li, J. (2016). High-Performance Blue-Excitable Yellow Phosphor Obtained from an Activated Solvochromic Bismuth-Fluorophore Metal–Organic Framework. Crystal Growth & Design, 16(8), 4178-4182. doi:10.1021/acs.cgd.6b00622De Mello DonegÁ, C., Ribeiro, S. J. L., Gon çalves, R. R., & Blasse, G. (1996). Luminescence and non-radiative processes in lanthanide squarate hydrates. Journal of Physics and Chemistry of Solids, 57(11), 1727-1734. doi:10.1016/0022-3697(96)00032-7He, R., Zhou, J., Fu, H., Zhang, S., & Jiang, C. (2018). Room-temperature in situ fabrication of Bi 2 O 3 /g-C 3 N 4 direct Z-scheme photocatalyst with enhanced photocatalytic activity. Applied Surface Science, 430, 273-282. doi:10.1016/j.apsusc.2017.07.191ZHANG, K., LIU, C., HUANG, F., ZHENG, C., & WANG, W. (2006). Study of the electronic structure and photocatalytic activity of the BiOCl photocatalyst. Applied Catalysis B: Environmental, 68(3-4), 125-129. doi:10.1016/j.apcatb.2006.08.002Corkett, A. J., Chen, Z., Bogdanovski, D., Slabon, A., & Dronskowski, R. (2019). Band Gap Tuning in Bismuth Oxide Carbodiimide Bi2O2NCN. Inorganic Chemistry, 58(9), 6467-6473. doi:10.1021/acs.inorgchem.9b0067

Geometric construction of D-branes in WZW models

The geometric description of D-branes in WZW models is pushed forward. Our starting point is a gluing condition\, $J_{+}=FJ_-$ that matches the model's chiral currents at the worldsheet boundary through a linear map $F$ acting on the WZW Lie algebra. The equivalence of boundary and gluing conditions of this type is studied in detail. The analysis involves a thorough discussion of Frobenius integrability, shows that $F$ must be an isometry, and applies to both metrically degenerate and nondegenerate D-branes. The isometry $F$ need not be a Lie algebra automorphism nor constantly defined over the brane. This approach, when applied to isometries of the form $F=R$ with $R$ a constant Lie algebra automorphism, validates metrically degenerate $R$-twined conjugacy classes as D-branes. It also shows that no D-branes exist in semisimple WZW models for constant\, $F=-R$.Comment: 23 pages, discussion of limitations of the gluing condition approach adde

Effect of Hesperidin with and without a Calcium (Calcilock®) Supplement on Bone Health in Postmenopausal Women

Context: Citrus fruits contain unique flavanones. One of the most abundant of the flavanones, hesperidin, has been shown to prevent bone loss in ovariectomized rats. Objective: The objective of the study was to measure the effect of hesperidin with or without calcium supplementation on bone calcium retention in postmenopausal women. Design: The study was a double-blind, placebo-controlled, randomized-order crossover design of 500 g hesperidin with or without 500 mg calcium supplement in 12 healthy postmenopausal women. Bone calcium retention was determined from urinary excretion of the rare isotope, 41Ca, from bone. Results: Calcium plus hesperidin, but not hesperidin alone, improved bone calcium retention by 5.5% (P < .04). Conclusion: Calcium supplementation (Calcilock), in combination with hesperidin, is effective at preserving bone in postmenopausal women. - See more at: http://press.endocrine.org/doi/10.1210/jc.2015-3767#sthash.ztalWWcv.dpu

Virulence genes and subclone status as markers of experimental virulence in a murine sepsis model among Escherichia coli sequence type 131 clinical isolates from Spain

Objective: To assess experimental virulence among sequence type 131 (ST131) Escherichia coli bloodstream isolates in relation to virulence genotype and subclone. Methods: We analysed 48 Spanish ST131 bloodstream isolates (2010) by PCR for ST131 subclone status (H30Rx, H30 non-Rx, or non-H30), virulence genes (VGs), and O-type. Then we compared these traits with virulence in a murine sepsis model, as measured by illness severity score (ISS) and rapid lethality (mean ISS >= 4). Results: Of the 48 study isolates, 65% were H30Rx, 21% H30 non-Rx, and 15% non-H30; 44% produced ESBLs, 98% were O25b, and 83% qualified as extraintestinal pathogenic E. coli (ExPEC). Of 49 VGs, ibeA and iss were associated significantly with non-H30 isolates, and sat, iha and malX with H30 isolates. Median VG scores differed by subclone, i.e., 12 (H30Rx), 10 (H30 non-Rx), and 11 (non-H30) (p < 0.01). Nearly 80% of isolates represented a described virotype. In mice, H30Rx and non-H30 isolates were more virulent than H30 non-Rx isolates (according to ISS [p = 0.03] and rapid lethality [p = 0.03]), as were ExPEC isolates compared with non-ExPEC isolates (median ISS, 4.3 vs. 2.7: p = 0.03). In contrast, most individual VGs, VG scores, VG profiles, and virotypes were not associated with mouse virulence. Conclusions: ST131 subclone and ExPEC status, but not individual VGs, VG scores or profiles, or virotypes, predicted mouse virulence. Given the lower virulence of non-Rx H30 isolates, hyper-virulence probably cannot explain the ST131-H30 clade's epidemic emergence

Chitosan-coated mesoporous MIL-100(Fe) nanoparticles as improved bio-compatible oral nanocarriers

Nanometric biocompatible Metal-Organic Frameworks (nanoMOFs) are promising candidates for drug delivery. Up to now, most studies have targeted the intravenous route, related to pain and severe complications; whereas nanoMOFs for oral administration, a commonly used non-invasive and simpler route, remains however unexplored. We propose here the biofriendly preparation of a suitable oral nanocarrier based on the benchmarked biocompatible mesoporous iron(III) trimesate nanoparticles coated with the bioadhesive polysaccharide chitosan (CS). This method does not hamper the textural/ structural properties and the sorption/release abilities of the nanoMOFs upon surface engineering. The interaction between the CS and the nanoparticles has been characterized through a combination of high resolution soft X-ray absorption and computing simulation, while the positive impact of the coating on the colloidal and chemical stability under oral simulated conditions is here demonstrated. Finally, the intestinal barrier bypass capability and biocompatibility of CS-coated nanoMOF have been assessed in vitro, leading to an increased intestinal permeability with respect to the noncoated material, maintaining an optimal biocompatibility. In conclusion, the preservation of the interesting physicochemical features of the CS-coated nanoMOF and their adapted colloidal stability and progressive biodegradation, together with their improved intestinal barrier bypass, make these nanoparticles a promising oral nanocarrier

A Novel Porous Ti-Squarate as Efficient Photocatalyst in the Overall Water Splitting Reaction under Simulated Sunlight Irradiation

[EN] A new porous titanium(IV) squarate metal¿organic framework (MOF), denoted as IEF-11, having a never reported titanium secondary building unit, is successfully synthesized and fully characterized. IEF-11 not only exhibits a permanent porosity but also an outstanding chemical stability. Further, as a consequence of combining the photoactive Ti(IV) and the electroactive squarate, IEF-11 presents relevant optoelectronic properties, applied here to the photocatalytic overall water splitting reaction. Remarkably, IEF-11 as a photocatalyst is able to produce record H2 amounts for MOF-based materials under simulated sunlight (up to 672 µmol gcatalyst in 22 h) without any activity loss during at least 10 d.P.S.-A. and A.A.B. contributed equally to this work. The authors acknowledge the Ramón Areces Foundation project H+MOFs, the M-ERA-NET C-MOF-cell (grant PCI2020-111998 funded by MCIN/AEI/10.13039/501100011033 and European Union NextGenerationEU/ PRTR) project, and Retos Investigación MOFSEIDON (grant PID2019-104228RB-I00 funded by MCIN/AEI/10.13039/501100011033) project. S.N. thanks financial support by Ministerio de Ciencia, Innovatión y Universidades RTI2018-099482-A-I00 project and Agència Valenciana de la Innovació (AVI, INNEST/2020/111) project. H.G. thanks financial support to the Spanish Ministry of Science and Innovation (Severo Ochoa and RTI2018-098237-CO21) and Generalitat Valenciana (Prometeo2017/083). T.W. acknowledges financial support from the Swedish Research Council (VR, 2019-05465). Parts of this research were carried out at ¿CRISTAL¿ at SOLEIL. P.S. and A.A.B. sincerely thank to the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020 for the support of the synchrotron experiment.Salcedo-Abraira, P.; Babaryk, AA.; Montero-Lanzuela, E.; Contreras Almengor, OR.; Cabrero-Antonino, M.; Svensson, E.; Willhammar, T.... (2021). A Novel Porous Ti-Squarate as Efficient Photocatalyst in the Overall Water Splitting Reaction under Simulated Sunlight Irradiation. Advanced Materials. 33(52):1-9. https://doi.org/10.1002/adma.20210662719335

Evolution of Antimicrobial Consumption During the First Wave of COVID-19 Pandemic

Background: The first wave of COVID-19 pandemic may have significantly impacted antimicrobial consumption in hospitals. The objective of this study was to assess the evolution of antimicrobial consumption during this period. Methods : A retrospective quasi-experimental before-after study was conducted in a Spanish tertiary care hospital. The study compared two periods: pre-pandemic, from January 2018 to February 2020, and during the COVID-19 pandemic from March to June 2020. Antimicrobial consumption was analyzed monthly as defined daily doses (DDD)/100 bed-days and overall hospital and ICU consumption were evaluated. Results: An increase in the hospital consumption was noticed. Although only ceftaroline achieved statistical significance (p = 0.014), a rise was observed in most of the studied antimicrobials. A clear temporal pattern was detected. While an increase in ceftriaxone and azithromycin was observed during March, an increment in the consumption of daptomycin, carbapenems, linezolid, ceftaroline, novel cephalosporin/β-lactamase inhibitors or triazoles during April-May was noticed. In the ICU, these findings were more evident, namely ceftriaxone (p = 0.029), carbapenems (p = 0.002), daptomycin (p = 0.002), azithromycin (p = 0.030), and linezolid (p = 0.011) but followed a similar temporal pattern. Conclusion : An increase in the antimicrobial consumption during the first wave of COVID-19 pandemic was noticed, especially in the ICU. Availability of updated protocols and antimicrobial stewardship programs are essential to optimize these outcomes