Fully coordinated silica nanoclusters: (SiO2)(N) molecular rings

A new form of finite silica with edge-sharing SiO2 units connected in a ring is proposed. High-level density-functional calculations for (SiO2)(N), N = 4-14, show the rings to be energetically more stable than the corresponding (SiO2)(N) linear chains for N > 11. The rings display frequency modes in remarkable agreement with infrared bands measured on dehydrated silica surfaces indicating their potential as models of strained extended silica systems. Silica rings, if synthesized, may also be useful precursors for new bulk-silica polymorphs with tubular or porous morphologies

Prophylaxis of infectious complications with colony-stimulating factors in adult cancer patients undergoing chemotherapy—evidence-based guidelines from the Infectious Diseases Working Party AGIHO of the German Society for Haematology and Medical Oncology (DGHO)

We found convincing evidence from numerous randomised controlled trials that G-CSF, biosimilar G-CSF and pegfilgrastim reduce the risk to develop febrile neutropenia and infections. As a rule of thumb, it seems the relative benefit is highest for patients with an intermediate risk of infections. Compared to other guidelines, we rated the evidence for growth factors during AML induction chemotherapy and pegfilgrastim use in haematological malignancies lowe

Clinical efficacy of β-lactam/β-lactamase inhibitor combinations for the treatment of bloodstream infection due to extended-spectrum β-lactamase-producing Enterobacteriaceae in haematological patients with neutropaenia: a study protocol for a retrospective observational study (BICAR)

Introduction: Bloodstream infection (BSI) due to extended-spectrum β-lactamase-producing Gram-negative bacilli (ESBL-GNB) is increasing at an alarming pace worldwide. Although β-lactam/β-lactamase inhibitor (BLBLI) combinations have been suggested as an alternative to carbapenems for the treatment of BSI due to these resistant organisms in the general population, their usefulness for the treatment of BSI due to ESBL-GNB in haematological patients with neutropaenia is yet to be elucidated. The aim of the BICAR study is to compare the efficacy of BLBLI combinations with that of carbapenems for the treatment of BSI due to an ESBL-GNB in this population. Methods and analysis: A multinational, multicentre, observational retrospective study. Episodes of BSI due to ESBL-GNB occurring in haematological patients and haematopoietic stem cell transplant recipients with neutropaenia from 1 January 2006 to 31 March 2015 will be analysed. The primary end point will be case-fatality rate within 30 days of onset of BSI. The secondary end points will be 7-day and 14-day case-fatality rates, microbiological failure, colonisation/infection by resistant bacteria, superinfection, intensive care unit admission and development of adverse events. Sample size: The number of expected episodes of BSI due to ESBL-GNB in the participant centres will be 260 with a ratio of control to experimental participants of 2. Ethics and dissemination: The protocol of the study was approved at the first site by the Research Ethics Committee (REC) of Hospital Universitari de Bellvitge. Approval will be also sought from all relevant RECs. Any formal presentation or publication of data from this study will be considered as a joint publication by the participating investigators and will follow the recommendations of the International Committee of Medical Journal Editors (ICMJE). The study has been endorsed by the European Study Group for Bloodstream Infection and Sepsis (ESGBIS) and the European Study Group for Infections in Compromised Hosts (ESGICH)

Long-term follow-up of high-dose chemotherapy with autologous stem-cell transplantation and response-adapted whole-brain radiotherapy for newly diagnosed primary CNS lymphoma: results of the multicenter Ostdeutsche Studiengruppe Hämatologie und Onkologie OSHO-53 phase II study

Background We previously reported the results of a phase II study for patients with newly diagnosed primary central nervous system lymphoma treated with autologous peripheral blood stem-cell transplantation (aPBSCT) and response-adapted whole-brain radiotherapy (WBRT). Now, we update the initial results. Patients and methods From 1999 to 2004, 23 patients received high-dose methotrexate. In case of at least partial remission, high-dose busulfan/thiotepa (HD-BuTT) followed by aPBSCT was carried out. Patients refractory to induction or without complete remission after HD-BuTT received WBRT. Eight patients still alive in 2011 were contacted and Mini-Mental State Examination (MMSE) and the European Organisation for Research and Treatment of Cancer quality-of-life questionnaire (QLQ)-C30 were carried out. Results Of eight patients still alive, median follow-up is 116.9 months. Only one of nine irradiated patients is still alive with a severe neurologic deficit. In seven of eight patients treated with HD-BuTT, health condition and quality of life are excellent. MMSE and QLQ-C30 showed remarkably good results in patients who did not receive WBRT. All of them have a Karnofsky score of 90%-100%. Conclusions Follow-up shows an overall survival of 35%. In six of seven patients where WBRT could be avoided, no long-term neurotoxicity has been observed and all patients have an excellent quality of lif

Hollow micro/nanomaterials as nanoreactors for photocatalysis

Learning from nature, one of the most prominent goals of photocatalysis is to assemble multifunctional photocatalytic units in an integrated, high performance device that is capable of using solar energy to produce “solar hydrogen” from aqueous media. By analogy with natural systems it is clear that scaffolds with multi-scale structural architectures are necessary. In this perspective, recent progress related to the use of hollow micro/nanomaterials as nanoreactors for photocatalysis is discussed. Organised, multi-scale assemblies of photocatalytic units on hollow scaffolds is an emerging area that shows much promise for the synthesis of high performance photocatalysts. Not only do improved transport and diffusion characteristics play an import role, but increased electron/hole separation lifetimes as well as improved light harvesting characteristics by the hollow structures also do so and are touched upon in this short perspective

Production of High Quality Syncrude from Lignocellulosic Biomass

[EN] Wood chips were hydrothermally treated in near critical point water in the presence of a catalyst to yield a raw biocrude, containing a wide range of organic components. This product was subsequently distilled to remove its heaviest fraction, which tends to yield chary products if heated above 350 degrees C. The biocrude obtained has an oxygen content of 12wt% and was subsequently hydrotreated to obtain a hydrocarbon stream. Varying the hydrotreatment operating conditions and catalyst yielded a deoxygenated syncrude which quality improved with operation severity. The hydroprocessed stream produced under very mild conditions can be further upgraded in conventional refinery operations while the stream produced after more severe hydrotreatment can be mixed with conventional diesel. This proof of concept was demonstrated with commercial hydrotreating catalysts, operating between 350 and 380 degrees C, 40 to 120bar pressure and 0.5 to 1h(-1) contact time.The authors thank Licella for material and financial support, as well as providing the biocrude used for the hydrotreating experiments. Licella gratefully acknowledges support from the Australian Government in the form of funding as part of the Advanced Biofuels Investment Readiness Program, received through the Australian Renewable Energy Agency (ARENA). Financial support by the Spanish Government-MINECO through program "Severo Ochoa" (SEV 2012-0267), CTQ2015-70126-R (MINECO/FEDER), and by the Generalitat Valenciana through the Prometeo program (PROMETEOII/2013/011) is also acknowledged.Mathieu, Y.; Sauvanaud, LL.; Humphreys, L.; Rowlands, W.; Maschmeyer, T.; Corma Canós, A. (2017). Production of High Quality Syncrude from Lignocellulosic Biomass. ChemCatChem. 9(9):1574-1578. https://doi.org/10.1002/cctc.201601677S1574157899Huber, G. W., & Corma, A. (2007). Synergies between Bio- and Oil Refineries for the Production of Fuels from Biomass. Angewandte Chemie International Edition, 46(38), 7184-7201. doi:10.1002/anie.200604504Huber, G. W., & Corma, A. (2007). Synergien zwischen Bio- und Ölraffinerien bei der Herstellung von Biomassetreibstoffen. Angewandte Chemie, 119(38), 7320-7338. doi:10.1002/ange.200604504U.S. Department of Energy 2016.2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy Volume 1: Economic Availability of Feedstocks. M. H. Langholtz B. J. Stokes L. M. Eaton (Leads) ORNL/TM-2016/160. Oak Ridge National Laboratory Oak Ridge TN. 448p. DOI:10.2172/1271651.Klein-Marcuschamer, D., & Blanch, H. W. (2015). Renewable fuels from biomass: Technical hurdles and economic assessment of biological routes. AIChE Journal, 61(9), 2689-2701. doi:10.1002/aic.14755Maitlis, P. M., & de Klerk, A. (2013). New Directions, Challenges, and Opportunities. Greener Fischer-Tropsch Processes for Fuels and Feedstocks, 337-358. doi:10.1002/9783527656837.ch16De Miguel Mercader, F., Groeneveld, M. J., Kersten, S. R. A., Geantet, C., Toussaint, G., Way, N. W. J., … Hogendoorn, K. J. A. (2011). Hydrodeoxygenation of pyrolysis oil fractions: process understanding and quality assessment through co-processing in refinery units. Energy & Environmental Science, 4(3), 985. doi:10.1039/c0ee00523aGoudriaan, F., & Peferoen, D. G. R. (1990). Liquid fuels from biomass via a hydrothermal process. Chemical Engineering Science, 45(8), 2729-2734. doi:10.1016/0009-2509(90)80164-aPeterson, A. A., Vogel, F., Lachance, R. P., Fröling, M., Antal, Jr., M. J., & Tester, J. W. (2008). Thermochemical biofuel production in hydrothermal media: A review of sub- and supercritical water technologies. Energy & Environmental Science, 1(1), 32. doi:10.1039/b810100kToor, S. S., Rosendahl, L., & Rudolf, A. (2011). Hydrothermal liquefaction of biomass: A review of subcritical water technologies. Energy, 36(5), 2328-2342. doi:10.1016/j.energy.2011.03.013Oasmaa, A., & Czernik, S. (1999). Fuel Oil Quality of Biomass Pyrolysis OilsState of the Art for the End Users. Energy & Fuels, 13(4), 914-921. doi:10.1021/ef980272bElliott, D. C., Biller, P., Ross, A. B., Schmidt, A. J., & Jones, S. B. (2015). Hydrothermal liquefaction of biomass: Developments from batch to continuous process. Bioresource Technology, 178, 147-156. doi:10.1016/j.biortech.2014.09.132http://www.licella.com.au/commercial-demonstration-plant/.L. J.Humphreys (Ignite Energy Resources Pty Ltd) WO Pat. 2011/032202(A1) 2011.T.Maschmeyer L. J.Humphreys (Licella Pty Ltd) WO Pat. 2011/123897(A1) 2011.Wang, W., Yang, Y., Luo, H., Hu, T., & Liu, W. (2011). Amorphous Co–Mo–B catalyst with high activity for the hydrodeoxygenation of bio-oil. Catalysis Communications, 12(6), 436-440. doi:10.1016/j.catcom.2010.11.001Monnier, J., Sulimma, H., Dalai, A., & Caravaggio, G. (2010). Hydrodeoxygenation of oleic acid and canola oil over alumina-supported metal nitrides. Applied Catalysis A: General, 382(2), 176-180. doi:10.1016/j.apcata.2010.04.035Kubička, D., & Kaluža, L. (2010). Deoxygenation of vegetable oils over sulfided Ni, Mo and NiMo catalysts. Applied Catalysis A: General, 372(2), 199-208. doi:10.1016/j.apcata.2009.10.034Huber, G. W., O’Connor, P., & Corma, A. (2007). Processing biomass in conventional oil refineries: Production of high quality diesel by hydrotreating vegetable oils in heavy vacuum oil mixtures. Applied Catalysis A: General, 329, 120-129. doi:10.1016/j.apcata.2007.07.002Anthonykutty, J. M., Van Geem, K. M., De Bruycker, R., Linnekoski, J., Laitinen, A., Räsänen, J., … Lehtonen, J. (2013). Value Added Hydrocarbons from Distilled Tall Oil via Hydrotreating over a Commercial NiMo Catalyst. Industrial & Engineering Chemistry Research, 52(30), 10114-10125. doi:10.1021/ie400790vH. P.Ruyter J. H. J.Annee (Shell Oil Co) US Pat. no. 4670613A 1987.S. Jones et al. Process Design and Economics for the Conversion of Algal Biomass to Hydrocarbons: Whole Algae Hydrothermal Liquefaction and Upgrading PNNL report 23227 2014.Baker, E. G., & Elliott, D. C. (1988). Catalytic Hydrotreating of Biomass-Derived Oils. Pyrolysis Oils from Biomass, 228-240. doi:10.1021/bk-1988-0376.ch021Kubička, D., & Horáček, J. (2011). Deactivation of HDS catalysts in deoxygenation of vegetable oils. Applied Catalysis A: General, 394(1-2), 9-17. doi:10.1016/j.apcata.2010.10.03

Opportunities in upgrading biomass crudes

[EN] An unconventional crude from biomass (biocrude) has been processed to yield a hydrocarbon stream that is not only fully processable in conventional refineries but is already close to the specification of commercial fuels such as transportation diesel. The upgrading of biocrude was carried out with a combination of hydrotreatment and catalytic cracking, yielding middle distillate as the main product.The authors thank Licella for material and financial support, as well as providing the biocrude used for the hydrotreating experiments. Licella gratefully acknowledges support from the Australian Government in the form of funding as part of the Advanced Biofuels Investment Readiness Program, received through the Australian Renewable Energy Agency (ARENA). Financial support by the Spanish Government-MINECO through program "Severo Ochoa" (SEV 2012-0267), CTQ2015-70126-R (MINECO/FEDER), and by the Generalitat Valenciana through the Prometeo program (PROMETEOII/2013/011) is also acknowledged.Mathieu, Y.; Sauvanaud, LL.; Humphreys, L.; Rowlands, W.; Maschmeyer, T.; Corma Canós, A. (2017). Opportunities in upgrading biomass crudes. Faraday Discussions. 197:389-401. https://doi.org/10.1039/c6fd00208kS389401197U.S. Department of Energy. 2016. 2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy, Volume 1: Economic Availability of Feedstocks. M. H. Langholtz, B. J. Stokes, and L. M. Eaton (Leads), ORNL/TM-2016/160. Oak Ridge National Laboratory, Oak Ridge, TN. 448ppP. M. Maitlis and A.de Klerk, Greener Fischer-Tropsch Processes for Fuels and Feedstocks, Wiley, 2013, ch. 16De Miguel Mercader, F., Groeneveld, M. J., Kersten, S. R. A., Geantet, C., Toussaint, G., Way, N. W. J., … Hogendoorn, K. J. A. (2011). Hydrodeoxygenation of pyrolysis oil fractions: process understanding and quality assessment through co-processing in refinery units. Energy & Environmental Science, 4(3), 985. doi:10.1039/c0ee00523aGoudriaan, F., & Peferoen, D. G. R. (1990). Liquid fuels from biomass via a hydrothermal process. Chemical Engineering Science, 45(8), 2729-2734. doi:10.1016/0009-2509(90)80164-aPeterson, A. A., Vogel, F., Lachance, R. P., Fröling, M., Antal, Jr., M. J., & Tester, J. W. (2008). Thermochemical biofuel production in hydrothermal media: A review of sub- and supercritical water technologies. Energy & Environmental Science, 1(1), 32. doi:10.1039/b810100kToor, S. S., Rosendahl, L., & Rudolf, A. (2011). Hydrothermal liquefaction of biomass: A review of subcritical water technologies. Energy, 36(5), 2328-2342. doi:10.1016/j.energy.2011.03.013Oasmaa, A., & Czernik, S. (1999). Fuel Oil Quality of Biomass Pyrolysis OilsState of the Art for the End Users. Energy & Fuels, 13(4), 914-921. doi:10.1021/ef980272bhttp://www.licella.com.au/commercial-demonstration-plant/Bridgwater, A. V. (1994). Catalysis in thermal biomass conversion. Applied Catalysis A: General, 116(1-2), 5-47. doi:10.1016/0926-860x(94)80278-5De Miguel Mercader, F., Groeneveld, M. J., Kersten, S. R. A., Way, N. W. J., Schaverien, C. J., & Hogendoorn, J. A. (2010). Production of advanced biofuels: Co-processing of upgraded pyrolysis oil in standard refinery units. Applied Catalysis B: Environmental, 96(1-2), 57-66. doi:10.1016/j.apcatb.2010.01.033Wang, C., Li, M., & Fang, Y. (2016). Coprocessing of Catalytic-Pyrolysis-Derived Bio-Oil with VGO in a Pilot-Scale FCC Riser. Industrial & Engineering Chemistry Research, 55(12), 3525-3534. doi:10.1021/acs.iecr.5b03008Fogassy, G., Thegarid, N., Schuurman, Y., & Mirodatos, C. (2012). The fate of bio-carbon in FCC co-processing products. Green Chemistry, 14(5), 1367. doi:10.1039/c2gc35152hRezaei, P. S., Shafaghat, H., & Daud, W. M. A. W. (2014). Production of green aromatics and olefins by catalytic cracking of oxygenate compounds derived from biomass pyrolysis: A review. Applied Catalysis A: General, 469, 490-511. doi:10.1016/j.apcata.2013.09.036Hughes, R., Hutchings, G. J., Koon, C. L., McGhee, B., Snape, C. E., & Yu, D. (1996). Deactivation of FCC catalysts using n-hexadecane feed with various additives. Applied Catalysis A: General, 144(1-2), 269-279. doi:10.1016/0926-860x(96)00106-8Huber, G. W., O’Connor, P., & Corma, A. (2007). Processing biomass in conventional oil refineries: Production of high quality diesel by hydrotreating vegetable oils in heavy vacuum oil mixtures. Applied Catalysis A: General, 329, 120-129. doi:10.1016/j.apcata.2007.07.002Anthonykutty, J. M., Van Geem, K. M., De Bruycker, R., Linnekoski, J., Laitinen, A., Räsänen, J., … Lehtonen, J. (2013). Value Added Hydrocarbons from Distilled Tall Oil via Hydrotreating over a Commercial NiMo Catalyst. Industrial & Engineering Chemistry Research, 52(30), 10114-10125. doi:10.1021/ie400790vS. Jones , Y.Zu, D.Anderson, R.Allen, D.Elliot, A.Schmidt, K.Albrecht, T.Hart, M.Butcher, C.Drennan, L.Snowden-Swan, R.Davis and C.Kinchin, PNNL report 23227, March 2014Corma, A., González-Alfaro, V., & Orchillés, A. . (2001). Decalin and Tetralin as Probe Molecules for Cracking and Hydrotreating the Light Cycle Oil. Journal of Catalysis, 200(1), 34-44. doi:10.1006/jcat.2001.3181CORMA, A., & ORTEGA, F. (2005). Influence of adsorption parameters on catalytic cracking and catalyst decay. Journal of Catalysis, 233(2), 257-265. doi:10.1016/j.jcat.2005.04.02

Challenges and Opportunities for Single-Atom Electrocatalysts: From Lab-Scale Research to Potential Industry-Level Applications

Single-atom electrocatalysts (SACs) are a class of promising materials for driving electrochemical energy conversion reactions due to their intrinsic advantages, including maximum metal utilization, well-defined active structures, and strong interface effects. However, SACs have not reached full commercialization for broad industrial applications. This review summarizes recent research achievements in the design of SACs for crucial electrocatalytic reactions on their active sites, coordination, and substrates, as well as the synthesis methods. The key challenges facing SACs in activity, selectivity, stability, and scalability, are highlighted. Furthermore, it is pointed out the new strategies to address these challenges including increasing intrinsic activity of metal sites, enhancing the utilization of metal sites, improving the stability, optimizing the local environment, developing new fabrication techniques, leveraging insights from theoretical studies, and expanding potential applications. Finally, the views are offered on the future direction of single-atom electrocatalysis toward commercialization

Spectroscopic and computational insights on catalytic synergy in bimetallic aluminophosphate catalysts

A combined electronic structure computational and X-ray absorption spectroscopy study was used to investigate the nature of the active sites responsible for catalytic synergy in Co-Ti bimetallic nanoporous frameworks. Probing the nature of the molecular species at the atomic level has led to the identification of a unique Co-O-Ti bond, which serves as the loci for the superior performance of the bimetallic catalyst, when compared with its analogous monometallic counterpart. The structural and spectroscopic features associated with this active site have been characterized and contrasted, with a view to affording structure property relationships, in the wider context of designing sustainable catalytic oxidations with porous solids