Micro-solvated DMABN: Excited state quantum dynamics and dual fluorescence spectra

In this work, we report a complete analysis by theoretical and spectroscopic methods of the short-time behaviour of 4-(dimethylamino)benzonitrile (DMABN) in the gas phase as well as in cyclohexane, tetrahydrofuran, acetonitrile, and water solution, after excitation to the La state. The spectroscopic properties of DMABN were investigated experimentally using UV absorption and fluorescence emission spectroscopy. The computational study was developed at different electronic structure levels and using the Polarisable Continuum Model (PCM) and explicit solvent molecules to reproduce the solvent environment. Additionally, excited state quantum dynamics simulations in the diabatic picture using the direct dynamics variational multiconfigurational Gaussian (DD-vMCG) method were performed, the largest quantum dynamics “on-the-fly” simulations performed with this method until now. The comparison with fully converged multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) dynamics on parametrised linear vibronic coupling (LVC) potentials show very similar population decays and evolution of the nuclear wavepacket. The ring C=C stretching and three methyl tilting modes are identified as the responsible motions for the internal conversion from the La to the Lb states. No major differences are observed in the ultrafast initial decay in different solvents, but we show that this effect depends strongly on the level of electronic structure used

Experiments on enlarging a lexical ontology

This paper presents two simple experiments performed in order to enlarge the coverage of PULO, a Lexical Ontology, based and aligned with the Princeton WordNet. The first experiment explores the triangulation of the Galician, Catalan and Castillian wordnets, with translation dictionaries from the Apertium project. The second, explores Dicionário-Aberto entries, in order to extract synsets from its definitions. Although similar approaches were already applied for different languages, this document aims at documenting their results for the PULO case

Sugarcane stem borers of the Colombian Cauca River Valley: current pest status, biology, and control

Citation: Vargas, G., Gomez, L. A., & Michaud, J. P. (2015). Sugarcane stem borers of the Colombian Cauca River Valley: current pest status, biology, and control. Florida Entomologist, 98(2), 728-735. Retrieved from ://WOS:000356451400049Sugarcane stem borers of the genus of Diatraea (Lepidoptera: Crambidae) form a species complex that causes serious economic losses to sugarcane production in the Cauca River Valley and other regions of Colombia. Two primary species, Diatraea saccharalis (F.) and D. indigenella Dyar and Heinrich, have been effectively managed for more than 4 decades through augmentative releases of the tachinid flies Lydella minense (Townsend) and Billaea claripalpis (Wulp) (Diptera: Tachinidae) and the egg parasitoid Trichogramma exiguum Pinto & Platner (Hymenoptera: Trichogrammatidae). Here we review the current pest status of Diatraea species, damage assessment protocols, management tactics, and the environmental factors and cultural practices that can affect biological control outcomes. Recent changes in the cultivars grown have the potential to increase pest populations and diminish biological control efficacy. Additionally, recent outbreaks of new Diatraea species may further increase overall pest pressure. Thus, there is a need to develop supplementary tactics for the management of these pests that will be compatible with biological control, as well as more reliable protocols for assessing host plant resistance against the increase in infestation intensity

Characteristic Evolution and Matching

I review the development of numerical evolution codes for general relativity based upon the characteristic initial value problem. Progress in characteristic evolution is traced from the early stage of 1D feasibility studies to 2D axisymmetric codes that accurately simulate the oscillations and gravitational collapse of relativistic stars and to current 3D codes that provide pieces of a binary black hole spacetime. Cauchy codes have now been successful at simulating all aspects of the binary black hole problem inside an artificially constructed outer boundary. A prime application of characteristic evolution is to extend such simulations to null infinity where the waveform from the binary inspiral and merger can be unambiguously computed. This has now been accomplished by Cauchy-characteristic extraction, where data for the characteristic evolution is supplied by Cauchy data on an extraction worldtube inside the artificial outer boundary. The ultimate application of characteristic evolution is to eliminate the role of this outer boundary by constructing a global solution via Cauchy-characteristic matching. Progress in this direction is discussed.Comment: New version to appear in Living Reviews 2012. arXiv admin note: updated version of arXiv:gr-qc/050809

The pharmaceutical use of permethrin: Sources and behavior during municipal sewage treatment

This is the author's accepted manuscript. The final published article is available from the link below. Copyright @ 2010 Springer Science+Business Media, LLC.Permethrin entered use in the 1970s as an insecticide in a wide range of applications, including agriculture, horticultural, and forestry, and has since been restricted. In the 21st century, the presence of permethrin in the aquatic environment has been attributed to its use as a human and veterinary pharmaceutical, in particular as a pedeculicide, in addition to other uses, such as a moth-proofing agent. However, as a consequence of its toxicity to fish, sources of permethrin and its fate and behavior during wastewater treatment are topics of concern. This study has established that high overall removal of permethrin (approximately 90%) was achieved during wastewater treatment and that this was strongly dependent on the extent of biological degradation in secondary treatment, with more limited subsequent removal in tertiary treatment processes. Sources of permethrin in the catchment matched well with measured values in crude sewage and indicated that domestic use accounted for more than half of the load to the treatment works. However, removal may not be consistent enough to achieve the environmental quality standards now being derived in many countries even where tertiary treatment processes are applied.United Utilities PL

Quantization of Midisuperspace Models

We give a comprehensive review of the quantization of midisuperspace models. Though the main focus of the paper is on quantum aspects, we also provide an introduction to several classical points related to the definition of these models. We cover some important issues, in particular, the use of the principle of symmetric criticality as a very useful tool to obtain the required Hamiltonian formulations. Two main types of reductions are discussed: those involving metrics with two Killing vector fields and spherically symmetric models. We also review the more general models obtained by coupling matter fields to these systems. Throughout the paper we give separate discussions for standard quantizations using geometrodynamical variables and those relying on loop quantum gravity inspired methods.Comment: To appear in Living Review in Relativit

Comparative LCA of concrete with recycled aggregates: a circular economy mindset in Europe

[EN] Purpose Construction and demolition waste (C&DW) is the largest waste stream in the European Union (EU) and all over the world. Proper management of C&DW and recycled materials¿including the correct handling of hazardous waste¿can have major benefits in terms of sustainability and the quality of life. The Waste Framework Directive 2008/98/EC aims to have 70% of C&DW recycled by 2020. However, except for a few EU countries, only about 50% of C&DW is currently being recycled. In the present research, the environmental impact of concrete with recycled aggregates and with geopolymer mixtures is analysed. The aim of the present research is to propose a comparative LCA of concrete with recycled aggregates in the context of European politics. Methods Life cycle assessment (LCA) methodology is applied using Simapro© software. A cradle to grave analysis is carried out. The results are analysed based on the database Ecoinvent 3.3 and Impact 2002+. Results Results show that the concrete with 25% recycled aggregates is the best solution from an environmental point of view. Furthermore, geopolymer mixtures could be a valid alternative to reduce the phenomenon of ¿global warming¿; however, the production of sodium silicate and sodium hydroxide has a great environmental impact. Conclusions A possible future implementation of the present study is certainly to carry out an overall assessment and to determine the most cost-effective option among the different competing alternatives through the life cycle cost analysis.Colangelo, F.; Gómez-Navarro, T.; Farina, I.; Petrillo, A. (2020). Comparative LCA of concrete with recycled aggregates: a circular economy mindset in Europe. International Journal of Life Cycle Assessment. 25(9):1790-1804. https://doi.org/10.1007/s11367-020-01798-6S17901804259Akhtar A, Sarmah (2018) Construction and demolition waste generation and properties of recycled aggregate concrete: a global perspective. J Cleaner Prod 186:262–281Bare JC, Hofstetter P, Penningtonne DW, Helias A, de Haes U (2000) Midpoints versus endpoints: the sacrifices and benefits. Int J Life Cycle Assess 5(6):319–326Blengini GA, Garbarino E (2010) Resources and waste management in Turin (Italy): the role of recycled aggregates in the sustainable supply mix. J Clean Prod 18(10–11):1021–1030Blengini GA, Garbarino E, Šolar S, Shields DJ, Hámor T, Vinai R, Agioutantis Z (2012) Life cycle assessment guidelines for the sustainable production and recycling of aggregates: the sustainable aggregates resource management project (SARMa). J Clean Prod 27:177–181Blengini GA, Garbarino E, Bevilacqua P (2017) Sustainability and integration between mineral resources and C&DW management: overview of key issues towards a resource-efficient Europe. Env Eng Man J 16(2):493–502Borghi G, Pantini S, Rigamonti L (2018) Life cycle assessment of non-hazardous construction and demolition waste (CDW) management in Lombardy region (Italy). J Clean Prod 184:815–825Braga AM, Silvestre JD, de Brito J (2017) Compared environmental and economic impact from cradle to gate of concrete with natural and recycled coarse aggregates. J Clean Prod 162:529–543Chen C, Habert G, Bouzidi Y, Jullien A, Ventura A (2010) LCA allocation procedure used as an incitative method for waste recycling: an application to mineral additions in concrete. Res Con Rec 54(12):1231–1240Chen Z, Gu H, Bergman RD, Liang S (2020) Comparative life-cycle assessment of a high-rise mass timber building with an equivalent reinforced concrete alternative using the Athena impact estimator for buildings. Sustainability (Switzerland) 12(11):4708Colangelo F, Cioffi R (2017) Mechanical properties and durability of mortar containing fine fraction of demolition wastes produced by selective demolition in South Italy. Comp Part B: Eng 115:43–50Colangelo F, Petrillo A, Cioffi R, Borrelli C, Forcina A (2018a) Life cycle assessment of recycled concretes: a case study in southern Italy. Sci Total Env 615:1506–1517Colangelo F, Forcina A, Farina I, Petrillo A (2018b) Life cycle assessment (LCA) of different kinds of concrete containing waste for sustainable construction. Buildings 8(5):70Colangelo F, Navarro TG, Petrillo A, Farina I, Cioffi R (2020) Life-cycle impact of concrete with recycled materials. Encyclopedia of Renewable and Sustainable Materials, Volume 5(2020):414–421COM (2012) 433, COMMUNICATION FROM THE COMMISSION TO THE EUROPEAN PARLIAMENT AND THE COUNCIL Strategy for the sustainable competitiveness of the construction sector and its enterprises, http://eur-lex.europa.eu/procedure/EN/201859, Brussels, 31.7.2012, COM(2012) 433 finalCOM (2014) 445, COMMUNICATION FROM THE COMMISSION TO THE EUROPEAN PARLIAMENT AND THE COUNCIL, http://ec.europa.eu/environment/eussd/pdf/SustainableBuildingsCommunication.pdf, Brussels, 1.7.2014 COM(2014) 445 finalDavidovits J (2018) Geopolymers based on natural and synthetic metakaolin a critical review. Ceramic Eng Science Proc 38(3):201–214Di Maria A, Eyckmans J, Van Acker K (2018) Downcycling versus recycling of construction and demolition waste: combining LCA and LCC to support sustainable policy making. Waste Man 75:3–21Directive 2008/98/EC on waste (Waste Framework Directive), http://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098EN 1992-1-1:(2004) Eurocode 2: Design of concrete structures - Part 1–1: General rules and rules for buildingsEstanqueiro B, Dinis Silvestre J, de Brito J, Duarte Pinheiro M (2018) Environmental life cycle assessment of coarse natural and recycled aggregates for concrete. Eur J Env Civ Eng 22(4):429–449Etxeberria M, Vázquez E, Marí A, Barra M (2007) Influence of amount of recycled coarse aggregates and production process on properties of recycled aggregate concrete. Cem Conc Res 37(5):735–742EU construction & demolition waste management protocol (2016) BrusselsGálvez-Martos J-L, Styles D, Schoenberger H, Zeschmar-Lahl B (2018) Construction and demolition waste best management practice in Europe. Res Con Rec 136:166–178Gluth, G.J.G., Arbi, K., Bernal, S.A., Bondar, D., Castel, A., Chithiraputhiran, S., Dehghan, A., Dombrowski-Daube, K., Dubey, A., Ducman, V., Peterson, K., Pipilikaki, P., Valcke, S.L.A., Ye, G., Hajimohammadi, A., van Deventer, J.S.J., 2017. Characterisation of one-part geopolymer binders made from fly ash. Waste Biom Val, 8(1), pp. 225–233Gomes R, Silvestre JD, de Brito J (2020) Environmental, economic and energy life cycle assessment “from cradle to cradle” (3E-C2C) of flat roofs. Journal of Building Engineering 32:101436ISO 14040 (2006) Environmental management life cycle assessment. Principles and Framework. ISO, GenevaISO 14044 (2006) Environmental management. Life cycle assessment. Requirements and Guidelines. ISO, GenevaJafary Nasab T, Monavari SM, Jozi SA, Majedi H (2020) Assessment of carbon footprint in the construction phase of high-rise constructions in Tehran. Int J Environ Sci Technol 17(6):3153–3164Jolliet O, Margni M, Charles R, Humbert S, Payet J, Rebitzer G, Rosenbaum R (2003) Impact 2002+: a new life cycle impact assessment methodology. Int J Life Cycle Assess 8(6):324–333Khan MW, Ali Y, De Felice F, Salman A, Petrillo A (2019) Impact of brick kilns industry on environment and human health in Pakistan. Sci Total Environ 678:383–389Knoeri C, Sanyé-Mengual E, Althaus H-J (2013) Comparative LCA of recycled and conventional concrete for structural applications. Int J Life Cycle Assess 18(5):909–918Lu W, Yan H (2011) A framework for understanding waste management studies in construction. Waste Man 31:1252–1260Marinković S, Radonjanin V, Malešev M, Ignjatović I (2010) Comparative environmental assessment of natural and recycled aggregate concrete. Waste Man 30(11):2255–2264Mercante IT, Bovea MD, Ibáñez-Forés V, Arena AP (2012) Life cycle assessment of construction and demolition waste management systems: a Spanish case study. Int J Life Cycle Assess 17(2):232–241Pantini S, Giurato M, Rigamonti L (2019) A LCA study to investigate resource-efficient strategies for managing post-consumer gypsum waste in Lombardy region (Italy). Res Con Rec 147:157–168Petrillo A, Cioffi R, De Felice F, Colangelo F, Borrelli C (2016) An environmental evaluation: a comparison between geopolymer and OPC concrete paving blocks manufacturing process in Italy. Env Prog Sus Energy 35(6):1699–1708Provis JL (2017) Alkali-activated cementitious materials and concretes - steps towards standardization, American Concrete Inst, ACI Special Publication 2017-January (SP 320), pp. 444-448Sayagh S, Ventura A, Hoang T, François D (2010) Sensitivity of the LCA allocation procedure for BFS recycled into pavement structures. Res cons rec 54(6):348–358Tangtinthai N, Heidrich O, Manning DAC (2019) Role of policy in managing mined resources for construction in Europe and emerging economies. J Env Man 236:613–621Tošić N, Marinković S, Dašić T, Stanić M (2015) Multicriteria optimization of natural and recycled aggregate concrete for structural use. J Clean Prod 87(1):766–776Van den Heede P, De Belie N (2012) Environmental impact and life cycle assessment (LCA) of traditional and ‘green’ concretes: literature review and theoretical calculations. Cem Conc Comp 34(4):431–442Vossberg C, Mason-Jones K, Cohen B (2014) An energetic life cycle assessment of C&D waste and container glass recycling in Cape Town, South Africa. Res Con Rec 88:39–49Walling SA, Notman S, Watts P, Govan N, Provis JL (2019) Portland cement based immobilization/destruction of chemical weapon agent degradation products. Industrial Eng Chemistry Res 58(24):10383–10393Wu H, Zuo J, Yuan H, Zillante G, Wang J (2019) A review of performance assessment methods for construction and demolition waste management. Res Cons Recycling 150:104407Zhang C, Hu M, Dong L, Gebremariam A, Mirand-Xicotencatl B, Di Maio F, Tukker A (2019) Eco-efficiency assessment of technological innovations in high-grade concrete recycling. Res Cons Recycling 149:649–66

A meta-analysis of long-term effects of conservation agriculture on maize grain yield under rain-fed conditions

Conservation agriculture involves reduced tillage, permanent soil cover and crop rotations to enhance soil fertility and to supply food from a dwindling land resource. Recently, conservation agriculture has been promoted in Southern Africa, mainly for maize-based farming systems. However, maize yields under rain-fed conditions are often variable. There is therefore a need to identify factors that influence crop yield under conservation agriculture and rain-fed conditions. Here, we studied maize grain yield data from experiments lasting 5 years and more under rain-fed conditions. We assessed the effect of long-term tillage and residue retention on maize grain yield under contrasting soil textures, nitrogen input and climate. Yield variability was measured by stability analysis. Our results show an increase in maize yield over time with conservation agriculture practices that include rotation and high input use in low rainfall areas. But we observed no difference in system stability under those conditions. We observed a strong relationship between maize grain yield and annual rainfall. Our meta-analysis gave the following findings: (1) 92% of the data show that mulch cover in high rainfall areas leads to lower yields due to waterlogging; (2) 85% of data show that soil texture is important in the temporal development of conservation agriculture effects, improved yields are likely on well-drained soils; (3) 73% of the data show that conservation agriculture practices require high inputs especially N for improved yield; (4) 63% of data show that increased yields are obtained with rotation but calculations often do not include the variations in rainfall within and between seasons; (5) 56% of the data show that reduced tillage with no mulch cover leads to lower yields in semi-arid areas; and (6) when adequate fertiliser is available, rainfall is the most important determinant of yield in southern Africa. It is clear from our results that conservation agriculture needs to be targeted and adapted to specific biophysical conditions for improved impact

Possibilities for the future of global mental health: a scenario planning approach.

BACKGROUND: Global mental health is a widely used term describing initiatives in policies, research and practice to improve the mental health of people worldwide. It has been gaining momentum over the last 10 years, reflected in increasing funding opportunities, training programmes, and publications. In light of the rising importance of global mental health and the various uncertainties about its future directions, this paper explores what the future may hold for global mental health in 30 years' time. METHOD: A scenario planning method was used, involving a workshop with experts from four continents and a range of backgrounds, including clinical and academic psychiatry, psychology, art and music therapy, service user advisory role, funder of global health research and post-graduate students. RESULTS: Six distinct scenarios that describe potential future situations were developed: universal standards for care; worldwide coordination of research; making use of diversity; focus on social factors; globalised care through technology; mental health as a currency in global politics. CONCLUSIONS: These scenarios consider different social, economic, scientific and technological drivers and focus on distinct aspects. Some reflect a global application of possible trends in mental health, whilst others apply general global developments to mental health care. They are not fixed forecasts, but instead may help to promote discussion and debate about further developments and decisions