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Resumen: Se determinaron las repercusiones biopsicosociales en población española afectada por un proceso de desahucio. Revisión panorámica en PubMed, Scopus, PsycINFO, CINAHL, LILACS, CSIC, MEDES, Scielo, Dialnet, Cuiden Plus y Cochrane hasta septiembre de 2018. La estrategia de búsqueda fue (Eviction OR “Home eviction” OR “Housing eviction” OR “Households at risk of eviction” OR Foreclosure) AND (“Health” OR “Mental Health” OR “Psychosocial impact” OR “Impacts on health” OR “Social impact indicators” OR “Social Determinants of Health” OR “Social Indicators”). Se seleccionaron 11 estudios con año de publicación en 2008 y posteriores, cuantitativos o cualitativos. Se midió la calidad y se organizaron los resultados atendiendo al modelo biopsicosocial. Desde el punto de vista físico, se identificó una deficiente autopercepción de la salud y aumentaron las enfermedades crónicas, el dolor y el consumo de fármacos. Psicológicamente, se detectaron pensamientos negativos, emociones recurrentes y aumento de ansiedad, depresión, trastorno mental y estrés postraumático. Socialmente, se describe una afectación de la familia, la descendencia y la persona avalista, así como del sistema sanitario con más visitas médicas y a urgencias. Se identificaron peores indicadores en las mujeres respecto a dolor de cabeza, tabaquismo, autopercepción del estado de salud general, salud mental y malestar mental (mayor depresión, ansiedad y otros tipos de malestar psicológico), y peor autopercepción de la salud en las hijas frente a los hijos. Es necesario un abordaje desde la salud pública, vigilancia epidemiológica, protocolos de actuación y programas de salud para asesorar, diagnosticar, prevenir, proteger y promover la salud de la población afectada. Abstract: The biopsychosocial consequences in Spanish population affected by an eviction process were described in this paper. A scoping review was conducted, consulting the following databases: PubMed, Scopus, PsycINFO, CINAHL, LILACS, CSIC, MEDES, Scielo, Dialnet, Cuiden Plus and Cochrane. The search strategy was (Eviction OR “Home eviction” OR “Housing eviction” OR “Households at risk of eviction” OR Foreclosure) AND (“Health” OR “Mental Health” OR “Psychosocial impact” OR “Impacts on health” OR “Social impact indicators” OR “Social Determinants of Health” OR “Social Indicators”).Eleven articles published between 2008 and September 2018 were selected. They followed a quantitative or qualitative methodology. The research quality was measured, and the results were organized according to the biopsychosocial model. From the physical perspective, results described a poor self-perception of health, as well as an increase of chronic diseases, pain, drug consumptions. From the psychological perspective, it was found negative thoughts, recurrent emotions and increased anxiety, depression, mental disorder and post-traumatic stress. From the social perspective, it was found that family, the offspring and the guarantor were affected, as well as the health system with greater medical visits and emergencies. This review showed worse health indicators among women, such as a headache, smoking habits, worse self-perception of health and more mental health disorders (depression, anxiety and other types of psychological distress). Daughters revealed worse self-perception of health than sons. It is necessary an approach from public health, epidemiological surveillance, action protocols and health programs, to advise, diagnose, prevent, protect and promote the health of the Spanish population affected.

Basaran, Murat Alper/0000-0001-9887-5531 WOS: 000460758200048 In this theoretical study, calculations for the three types of the tetrazole which are 2-(1H-Tetrazole-5-yl)-3-phenylacrylonitrile, 2-(1H-Tetrazole-5-yl)-3-(4-nitrophenylacrylonitrile), and 2-(1H-Tetrazole-5-yl)-3-(4-hydroxyphenyl acrylonitrile) showing the corrosion inhibition efficiency on mild steel in 1M HCl were carried out with the Density Functional Theory (DFT) at the B3LYP functionals with the use of 6-311g (d, p) basis set. Calculated parameters such as E-HOMO, E-LUMO, energy gap, electronegativity (chi), chemical potential (mu), hardness (eta), softness (S), electrophilicity, electrofugality, nucleofugality, Proton affinity, polarizability and hyperpolarizability. The correlation and regression analysis have been conducted to determine which descriptors have effect on inhibition efficiency. Both the theoretical results and experimental data are in accordance based on the inhibition efficiency.

We examined perceived ingroup and outgroup victimhood beliefs across group status and how these were uniquely associated with ingroup and outgroup attitudes and attribution of responsibility among majority (Turkish, N = 141) and minority (Kurdish, N = 86) group members in Turkey. We further explored whether the extent to which collective victimhood beliefs were shared via ingroup and outgroup members predicted our dependent measures beyond the subjective perception of ingroup victimhood. Findings showed that both groups perceived higher ingroup victimhood compared to outgroup victimhood and this difference was more pronounced among the minority group. Perceived outgroup victimhood beliefs, compared to ingroup victimhood beliefs, were more closely related to intergroup outcomes, and led to more positive outgroup and more negative ingroup outcomes. Both groups shared collective victimhood beliefs more with their ingroup friends than their outgroup friends and ingroup sharing of collective victimhood was a stronger predictor of intergroup outcomes, relating to more positive ingroup and more negative outgroup outcomes. Outgroup sharing of collective victimhood was related to more positive outgroup attitudes and lower ingroup responsibility among the Turkish group, whereas it was not related to outgroup attitudes and negatively related to ingroup attribution of responsibility among the Kurdish group. Practical and theoretical implications of the findings were discussed. Publisher's Version

A novel metal-organic planar NiS4 - type complex, trans- Ni(II)-bis[O-(2-butoxyethyl)-(4-methoxyphenyl)dithiophosphonate], was synthesized by the reaction of ammonium salt of O-dithiophosphonic acid with Ni(CH3COO)2. The crystal structure of Ni(II)-complex was determined by X-ray Diffraction (XRD) analysis. As a result of the X-ray crystal and molecule structure analyses of the studied trans- Ni(II)-complex, it was obtained that the central nickel atom is coordinated by four sulphur atoms in slightly distorted a square-planar geometry. The X-ray structure confirms a trans isomer of the Ni(II)-complex. The Ni(II)-complex crystallizes in the monoclinic space group C12/c1 with unit cell parameters a 22.376(3) (Å), b 18.466(3) (Å) and c 8.6875(13) (Å). In addition, theoretical calculations with the basis set of B3LYP/6-311 + G(2d,p) are performed to determine the structural properties, FT-IR, NMR spectrum, electronic properties and NBO analysis of the compound. The experimental and computed results of the Ni(II)-complex were found to be in good agreement. © 2018 Elsevier B.V.

With increasing frequency, people are using social media sites to obtain timely information about the world's grand challenges and this phenomenon is amplified during crises. However, little research has been conducted to determine how people participate and how their involvement can be promoted on social media sites, although the critical role played by those sites has been well documented. Based on the theory of planned behavior (TPB), this study develops and tests a theoretical model to establish the effect of several factors with survey data collected during the COVID-19 pandemic, in Saudi Arabia. The relationship was verified on a sample of 213 respondents active on Twitter, using Partial Least Square (PLS). The study found that attitude, perceived behavioural control and subjective norm affect Twitter users' active participation significantly within the context of a time of crisis. It also found a positive effect of utilitarian and hedonic values and trust. These results will provide a more comprehensive evaluation of Twitter users in grand challenges (and more specifically during a crisis) and furnish academics and managers with instructive guidance. © 2021 Elsevier Ltd

A new asymmetrical tripodal amine, [H3L2]Br3 containing morpholine moiety was prepared from reacting of one equivalent of N-(3-aminopropyl)morpholine and two equivalents of tosylaziridine, followed by detosylation with HBr/CH3COOH. The products were characterized by various spectroscopic methods such as FAB-MS, elemental analysis, 1H and 13C NMR spectroscopy. The crystal structure of the hydrobromide salt of the latter amine, [H3L2]Br3, was also determined. For triprotonated form of the ligand L2 we can consider several microspecies and/or conformers. A theoretical study at B3LYP/6-31G∗∗ level of theory showed that the characterized microspecies is the most stable microspecies for the triprotonated form of the ligand. It was shown that the experimental NMR data for [H3L2]Br3 in solution have good correlation with the corresponding calculated data for the most stable microspecies of [H3L2]3+ in the gas phase.

The results of combined experimental and theoretical study of substitutional and clustering effects in Bi-doped TiO2 hosts (bulk and thin-film morphologies) are presented. Bi-doping of the bulk and thin-film titanium dioxide was made with help of pulsed ion-implantation (E(Bi+) = 30 keV, D = 1 * 1017 cm-2) without posterior tempering. The X-ray photoelectron spectroscopy (XPS) qualification (core-levels and valence bands) and Density-Functional Theory (DFT) calculations were employed in order to study the electronic structure of Bi-ion implanted TiO2 samples. According to XPS data obtained and DFT calculations, the Bi -> Ti cation substitution occurs in Bi-implanted bulk TiO2, whereas in the thin-film morphology of TiO2:Bi the Bi-atoms have metal-like clusters segregation tendency. Based on the combined XPS and DFT considerations the possible reasons and mechanism for the observed effects are discussed. It is believed that established peculiarities of bismuth embedding into employed TiO2 hosts are mostly the sequence of pleomorphic origin for the formed "bismuth-oxygen" chemical bonding., 19 pages, 6 figures, accepted in Appl. Surf. Sci

Embargo de 24 meses, The paper deals with theoretical study of deformation of a ferrogel filled by magnetizable particles united in the chain-like aggregates. The sample is placed in a magnetic field parallel to the chains. Uniaxial elongation of the sample along the field is studied. Analysis shows that interaction of the particles in the chains and rupture of the chains by the elastic forces lead to non linear dependence of the macroscopical stress on the elongation strain. The theoretical results are in principle agreement with known experimental study of the ferrogels deformation., Russian Scientific Foundation. project 14-19-00989. MINECO, Spain; co-funded by ERDF, European Union. Project FIS2013-41821-R

Understanding how shopping experiences impact shoppers' well-being becomes one of the crucial issues for retailers. However, empirical research on that issue remains scarce. The current study endeavors to take an initial step towards identifying key antecedents as well as moderating conditions that explain how shopping experiences impact shoppers' well-being. Particularly, this study is the first to investigate the link between the concepts of shopping values and shopping well-being. More specifically, it investigates whether shopping well-being is more derived from hedonic or utilitarian values of shopping. The study also offers hypotheses regarding the potential moderating effects of shopper's gender and self-congruity in this newly established link. Investigating this link and some of its potential moderators is likely to contribute to the emerging research stream of shopping well-being. Further, the study investigates the effects of shopping well-being on key retailing outcomes, namely positive mall attitudes and word-of-mouth. Structural equation modeling is applied to data collected from shoppers in an urban North American shopping mall. The results show that hedonic value, but not utilitarian value, positively influences shopping well-being. Shopping well-being, in turn, positively influences both mall attitudes and positive word-of-mouth. Particularly, shopping well-being is a full mediator between hedonic value and mall attitudes as well as word-of-mouth. The results suggest a "shopping well-being biasing effect" in the link between utilitarian value and mall attitudes as well as word-of-mouth. Neither shopper's gender nor shopper's self-congruity are moderators. The study also discusses the theoretical and managerial implications of the findings as well as its limitations and directions for future research. 2016 Elsevier Ltd. Scopus

The aim of this study is to evaluate the impact of a bio-sourced polymer as a corrosion inhibitor against iron corrosion in a 1 M HCl solution. Galactomannan was obtained from the carob plant (Ceratonia Siliqua L) and its structure was verified by infrared spectroscopy (FTIR) and elemental analysis. The inhibitor concentration effects and immersion time on the resistance of the iron surface against corrosion are evaluated using impedance and polarization electrochemical measurements, UV-visible analysis and theoretical study. The results show that the galactomannan is a mixed type inhibitor act by physisorption and chemisorption on the metal surface. In addition, the efficiency of these compounds increases with increasing the concentration of the inhibitor and reaches a value of 87.72% at a concentration of 1 g/l. The electrode surface was characterized by SEM surface analysis method coupled with EDS., Electrochemistry, Food science, Corrosion inhibition; HCl Media; Galactomannan; Carob; Electrochemical measurements; Theoretical study

The adsorption of gas molecules (CO2, CH4, H2O, H2S and N2) on calcite (104) has been studied by means of Density Functional Theory for molecular characterization of Enhanced Gas Recovery (EGR) CO2 injection. Results show that the geometry of both the surface and gas were not affected by the adsorption, highlighting the physisorption nature of the process. On average, water adsorbs the strongest followed by hydrogen sulfide, because of hydrogen bonding, and carbon dioxide comes next. Finally, nitrogen adsorption is stronger in average when compared to methane, with a certain degree of complexity. In general, all the configurations’ energies can be found in a range of less than 0.4 eV for each adsorbate. Nevertheless, the larger affinity of CO2 confirms the suitability of CO2 injection for methane release in EGR operations. The stronger water adsorption compared to carbon dioxide (−0.91 eV versus −0.38 eV) gives a quantitative estimate of the impact of water as impurity. Further investigations need to address the issue of water impurity, since this aspect could dramatically hinder the application of the whole technique. Coverage studies of methane and carbon dioxide further highlight the affinity of the latter to the carbonate surface. The authors would like to acknowledge the support of Qatar National Research Fund (a member of Qatar Foundation) through Grant # NPRP10-0125-170235. The findings achieved herein are solely the responsibility of the authors. In addition, we would like to thank Texas A&M University in Qatar for the use of their computational resources. Scopus

WOS: 000355127300031, A new macrocyclic Schiff-base ligand, L, was synthesized by condensation reaction of 1,4-bis(2-formylphenyl) homopiperazine and 1,3-diaminopropane in acetonitrile. The Schiff-base ligand was characterized by using elemental analyses, IR, and mass spectroscopic techniques. Four new Ni(II), Cu(II), Co(II) and Zn(II) complexes of ligand, [NiLCl]ClO4, [CuLCl](ClO4), [CoLCl]ClO4 and [ZnLCl]ClO4 were prepared and characterized by elemental analyses and IR spectroscopy. X-ray crystal structure of [ZnLCl]ClO4 showed that the complex contains Zn(II) in a distorted square pyramidal geometry with a N4Cl core. In addition, structural parameters, vibration frequencies, frontier molecular orbitals (FMOs), UV bands and biological activity ranking of mentioned complexes are investigated as theoretically for all complexes. Computational studies of the relevant complexes are performed with the aid of density functional theory (DFT). (C) 2015 Elsevier B.V. All rights reserved., Faculty of Chemistry of Bu-Ali Sina University, Ministry of Science, Research and Technology of Iran; State of Planning Organization [2010K120480]; office of scientific research projects of Cumhuriyet University [F-426], We are grateful to the Faculty of Chemistry of Bu-Ali Sina University, Ministry of Science, Research and Technology of Iran for financial support and the Aksaray University, Science and Technology Application and Research Center, Turkey, for the use of the Bruker Smart Breeze CCD diffractometer (purchased under grant 2010K120480 of the State of Planning Organization). We are also grateful of the office of scientific research projects of Cumhuriyet University (Project No. F-426) for financial supports. This research is made possible by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure).

Rate coefficients for the reaction of Cl atoms with limonene (C10H16) were measured between 278–350 K and 800 Torr of N2, using the relative rate technique, with 1,3-butadiene (C4H6), n-nonane (C9H20), and 1-pentene (C5H10) as reference compounds. Cl atoms were generated by UV photolysis of oxalyl chloride ((COCl)2) at 254 nm. A gas chromatograph equipped with a flame ionization detector (GC-FID) was used for quantitative analysis of the organics. The rate coefficient for the reaction of Cl atoms with limonene at 298 K was measured to be (8.65 ± 2.44) × 10−10 cm3 molecule−1 s−1. The rate coefficient is an average value of the measurements, with two standard deviations as the quoted error, including uncertainties in the reference rate coefficients. The kinetic data obtained over the temperature range of 278–350 K were used to derive the following Arrhenius expression: k(T) = (9.75 ± 4.1) × 10−11 exp[(655 ± 133)/T] cm3 molecule−1 s−1. Theoretical kinetic calculations were also performed for the title reaction using conventional transition state theory (CTST) in combination with G3(MP2) theory between 275 and 400 K. The kinetic data obtained over the temperature range of 275–400 K were used to derive an Arrhenius expression: k(T) = (7.92 ± 0.82) × 10−13 exp[(2310 ± 34)/T] cm3 molecule−1 s−1. The addition channels contributes maximum to the total reaction and H-abstraction channels can be neglected in the range of studied pressures. The Atmospheric lifetime (τ) of limonene due to its reaction with Cl atoms was estimated and concluded that the reaction with chlorine atoms can be an effective tropospheric loss pathway in the marine boundary layer and in coastal urban areas.

We develop a theoretical analysis of two widely used regulations of genetic tests, Disclosure Duty and Consent Law, and we run an experiment in order to shed light on both the take-up rate of genetic testing and on the comparison of policyholders’ welfare under the two regulations. Disclosure duty forces individuals to reveal their test results to insurers, exposing them to a discrimination risk. Consent Law allows them to hide any detrimental information, resulting in adverse selection. The experiment results in much lower genetic tests take-up rates with Disclosure Duty than with Consent Law, showing that subjects are very sensitive to the discrimination risk. Under Consent Law, take-up rates increase with the adverse selection intensity. A decrease in the test cost, and in adverse selection intensity, both make it more likely that Consent Law is preferred to Disclosure Duty. © 2019 Elsevier B.V.

The static and dynamic pressure-concentration isotherms (PCIs) of MmNi5-xAlx (x = 0, 0.3, 0.5 and 0.8) hydrides were measured at different temperatures using volumetric method. The effect of Al substitution on PCI and thermodynamic properties were studied. The plateau pressure and maximum hydrogen storage capacity decreased with Al content whereas reaction enthalpy increased. The plateau pressure, plateau slope and hysteresis effect was observed more for dynamic PCIs compared to static PCIs. Different mathematical models used for metal hydride-based thermodynamic devices simulation are compared to select suitable model for static and dynamic PCI simulation of MmNi5-based hydrides. Few important physical coefficients (partial molar volume, reaction enthalpy, reaction entropy, etc.) useful for development of thermodynamic devices were estimated. A relation has been proposed to correlate aluminium content and physical coefficients for the prediction of unknown PCI. The simulated and experimental PCIs were found matching closely for both static and dynamic conditions. � 2014 Hydrogen Energy Publications, LLC. All rights reserved.

La publicación de la quinta edición del DSM ha avivado un debate iniciado tiempo atrás, desde el anuncio de los cambios en los criterios de diagnóstico propuestos por la APA. En este artículo se analizan algunas de estas modificaciones. Se plantean aspectos interesantes y acertados, como la inclusión de la dimensionalidad tanto en las clases diagnósticas como en algunos trastornos, la incorporación de un espectro obsesivo-compulsivo o la desaparición de los subtipos de esquizofrenia. También se analizan otros aspectos más controvertidos como la consideración del síndrome de psicosis atenuada, la descripción de un trastorno depresivo persistente, la reordenación en trastornos de síntomas somáticos los clásicos trastornos somatoformes, o el mantenimiento de los tres grandes grupos de trastornos de la personalidad,siempre insatisfactorios, junto con un planteamiento anunciado, pero marginal, de la perspec-tiva dimensional de las alteraciones de la personalidad. La nueva clasificación del DSM-5 abrenumerosos interrogantes acerca de la validez que se pretende mejorar en el diagnóstico, enesta ocasión, asumiendo un planteamiento más cercano a la neurología y la genética que a lapsicopatología clínica., The publication of the fifth edition of the DSM has intensified a debate begun some time agowith the announcement of the changes in diagnostic criteria proposed by the APA. This article analyzes some of these modifications. Some interesting points where it is right, such as the inclusion of dimensionality in both diagnostic classes and in some disorders, the inclusion of an obsessive-compulsive spectrum, and the disappearance of subtypes of schizophrenia. It also analyzes other more controversial points, such as the consideration of the attenuated psychosis syndrome, the description of a persistent depressive disorder, reorganization of the classic somatoform disorders as somatic symptom disorders, or maintenance of three large clusters of personality disorders, always unsatisfactory, along with an announced, but marginal, suggestion of the dimensional perspective of personality impairments. The new DSM-5 classification opens many questions about the diagnostic validity which it attempts to improve, this time taking an approach nearer to neurology and genetics than to clinical psychology.

The processes underlying psychotherapeutic change have increasingly been emphasized in both research and clinical practice. Nonlinear dynamical systems theory (NDS) offers a transdisciplinary scientific approach to the study of these processes. This paper introduces the NDS concept of “emotional inertia”, the property of human emotion by which it retains its course so long as it is not acted upon by an external force, as a key to understanding moment-by-moment and also longer-term change processes within psychotherapy. A testable mathematical model of emotional inertia is presented that represents specific impacts of psychotherapeutic processes on emotional dynamics over time. Emotional trajectories in phase space, treatment energy, and the interaction between them are the essential elements of the model, and a detailed explanation is provided. Procedures for testing this model are described, such as by tracking the movement of emotion in phase space within and across therapy sessions, along with clinical implications of the model, which can potentially help to make more clear the complementary roles of therapeutic force, timing, and leverage. La importancia de los procesos subyacentes al cambio psicoterapéutico se ha ido enfatizando de forma creciente tanto en la investigación como en la práctica clínica. La Teoría de los sistemas dinámicos no lineales (TSD) permite una aproximación científica transdisciplinar para el estudio de dichos procesos. Este artículo presenta el concepto de “inercia emocional” derivado de la TSD, es decir, la propiedad de la emoción humana por la cual ésta sigue su curso mientras no incida en ella una fuerza externa, como clave para la comprensión de los procesos de cambio en la psicoterapia, tanto a corto como a largo plazo. Se presenta un modelo matemático contrastable que representa los impactos específicos de los procesos terapéuticos en la dinámica emocional a lo largo del tiempo. Los elementos esenciales del modelo son las trayectorias emocionales en el espacio de fase, la energía del tratamiento y la interacción entre ambos, y se ofrece una explicación detallada de los mismos. Se describen algunos procedimientos para contrastar el modelo, como monitorizar el movimiento emocional dentro y a través de las sesiones terapétuticas, así como sus posibles aplicaciones clínicas, que pueden potenciar el papel complementario de la fuerza y el momento de la intervención. Open Access funded by Asociación Española de Psicología Conductual

Mental health theory and practice are in a state of significant flux. This theoretical article places the position taken by the British Psychological Society Division of Clinical Psychology (DCP) in the context of current practice and seeks to critically examine some of the key factors that are driving these transformations. The impetus for a complete overhaul of existing thinking comes from the manifestly poor performance of mental health services in which those with serious mental health problems have reduced life expectancy. It advocates using the advances in our understanding of the psychological, social and physical mechanisms that underpin psychological wellbeing and mental distress, and rejecting the disease model of mental distress as part of an outdated paradigm. Innovative research in genetics, neuroscience, psychological and social theory provide the platform for changing the way we conceptualise, formulate and respond to psychological distress at both community and individual levels.

Over the last few years, university policy in developed countries has placed too much emphasis on assessing publications on the basis of the impact factor. Any scientific material that has not been published in a journal indexed in the Journal Citation Reports is academically irrelevant. Hence, researchers strive hard to publish in such journals. Failure to achieve this means not having a successful career or receiving any academic recognition. A thorough analysis of the effects of this phenomenon on the researcher community leads to the conclusion that the overestimation of the impact factor is likely to cause disappointment among many researchers. Researchers only have two options: adopting a politically correct behavior, that is, following the “impact factor style of thinking”, or accepting the futility of their research regardless of its relevance. This is an example of the involvement of university policy habitus obsessed impact index. O policy impact index is accepted, or is doomed to academic ostracism, and exclusion from participation in all university policy En la cultura política universitaria de los países desarrollados se ha hecho en los últimos años demasiado énfasis en la valoración de las revistas con índice de impacto. Toda publicación que no sea incluida en una revista con índice de impacto es académicamente irrelevante. Por ello, los investigadores centran todo su esfuerzo y recursos en publicar en dichas revistas. Si no lo hacen así, no tendrán ni carrera profesional ni reconocimiento académico. El análisis de esta realidad concluye que esté exagerado el énfasis de los investigadores en la sobrevaloración de la cultura del índice de impacto, lo cual ha podido generar desilusión y desencanto en muchos investigadores. A estos investigadores sólo les quedan dos opciones, o hacer lo políticamente correcto, que es tener un “estilo de pensamiento índice de impacto” o condenar a la inutilidad organizacional todo su trabajo, por importante que sea. Todo esto constituye un ejemplo de la implicación del habitus de una política universitaria obsesionada por el índice de impacto. O se acepta la política del índice de impacto o se está condenado al ostracismo académico y a la exclusión de la participación en toda política universitaria SI

Bayat, Mehdi/0000-0002-5032-6522; Valencia, Laura/0000-0003-0420-4441; keypour, Hassan/0000-0001-9973-241X WOS: 000318958700016 A new macrocyclic Schiff base ligand, L, was synthesized by the condensation reaction of 1,4-bis(2-formylphenyl)piperazine and 1,4-diaminobutane in acetonitrile. The Schiff base ligand was characterized by elemental analysis, IR and mass spectroscopy. Three new Co(II), Cu(II) and Zn(II) complexes, [COL(NO3)]-ClO4, [CuL(NO3)]ClO4 and [ZnL(NO3)]ClO4, were prepared and characterized by elemental analysis, IR, FAB-MS, conductivity measurements and in the case of [ZnL(NO3)]ClO4 by H-1 NMR spectroscopy. The X-ray crystal structure of [CoL(NO3)]ClO4 showed that the complex contains Co(II) in a distorted octahedral geometry with an N4O2 core. Also, theoretical studies on the interaction of the nitrate ion and metal ions were carried out. (C) 2012 Elsevier Ltd. All rights reserved. Faculty of Chemistry of Bu-Ali Sina University; Ministry of Science, Research and Technology of Iran We are grateful to the Faculty of Chemistry of Bu-Ali Sina University, Ministry of Science, Research and Technology of Iran for financial support.

The paper deals with the theoretical study of the effect of chain-like aggregates on diffusion and magnetophoretic transport in ferrofluids. Analysis shows that the appearance of the chains leads to a strong anisotropy of the diffusion transport-the coefficient of diffusion in the direction of applied magnetic field is significantly more than that in the perpendicular direction. The presence of the chains in a ferrofluid strongly affects the coefficient of the particle magnetophoresis. © 2012 Elsevier B.V. All rights reserved.

Spray cooling, as a high efficient and energy-saving cooling method, is expected to be a competitive cooling solution for large-scale electronic device in the future. Lots of theoretical and experimental research on spray cooling has been done till now. But there is rarely integrative study focusing on the influence of the spray inclination change on spray cooling. This paper first deduces in detail the boundary curvilinear equation of the spraying action area with different spray inclination angles and the formula of the actual flow in the target area, then further realizes its algorithm on computers and the comparative analysis of typicalresults. The conclusion will be instructive to the experimental research and the engineering application of the spray cooling.

This paper presents the results of 15 experimental tests on rectangular slender reinforced concrete (RC) beams. The results reveal limitations in existing theoretical formulations to estimate the failure moment capacity and mode of failure. An improved theoretical formulation is proposed here to predict the critical buckling moment including effects related to nonlinearity and cracking of concrete. Also, following the trends in steel design, an improved measure of slenderness ratio is proposed. Based on a study of 72 test results, it is shown that there is an interaction between flexural tension and instability modes of failure in moderately slender beams. To avoid lateral instability failure, it is suggested that the slenderness ratio be limited to unity. A 'moment reduction factor' is also proposed to account for slenderness effects in RC beams. � 2011 Elsevier Ltd.

CO2 capture with alkanolamines has been in use since 1930, where MEA is the most studied absorbent for postcombustion. In order to prevent degradation, it is important to understand the degradation mechanisms, which in turn requires knowledge of both stoichiometry and kinetics of the reactions. The stability of the degradation products is a starting point when exploring possible mechanisms, and can be determined from the Gibbs free energy of the net reaction. In the present work, quantum mechanical calculations and continuum solvation models are used to calculate the reaction energy for different oxidative degradation reactions and to verify the suggested mechanism for thermal degradation of MEA with CO2. The suggested total reaction mechanisms for thermal degradation with CO2 were found to be energetically favorable, and oxalic acid, oxalamide and 1-(2-hydroxyethyl)-imidazole (HEI) were found to be of the most probable oxidative degradation products.

This paper briefly reviews current design research studies. Taking current design research programmes in China as case studies, the paper criticises the programmes as they lack a balance between theoretical study and design practice. The paper identifies the need for change – reform – in design research studies in a country which faces continuous social, economical and industrial changes. It then discusses the advantages, limitations, difficulties, opportunities, and possibilities of having this balance in design research studies. By proposing some directions for the programme implementation and further development, the paper expects to stimulate further investigations and discussions in order to bring a higher quality of design research studies.

We construct a theoretical framework to study the impact of quality standards for used durable goods on trade flligatureows, profiligaturets and consumer welfare. We show that asymmetric quality standards generate trade in used goods from high- to low-standard countries while at the same time reducing trade in new goods. Producers in the exporting country benefiligaturet from this change while consumers lose. In the importing country consumers are better off but domestic industry is hurt. These filigaturendings suggest that quality standards on used goods may be a powerful policy tool whose use should be monitored by the WTO. © 2008 Elsevier B.V. All rights reserved. 75 268 282 268-282

Presently, tanneries in Tamilnadu, India are required to segregate the effluent of soaking and pickling sections from other wastewater streams and send it to shallow solar pans for evaporation to avoid land pollution. A large area of solar pans is required for evaporating the water in the effluent at salt concentration in the range of 4-5%. An experimental study has been made by using fibre reinforced plastic flat plate collector (FRP-FPC) and spray system in a pilot plant with a capacity to handle 5000 l per day, which increases the evaporation rate. After increasing the salt concentration level to near saturation limit, the concentrated liquid was sent to conventional solar pans for its continued evaporation and recovery of salt. In this improved system, the rate of evaporation was found to be 30-40% more than that in the conventional solar pans. The performance is compared with the theoretically simulated performance. � 2007 Elsevier Ltd. All rights reserved.

We report the Synthesis of first generation dendritic homopolymers consisting of either poly(butadiene) (PB) of 1,4-microstructure or poly(isoprene) enriched in 3,4-microstructure (at least 55% PI3,4). The main aspect was the synthesis of polymers exhibiting high molecular and compositional homogeneity. The preparation of these materials was achieved via anionic polymerization techniques in combination with chlorosilane chemistry. The molecular characterization of the final dendritic materials was made via size exclusion chromatography (SEC), membrane osmometry (MO), dilute solution viscometry and H-1 nuclear magnetic resonance (NMR) spectroscopy, leading to the conclusion that they can be considered as model polymers. The conformational properties of the synthesized dendritic polymers were studied by means of analytical theory and Monte Carlo simulations using coarse graining models with the same number of segments. The radii of gyration and the length of the branches of zeroth and first generations were calculated via lattice, off-lattice algorithms, and renormalization group techniques. The theoretical findings were compared with the respective results of star polymers with the same functionality and equivalent branch lengths. (c) 2006 Elsevier Ltd. All rights reserved. Polymer

Basin-scale transport of reactive solute species is studied through a class of stochastic models, termed mass response functions, which incorporate simplified concepts of chemical, physical or biological nonequilibrium kinetics into the theory of the hydrologic response. Here we examine the development of the field since its inception dealing with empirical approaches, a subject to which Giuseppe Bendoricchio actively contributed, and conclude that a coherent theoretical framework now exists that allows to address large-scale transport problems for catchment studies where geomorphological and hydrological complexity is not simply ignored. © 2004 Elsevier B.V. All rights reserved.

Dutch legislation on the reuse of soil requires a sampling strategy to determine the degree of contamination. This sampling strategy was developed in three stages. Its main aim is to obtain a single analytical result, representative of the true mean concentration of the soil stockpile. The development process started with an investigation into how sample pre-treatment could be used to obtain representative results from composite samples of heterogeneous soil stockpiles. Combining a large number of random increments allows stockpile heterogeneity to be fully represented in the sample. The resulting pre-treatment method was then combined with a theoretical approach to determine the necessary number of increments per composite sample. At the second stage, the sampling strategy was evaluated using computerised models of contaminant heterogeneity in soil stockpiles. The now theoretically based sampling strategy was implemented by the Netherlands Centre for Soil Treatment in 1995. It was applied to all types of soil stockpiles, ranging from clean to heavily contaminated, over a period of four years. This resulted in a database containing the analytical results of 2570 soil stockpiles. At the final stage these results were used for a thorough validation of the sampling strategy. It was concluded that the model approach has indeed resulted in a sampling strategy that achieves analytical results representative of the mean concentration of soil stockpiles. A sampling strategy that ensures analytical results representative of the mean concentration in soil stockpiles is presented and validated. © 2004 Elsevier Ltd. All rights reserved.

An efficient and simple one-pot procedure for selective etherification of 2-aryl-ethylalcohols has been achieved through Amberlyst 15-catalyzed reaction in dimethyl carbonate (DMC). Moreover, the polymer catalyst could be recovered and reused with no effect on its activity. The reaction mechanism involves the formation of phenonium ion which has been demonstrated by a C-C bond forming reaction. Theoretical studies are in agreement with and thus explain experimental results. (C) 2013 Elsevier Ltd. All rights reserved.

A simple method is proposed to design PI/PID controllers for stable first-order plus time delay (FOPTD) systems. The method is based on matching the coefficient of corresponding powers of s in the numerator and that in the denominator of the closed loop transfer function for a servo problem. This method gives simple equations for the controller settings in terms of the FOPTD model parameters. Simulation results show that the method gives a similar response as that of Ziegler-Nichols (Z-N) method and better response than that of IMC method. Controllers are also designed by using two tuning parameters and the performance is best when compared to that of Z-N [ASME Trans. 64 (1942) 759] and Abbas [ISA Trans. 36 (1997) 183]. The controller settings give a robust performance for uncertainty in the process model parameters. The method is also extended to design PI/PID controllers for an unstable FOPTD system. Simulation results show that the present method gives improved performances: (i) for PID controllers over that of the controllers designed by Huang and Chen [J. Chem. Eng. Jpn. 32 (1999) 579], IMC method and that proposed by Visioli [IEE Proc. CTA 148 (2001) 180] and (ii) for PI controllers over the method of Jung et al. [J. Process Contr. 9 (1999) 265]. Theoretical analysis of stability and robustness of the proposed controller are also provided. ? 2004 Elsevier Ltd. All rights reserved.

In this Letter, we use the recently introduced perturbed matrix method (PMM) to study in detail the electronic properties of formaldehyde in water, as obtained by applying this method to Molecular Dynamics simulation data. Results show that PMM provides an accurate description at relatively low computational costs.

We present four distinct features of the energy relaxation after switching off a small heat perturbation at very low temperatures in charge density wave- and spin density wave systems which demonstrate the glassy nature of their ground state. The nonexponential decay shows the evolving &laquo ; aging effect&raquo ; with a crossover between a non-equilibrium and a thermodynamical equilibrium. This relaxation is thermally activated with the activation energy of ∼ 1-2 K, depending also on the duration of the perturbation

7-Methoxyisochroman-4-one(IIl), synthesised from m-methoxybenzyl alcohol, is converted into raoemic 3-methoxy-7-oxaestra-1,3,5(10), 8-tetraen-17(e)-ol(IX).

4-Oxo-4,5,6,7-tetrahydrothianaphthene(I) is converted into racemic A-nor-3-thiaestra-1,5(10),6,8,14-pentaen-17(e)-01(IX) and A-nor-3-thiaestra-1,5(10),8,14-tetraen-17(e)-01 (VIII).

The Ten Hoopen-Reuver model of neuronal firings, as modified by Osaki and Vasudevan, is studied with special reference to the general properties of the non-renewal point process generated by the neuronal firings. An explicit formula for the stationary product density of degree two of the neuronal firings is derived.

Thermal decomposition of steroidal 5α,8α-peroxides (such as 1) resulted in bisfragmentation of the C(5)-C(10) and C(8)-C(9) bonds, and elimination of acetic acid, to produce a new type of bicyclic compounds, namely 5,10;8,9-diseco-steroid derivatives (such as 2). some chemical transformations of product 2 are described.

The title compound, has been synthesized in ten steps in an overall yield of 2%.

FIy ash from fluidised bed combustion of bituminous coals contains carbonaceous cenospheres of several forms including thick-walled opaque, transparent with a skeletal structure and 'balloons' without skeletons. The influence on cenosphere formation of particle size, temperature, heating rate, petrographic composition, etc. is reviewed. The probability of cenospheres surviving beyond the combustion zone under typical FBC conditions is estimated. Particles from experimental and industrial scale combustors were examined. Differences in chemical composition within single cenospheres were demonstrated and concentrations of major-, trace-elements and PAHs were measured. The possible significance of cenospheres in the environment is discussed.

A set of equations is presented suitable for the activation analysis of fast ionic conductances according to the Hodgkin-Huxley model. Both the order and the time constant of the activation process can be evaluated. The method has been especially developed for the analysis of tracings whose rising phase is incomplete or contaminated, and is based on the observation that the peak co-ordinates of a transient current (time-to-peak and peak amplitude) retain all information regarding the current development. Compared to the least-squares method, the procedure illustrated is more simple, at least as precise, and has proved to be successful with experimental tracings in which the least-squares analysis failed.

An age-dependent two stage model for carcinogenesis is proposed. Explicit expressions for the expected number of normal, intermediate, and malignant cells for a specific form of age-dependent birth rate and constant death rate are obtained, and methods of obtaining the second moments of the different types of cells are indicated. Upper bounds for the hazard functions are arrived at for both one mutation and two mutation models. A brief discussion comparing the results of an earlier model of Moolgavkar and Venzon is also provided. ? 1981.

A new procedure for the synthesis of 3-functionally substituted coumarins via sequential Claisen and ene reactions of δ-aryloxymethylacrylic acids and anophiles has been developed.