Studies in molecular dynamics: new criteria for evaluation of intramolecular force fields

The present thesis deals with some studies in molecular dynamics using spectroscopic data. Two new approximation procedures the variable method and the average bonding energy criterion have been developed for a reliable calculation of molecular force fields and applied to several molecular species belonging to the xy2 type.

Depth wise variation of microbial load in the soils of midland region of Kerala: a function of important soil physicochemical characteristics and nutrients

Soil microorganisms play a main part in organic matter decomposition and are consequently necessary to soil ecosystem processes maintaining primary productivity of plants. In light of current concerns about the impact of cultivation and climate change on biodiversity and ecosystem performance, it is vital to expand a complete understanding of the microbial community ecology in our soils. In the present study we measured the depth wise profile of microbial load in relation with important soil physicochemical characteristics (soil temperature, soil pH, moisture content, organic carbon and available NPK) of the soil samples collected from Mahatma Gandhi University Campus, Kottayam (midland region of Kerala). Soil cores (30 cm deep) were taken and the cores were separated into three 10-cm depths to examine depth wise distribution. In the present study, bacterial load ranged from 141×105 to 271×105 CFU/g (10cm depth), from 80×105 to 131×105 CFU/g (20cm depth) and from 260×104 to 47×105 CFU/g (30cm depth). Fungal load varies from 124×103 to 27×104 CFU/g, from 61×103 to110×103 CFU/g and from 16×103 to 49×103 CFU/g at 10, 20 and 30 cm respectively. Actinomycetes count ranged from 129×103 to 60×104 CFU/g (10cm), from 70×103 to 31×104 CFU/g (20cm) and from 14×103 to 66×103 CFU/g (30cm). The study revealed that there was a significant difference in the depthwise distribution of microbial load and soil physico-chemical properties. Bacterial, fungal and actinomycetes load showed a decreasing trend with increasing depth at all the sites. Except pH all other physicochemical properties showed decreasing trend with increasing depth. The vertical profile of total microbial load was well matched with the depthwise profiles of soil nutrients and organic carbon that is microbial load was highest at the soil surface where organics and nutrients were highest

Acoustic Structure Interaction For Floating Structure Under Moving Load

The present thesis concentrates largely on sound radiation from floating structure due to moving load

Reducing Vibrio load in Artemia nauplii usingantimicrobial photodynamic therapy: a promising strategy to reduce antibiotic application in shrimp larviculture

We propose antimicrobial photodynamic therapy (aPDT) as an alternative strategy to reduce the use of antibiotics in shrimp larviculture systems. The growth of a multiple antibiotic resistant Vibrio harveyi strain was effectively controlled by treating the cells with Rose Bengal and photosensitizing for 30 min using a halogen lamp. This resulted in the death of > 50% of the cells within the first 10 min of exposure and the 50% reduction in the cell wall integrity after 30 min could be attributed to the destruction of outer membrane protein of V. harveyi by reactive oxygen intermediates produced during the photosensitization. Further, mesocosm experiments with V. harveyi and Artemia nauplii demonstrated that in 30 min, the aPDT could kill 78.9% and 91.2% of heterotrophic bacterial and Vibrio population respectively. In conclusion, the study demonstrated that aPDT with its rapid action and as yet unreported resistance development possibilities could be a propitious strategy to reduce the use of antibiotics in shrimp larviculture systems and thereby, avoid their hazardous effects on human health and the ecosystem at large.

Short-Term Load Forecast Of A Low Loadfactor Power System For Optimization Of Merit Order Dispatch Using Adaptive Learning Algorithm

Short term load forecasting is one of the key inputs to optimize the management of power system. Almost 60-65% of revenue expenditure of a distribution company is against power purchase. Cost of power depends on source of power. Hence any optimization strategy involves optimization in scheduling power from various sources. As the scheduling involves many technical and commercial considerations and constraints, the efficiency in scheduling depends on the accuracy of load forecast. Load forecasting is a topic much visited in research world and a number of papers using different techniques are already presented. The accuracy of forecast for the purpose of merit order dispatch decisions depends on the extent of the permissible variation in generation limits. For a system with low load factor, the peak and the off peak trough are prominent and the forecast should be able to identify these points to more accuracy rather than minimizing the error in the energy content. In this paper an attempt is made to apply Artificial Neural Network (ANN) with supervised learning based approach to make short term load forecasting for a power system with comparatively low load factor. Such power systems are usual in tropical areas with concentrated rainy season for a considerable period of the year

A Comparative Study Of Tensile And Microstructural Characteristics Of Friction Welded Joints And Conventionally Welded Joints Of Aluminium Alloy 6061

Welding of high strength and low weight materials like Aluminium Alloys without any defects by conventional welding techniques is a major challenge in industries. Hence research on solid state welding techniques like Friction stir welding and Friction welding techniques have got much importance in joining of Aluminium alloys. However most of the industries are not changing conventional techniques as skilled workers are available on that area. Most common conventional welding techniques used for joining of Aluminium alloys are Gas welding and Arc welding. Friction welding is a solid-state welding process that generates heat through mechanical friction between a moving and a stationary component with the addition of a lateral force called “upset” to plast ically displace and fuse the materials. In this work, experimental study on tensile and micro structural characteristics of welded joints formed from conventional welding techniques and Rotary friction welding(suitable for weld specimens with circular cross section) has been carried out and the same were compared. The process parameters for arc welding used was 50-70 Amp reverse polarity DC and electrodes of 2.3mm diameter. In Gas welding, the parameters were oxy acetylene neural flame at 3200°C and 3mm electrodes . In the case of friction welding an axial pressure loading of 3Mpa with 5 MPa as upsetting pressure and 500 rpm were used to obtain good welded joints. Tensile characteristic studies of Arc welded joints and Gas welded joints showed 48% and 60 % variations respectively from the maximum load bearing characteristics of parent metal. In the case of friction welded joint, the variation was found to 46%. Micro structural evaluation of conventionally welded joints exhibited clear distinct zones of various weld regions. In the case of friction welded joint micro structural photographs showed comparable features both in parent metal and welded region. Thus the tensile characteristic study and microstructure evaluations proved that friction welded joints are good in both aspects compared to conventionally welded joints.

Influence of the buffer environment on the Relative Biological Effectiveness of carbon ion radiation, investigated by Scanning Force Microscopy and gel electrophoresis

This work focuses on the analysis of the influence of environment on the relative biological effectiveness (RBE) of carbon ions on molecular level. Due to the high relevance of RBE for medical applications, such as tumor therapy, and radiation protection in space, DNA damages have been investigated in order to understand the biological efficiency of heavy ion radiation. The contribution of this study to the radiobiology research consists in the analysis of plasmid DNA damages induced by carbon ion radiation in biochemical buffer environments, as well as in the calculation of the RBE of carbon ions on DNA level by mean of scanning force microscopy (SFM). In order to study the DNA damages, besides the common electrophoresis method, a new approach has been developed by using SFM. The latter method allows direct visualisation and measurement of individual DNA fragments with an accuracy of several nanometres. In addition, comparison of the results obtained by SFM and agarose gel electrophoresis methods has been performed in the present study. Sparsely ionising radiation, such as X-rays, and densely ionising radiation, such as carbon ions, have been used to irradiate plasmid DNA in trishydroxymethylaminomethane (Tris buffer) and 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES buffer) environments. These buffer environments exhibit different scavenging capacities for hydroxyl radical (HO0), which is produced by ionisation of water and plays the major role in the indirect DNA damage processes. Fragment distributions have been measured by SFM over a large length range, and as expected, a significantly higher degree of DNA damages was observed for increasing dose. Also a higher amount of double-strand breaks (DSBs) was observed after irradiation with carbon ions compared to X-ray irradiation. The results obtained from SFM measurements show that both types of radiation induce multiple fragmentation of the plasmid DNA in the dose range from D = 250 Gy to D = 1500 Gy. Using Tris environments at two different concentrations, a decrease of the relative biological effectiveness with the rise of Tris concentration was observed. This demonstrates the radioprotective behavior of the Tris buffer solution. In contrast, a lower scavenging capacity for all other free radicals and ions, produced by the ionisation of water, was registered in the case of HEPES buffer compared to Tris solution. This is reflected in the higher RBE values deduced from SFM and gel electrophoresis measurements after irradiation of the plasmid DNA in 20 mM HEPES environment compared to 92 mM Tris solution. These results show that HEPES and Tris environments play a major role on preventing the indirect DNA damages induced by ionising radiation and on the relative biological effectiveness of heavy ion radiation. In general, the RBE calculated from the SFM measurements presents higher values compared to gel electrophoresis data, for plasmids irradiated in all environments. Using a large set of data, obtained from the SFM measurements, it was possible to calculate the survive rate over a larger range, from 88% to 98%, while for gel electrophoresis measurements the survive rates have been calculated only for values between 96% and 99%. While the gel electrophoresis measurements provide information only about the percentage of plasmids DNA that suffered a single DSB, SFM can count the small plasmid fragments produced by multiple DSBs induced in a single plasmid. Consequently, SFM generates more detailed information regarding the amount of the induced DSBs compared to gel electrophoresis, and therefore, RBE can be calculated with more accuracy. Thus, SFM has been proven to be a more precise method to characterize on molecular level the DNA damage induced by ionizing radiations.

Fliesslochformen und Gewindefurchen in dünne Bleche und Rohre aus Kupfer und Kupferlegierungen

This thesis in Thermal Flow Drilling and Flowtap in thin metal sheet and pipes of copper and copper alloys had as objectives to know the comportment of copper and copper alloys sheet metal during the Thermal Flow Drill processes with normal tools, to know the best Speed and Feed machine data for the best bushing quality, to known the best Speed for Form Tapping processes and to know the best bush long in pure copper pipes for water solar interchange equipment. Thermal Flow Drilling (TFD) and Form Tapping (FT) is one of the research lines of the Institute of Production and Logistics (IPL) at University of Kassel. At December 1995, a work meeting of IPL, Santa Catarina University, Brazil, Buenos Aires University, Argentine, Tarapacá University (UTA), Chile members and the CEO of Flowdrill B.V. was held in Brazil. The group decided that the Manufacturing Laboratory (ML) of UTA would work with pure copper and brass alloys sheet metal and pure copper pipes in order to develop a water interchange solar heater. The Flowdrill BV Company sent tools to Tarapacá University in 1996. In 1999 IPL and the ML carried out an ALECHILE research project promoted by the DAAD and CONICyT in copper sheet metal and copper pipes and sheet metal a-brass alloys. The normal tools are lobed, conical tungsten carbide tool. When rotated at high speed and pressed with high axial force into sheet metal or thin walled tube generated heat softens the metal and allows the drill to feed forward produce a hole and simultaneously form a bushing from the displacement material. In the market exist many features but in this thesis is used short and longs normal tools of TFD. For reach the objectives it was takes as references four qualities of the frayed end bushing, where the best one is the quality class I. It was used pure copper and a-brass alloys sheet metals, with different thickness. It was used different TFD drills diameter for four thread type, from M-5 to M10. Similar to the Aluminium sheet metals studies it was used the predrilling processes with HSS drills around 30% of the TFD diameter (1,5 – 3,0 mm D). In the next step is used only 2,0 mm thick metal sheet, and 9,2 mm TFD diameter for M-10 thread. For the case of pure commercial copper pipes is used for ¾” inch diameter and 12, 8 mm (3/8”) TFD drill for holes for 3/8” pipes and different normal HSS drills for predrilling processes. The chemical sheet metal characteristics were takes as reference for the material behaviour. The Chilean pure copper have 99,35% of Cu and 0,163% of Zinc and the Chilean a-brass alloys have 75,6% of Cu and 24,0% of Zinc. It is used two German a-brass alloys; Nº1 have 61,6% of Cu, 36,03 % of Zinc and 2,2% of Pb and the German a-brass alloys Nº2 have 63,1% of Cu, 36,7% of Zinc and 0% of Pb. The equipments used were a HAAS CNC milling machine centre, a Kistler dynamometer, PC Pentium II, Acquisition card, TESTPOINT and XAct software, 3D measurement machine, micro hardness, universal test machine, and metallographic microscope. During the test is obtained the feed force and momentum curves that shows the material behaviour with TFD processes. In general it is take three phases. It was possible obtain the best machining data for the different sheet of copper and a-brass alloys thick of Chilean materials and bush quality class I. In the case of a-brass alloys, the chemical components and the TFD processes temperature have big influence. The temperature reach to 400º Celsius during the TFD processes and the a-brass alloys have some percents of Zinc the bush quality is class I. But when the a-brass alloys have some percents of Lead who have 200º C melting point is not possible to obtain a bush, because the Lead gasify and the metallographic net broke. During the TFD processes the recrystallization structures occur around the Copper and a-brass alloy bush, who gives more hardness in these zones. When the threads were produce with Form Tapping processes with Flowtap tools, this hardness amount gives a high limit load of the thread when hey are tested in a special support that was developed for it. For eliminated the predrilling processes with normal HSS drills it was developed a compound tool. With this new tool it was possible obtain the best machining data for quality class I bush. For the copper pipes it is made bush without predrilling and the quality class IV was obtained. When it is was used predrilling processes, quality classes I bush were obtained. Then with different HSS drill diameter were obtained different long bush, where were soldering with four types soldering materials between pipes with 3/8” in a big one as ¾”. Those soldering unions were tested by traction test and all the 3/8” pipes broken, and the soldering zone doesn’t have any problem. Finally were developed different solar water interchange heaters and tested. As conclusions, the present Thesis shows that the Thermal Flow Drilling in thinner metal sheets of cooper and cooper alloys needs a predrilling process for frayed end quality class I bushings, similar to thinner sheets of aluminium bushes. The compound tool developed could obtain quality class I bushings and excludes predrilling processes. The bush recrystalization, product of the friction between the tool and the material, the hardness grows and it is advantageous for the Form Tapping. The methodology developed for commercial copper pipes permits to built water solar interchange heaters.

Modeling Robot Dynamic Performance for Endpoint Force Control

This research aims to understand the fundamental dynamic behavior of servo-controlled machinery in response to various types of sensory feedback. As an example of such a system, we study robot force control, a scheme which promises to greatly expand the capabilities of industrial robots by allowing manipulators to interact with uncertain and dynamic tasks. Dynamic models are developed which allow the effects of actuator dynamics, structural flexibility, and workpiece interaction to be explored in the frequency and time domains. The models are used first to explain the causes of robot force control instability, and then to find methods of improving this performance.

Applying the Lessons of “Lean Now” to Transform the US Aerospace Enterprise

Lean is common sense and good business sense. As organizations grow and become more successful, they begin to lose insight into the basic truths of what made them successful. Organizations have to deal with more and more issues that may not have anything to do with directly providing products or services to their customers. Lean is a holistic management approach that brings the focus of the organization back to providing value to the customer. In August 2002, Mrs. Darleen Druyun, the Principal Deputy to the Assistant Secretary of the Air Force for Acquisition and government co-chairperson of the Lean Aerospace Initiative (LAI), decided it was time for Air Force acquisitions to embrace the concepts of lean. At her request, the LAI Executive Board developed a concept and methodology to employ lean into the Air Force’s acquisition culture and processes. This was the birth of the “Lean Now” initiative. An enterprise-wide approach was used, involving Air Force System Program Offices (SPOs), aerospace industry, and several Department of Defense agencies. The aim of Lean Now was to focus on the process interfaces between these “enterprise” stakeholders to eliminate barriers that impede progress. Any best practices developed would be institutionalized throughout the Air Force and the Department of Defense (DoD). The industry members of LAI agreed to help accelerate the government-industry transformation by donating lean Subject Matter Experts (SMEs) to mentor, train, and facilitate the lean events of each enterprise. Currently, the industry SMEs and the Massachusetts Institute of Technology are working together to help the Air Force develop its own lean infrastructure of training courses and Air Force lean SMEs. The first Lean Now programs were the F/A-22, Global Hawk, and F-16. Each program focused on specific acquisition processes. The F/A-22 focused on the Test and Evaluation process; the Global Hawk focused on Evolutionary Acquisitions; and the F-16 focused on improving the Contract Closeout process. Through lean, each enterprise made many significant improvements. The F/A-22 was able to reduce its Operational Flight Plan (OFP) Preparation and Load process time of 2 to 3 months down to 7 hours. The Global Hawk developed a new production plan that increases the annual production of its Integrated Sensor Suite from 3 per year to 6 per year. The F-16 enterprise generated and is working 12 initiatives that could result in a contract closeout cycle time reduction of 3 to 7 years. Each enterprise continues to generate more lean initiatives that focus on other areas and processes within their respective enterprises.

Numerical comparison between Maxwell stress method and equivalent multipole approach for calculation of the dielectrophoretic force in octupolar cell traps

This work presents detailed numerical calculations of the dielectrophoretic force in octupolar traps designed for single-cell trapping. A trap with eight planar electrodes is studied for spherical and ellipsoidal particles using an indirect implementation of the boundary element method (BEM). Multipolar approximations of orders one to three are compared with the full Maxwell stress tensor (MST) calculation of the electrical force on spherical particles. Ellipsoidal particles are also studied, but in their case only the dipolar approximation is available for comparison with the MST solution. The results show that the full MST calculation is only required in the study of non-spherical particles.

Effects of memory load on visual search

Resumen tomado de la publicaci??n

The project of land restitution in Colombia: an illustration of the civilizing force of hypocrisy?

This article offers a theoretical interpretation of the dispositions on land restitution contained in the famous “Victims’ Bill”, which was debated in the Colombian Congress during the year 2008. The bill included specific mechanisms aimed at guaranteeing the restitution of land to victims of the Colombian armed conflict. At the time, the bill was endorsed by all the main political actors in the country –notably the government and the elites that support it, on the one hand, and victims’ and human rights organizations and other opposition groups, on the other–. The fact that the restitution of land to victims of the Colombian armed conflict was being considered as a serious possibility by all political actors in the country seemed to indicate the existence of a consensus among actors whose positions are ordinarily opposed, on an issue that has traditionally led to high levels of polarization. This consensus is quite puzzling, because it seems to be at odds with the interests and/or the conceptions of justice advocated by these political actors, and because the restitution of land faces enormous difficulties both from a factual and a normative point of view, which indicates that it may not necessarily be the best alternative for dealing with the issue of land distribution in Colombia. This article offers an interpretation of said consensus, arguing that it is only an apparent consensus in which the actors are actually misrepresenting their interests and conceptions of justice, while at the same time adopting divergent strategies of implementation aimed at fulfilling their true interests. Nevertheless, the article concludes that the common adherence by all actors to the principle of restorative justice might bring about its actual realization, and thus produce an outcome that, in spite (and perhaps even because) of being unintended, might substantively contribute to solving the problem of unequal land distribution in Colombia. Even though the article focuses in some detail on the specificities of the 2008 Bill, it attempts to make a general argument about the state of the discussion on how to deal with the issue of land distribution in the country. Consequently, it may still be relevant today, especially considering that a new Bill on land restitution is currently being discussed in Congress, which includes the same restitution goals as the Victims’ Bill and many of its procedural and substantive details, and which therefore seems to reflect a similar consensus to the one analyzed in the article.

Factores socio-demográficos, laborales y factores de riesgo ergonómicos relacionados con la aparición de síntomas osteomusculares de la actividad del bicitaxismo en una localidad de la ciudad de Bogotá (2014)

Resumen Objetivo: Determinar los factores socio-demográficos, laborales y los factores de riesgo ergonómico, relacionados con la aparición de síntomas osteomusculares de la actividad del Bicitaxismo en el barrio Toberín de la Localidad de Usaquén de la Ciudad Bogotá, para recomendar estrategias de prevención. Materiales y métodos: Estudio observacional descriptivo de corte transversal en 150 personas que trabajan en el Bicitaxismo. Se realizó un muestreo simple y aleatorio. La identificación de los factores asociados con síntomas osteomusculares se hizo mediante la aplicación de la metodología Ergopar (Ergonomía Participativa para la prevención de trastornos musculoesqueléticos de origen laboral), en el grupo de personas que trabajan en el Bicitaxismo. Se estimó la proporción de personas con trastornos músculo esqueléticos en este grupo de trabajadores y se exploró asociación mediante la prueba Chi cuadrado de Pearson o prueba exacta de Fisher, usando nivel de significación del 5%, con el programa SPSS 20. Resultados: Los resultados sugirieron que en el bicitaxismo hay asociación estadísticamente significativa con los factores de edad y aparición de dolor en espalda lumbar valor p (0,009), manos/muñecas valor p (0,001), piernas con un valor p (0,022), rodillas valor p (0,001), tiempo de trabajo con la aparición de dolor en codos valor p (0,013), horas de trabajo con la aparición de molestias en codos valor p (0,000), y en piernas valor p (0,002), Días de trabajo, con la aparición de molestias en manos/muñecas valor p (0,003), dolor en piernas valor p (0), y dolor en rodillas valor p (0,014), e igualmente exigencias físicas con la aparición de molestias en manos/muñecas valor p (0,002) y dolor en piernas con un valor p (0,044) Conclusión: Se evidenció asociación entre la actividad del bicitaxismo y la aparición de síntomas osteomusculares de molestia/dolor en los diferentes segmentos musculares, tales como espalda lumbar, codos, manos/muñecas, piernas y rodillas

Efectos fisiológicos de la termorregulación en trabajadores expuestos a altas temperaturas en una Siderúrgica en Colombia.

La exposición a altas temperaturas en ambientes laborales conlleva a cambios fisiológicos que se manifiestan como mecanismos de compensación a la alteración del equilibrio homeostático corporal. El propósito del presente estudio fue determinar los cambios y el comportamiento de variables fisiológicas a través de frecuencia cardiaca, densidad urinaria, temperatura corporal y tasa de sudoración, en dos escenarios con condiciones térmicas ambientales diferentes definidas por la exposición (grupo expuesto y no expuesto). Adicional, en dos áreas de trabajo diferentes correspondientes al proceso de fundición del acero, una de ellas, Horno electrico donde se hace la fusión de la chatarra y demás materias primas, obteniendo así el acero liquido, el cual se vuelca en el Horno Cuchara y en este, libre ya de escoria se realiza el afino y ajuste definitivo de la composición química del acero. Objetivos: Identificar la relación de las respuestas fisiológicas a carga física y térmica, comparar las respuestas funcionales registradas en el grupo expuestos y no expuestos y contribuir a la introducción de nuevos indicadores para evaluar carga e intensidad de trabajo con fines de normalización ergonómica. Método: Investigación experimental en una muestra de 30 trabajadores evaluados en dos condiciones ambientales diferentes. La temperatura oral se registró al inicio de la jornada y con intervalos de toma de 3 horas. La frecuencia cardiaca (HR) se registró durante las 8 horas de trabajo continuas con pulsometría. Igualmente, se estimó la sudoración por pérdida de masa corporal entre el inicio y el final de la jornada laboral teniendo en cuenta ingestas y perdidas. El procesamiento estadístico se realizó con el programa SPSS v. 20.0, calculándose medidas de tendencia central y dispersión, prueba de wilconxon para las variables dependientes y correlación para identificar asociaciones. Para todos los cálculos se asumió p <0,05. Resultados: No se observaron diferencias significativas frente a la variación de la frecuencia cardiaca (media y máxima), la tasa de sudoración y la densidad urinaria. A pesar de que no hubo diferencias significativas en la variación de la temperatura corporal en horno cuchara, si se observó una diferencia significativa en el horno eléctrico Conclusión: Aunque no se encontraron diferencias estadísticamente significativas en la mayoría de las variables, es un hecho que la exposición a temperaturas elevadas extremas tiene un impacto en el comportamiento fisiológico del organismo. Futuros estudios deben considerar la posibilidad de estandarizar protocolos que permitan la exposición térmica basada en el perfil particular de cada trabajador.