1. Ultrasonic studies of binary liquid structure in the critical region. Theory and experiment for the 2,6-lutidine/water system. 2. Hartree-Fock calculations of electric polarizabilities of some simple atoms and molecules, and their practicality. 3. Calculation of vibrational transition probabilities in collinear atom-diatom and diatom-diatom collisions with Lennard-Jones interaction

Part 1. Many interesting visual and mechanical phenomena occur in the critical region of fluids, both for the gas-liquid and liquid-liquid transitions. The precise thermodynamic and transport behavior here has some broad consequences for the molecular theory of liquids. Previous studies in this laboratory on a liquid-liquid critical mixture via ultrasonics supported a basically classical analysis of fluid behavior by M. Fixman (e. g., the free energy is assumed analytic in intensive variables in the thermodynamics)--at least when the fluid is not too close to critical. A breakdown in classical concepts is evidenced close to critical, in some well-defined ways. We have studied herein a liquid-liquid critical system of complementary nature (possessing a lower critical mixing or consolute temperature) to all previous mixtures, to look for new qualitative critical behavior. We did not find such new behavior in the ultrasonic absorption ascribable to the critical fluctuations, but we did find extra absorption due to chemical processes (yet these are related to the mixing behavior generating the lower consolute point). We rederived, corrected, and extended Fixman's analysis to interpret our experimental results in these more complex circumstances. The entire account of theory and experiment is prefaced by an extensive introduction recounting the general status of liquid state theory. The introduction provides a context for our present work, and also points out problems deserving attention. Interest in these problems was stimulated by this work but also by work in Part 3.

Part 2. Among variational theories of electronic structure, the Hartree-Fock theory has proved particularly valuable for a practical understanding of such properties as chemical binding, electric multipole moments, and X-ray scattering intensity. It also provides the most tractable method of calculating first-order properties under external or internal one-electron perturbations, either developed explicitly in orders of perturbation theory or in the fully self-consistent method. The accuracy and consistency of first-order properties are poorer than those of zero-order properties, but this is most often due to the use of explicit approximations in solving the perturbed equations, or to inadequacy of the variational basis in size or composition. We have calculated the electric polarizabilities of H₂, He, Li, Be, LiH, and N₂ by Hartree-Fock theory, using exact perturbation theory or the fully self-consistent method, as dictated by convenience. By careful studies on total basis set composition, we obtained good approximations to limiting Hartree-Fock values of polarizabilities with bases of reasonable size. The values for all species, and for each direction in the molecular cases, are within 8% of experiment, or of best theoretical values in the absence of the former. Our results support the use of unadorned Hartree-Pock theory for static polarizabilities needed in interpreting electron-molecule scattering data, collision-induced light scattering experiments, and other phenomena involving experimentally inaccessible polarizabilities.

Part 3. Numerical integration of the close-coupled scattering equations has been carried out to obtain vibrational transition probabilities for some models of the electronically adiabatic H₂-H₂ collision. All the models use a Lennard-Jones interaction potential between nearest atoms in the collision partners. We have analyzed the results for some insight into the vibrational excitation process in its dependence on the energy of collision, the nature of the vibrational binding potential, and other factors. We conclude also that replacement of earlier, simpler models of the interaction potential by the Lennard-Jones form adds very little realism for all the complication it introduces. A brief introduction precedes the presentation of our work and places it in the context of attempts to understand the collisional activation process in chemical reactions as well as some other chemical dynamics.

Development of a Cationic Mucic Acid Polymer-Based Nanoparticle siRNA Delivery System

Cancer chemotherapy has advanced from highly toxic drugs to more targeted treatments in the last 70 years. Chapter 1 opens with an introduction to targeted therapy for cancer. The benefits of using a nanoparticle to deliver therapeutics are discussed. We move on to siRNA in particular, and why it would be advantageous as a therapy. Specific to siRNA delivery are some challenges, such as nuclease degradation, quick clearance from circulation, needing to enter cells, and getting to the cytosol. We propose the development of a nanoparticle delivery system to tackle these challenges so that siRNA can be effective.

Chapter 2 of this thesis discusses the synthesis and analysis of a cationic mucic acid polymer (cMAP) which condenses siRNA to form a nanoparticle. Various methods to add polyethylene glycol (PEG) for stabilizing the nanoparticle in physiologic solutions, including using a boronic acid binding to diols on mucic acid, forming a copolymer of cMAP with PEG, and creating a triblock with mPEG on both ends of cMAP. The goal of these various pegylation strategies was to increase the circulation time of the siRNA nanoparticle in the bloodstream to allow more of the nanoparticle to reach tumor tissue by the enhanced permeation and retention effect. We found that the triblock mPEG-cMAP-PEGm polymer condensed siRNA to form very stable 30-40 nm particles that circulated for the longest time – almost 10% of the formulation remained in the bloodstream of mice 1 h after intravenous injection.

Chapter 3 explores the use of an antibody as a targeting agent for nanoparticles. Some antibodies of the IgG1 subtype are able to recruit natural killer cells that effect antibody dependent cellular cytotoxicity (ADCC) to kill the targeted cell to which the antibody is bound. There is evidence that the ADCC effect remains in antibody-drug conjugates, so we wanted to know whether the ADCC effect is preserved when the antibody is bound to a nanoparticle, which is a much larger and complex entity. We utilized antibodies against epidermal growth factor receptor with similar binding and pharmacokinetics, cetuximab and panitumumab, which differ in that cetuximab is an IgG1 and panitumumab is an IgG2 (which does not cause ADCC). Although a natural killer cell culture model showed that gold nanoparticles with a full antibody targeting agent can elicit target cell lysis, we found that this effect was not preserved in vivo. Whether this is due to the antibody not being accessible to immune cells or whether the natural killer cells are inactivated in a tumor xenograft remains unknown. It is possible that using a full antibody still has value if there are immune functions which are altered in a complex in vivo environment that are intact in an in vitro system, so the value of using a full antibody as a targeting agent versus using an antibody fragment or a protein such as transferrin is still open to further exploration.

In chapter 4, nanoparticle targeting and endosomal escape are further discussed with respect to the cMAP nanoparticle system. A diboronic acid entity, which gives an order of magnitude greater binding (than boronic acid) to cMAP due to the vicinal diols in mucic acid, was synthesized, attached to 5kD or 10kD PEG, and conjugated to either transferrin or cetuximab. A histidine was incorporated into the triblock polymer between cMAP and the PEG blocks to allow for siRNA endosomal escape. Nanoparticle size remained 30-40 nm with a slightly negative ca. -3 mV zeta potential with the triblock polymer containing histidine and when targeting agents were added. Greater mRNA knockdown was seen with the endosomal escape mechanism than without. The nanoparticle formulations were able to knock down the targeted mRNA in vitro. Mixed effects suggesting function were seen in vivo.

Chapter 5 summarizes the project and provides an outlook on siRNA delivery as well as targeted combination therapies for the future of personalized medicine in cancer treatment.

System error removal and structure optimization based on Fizeau interferometer

In the process of interferometric testing, the measurement result is influenced by the system structure, which reduces the measurement accuracy. To obtain an accurate test result, it is necessary to analyze the test system, and build the relationship between the measurement error and the system parameters. In this paper, the influences of the system elements which include the collimated lens and the standard surface on the interferometric testing are analyzed, the expressions of phase distribution and wavefront error on the detector are obtained, the method to remove some element errors is introduced, and the optimization structure relationships are given. (C) 2006 Elsevier GmbH. All rights reserved.

Kires: a data-centric telerehabilitation system based on kinect

185 p.

ETCS protokoloaren hedatzea simulazio hibridodun ingurune batean System-in-the-loop erreminta erabiliz.

[EU]Gaur egun, Europa mailan European Rail Traffic Management System (ERTMS) seinaleztapen-sistema bateratua hedatzen ari dira trenbide sare desberdinen arteko elkar eragintasuna bultzatzeko. Proiektu honen helburua da ERTMS sistemaren barneko ETCS protokoloa hedatzea simulazio hibridodun ingurune batean, ERTMS sistemaren hedatzea azkartuko duten erakusleak sortuz. Horretarako, OPNET simulagailuaren System-in-the-loop erreminta erabili da. Erreminta hau baliatuz ETCS protokoloaren pakete errealak ingurune simulatuan integratzeko funtzioen liburutegi bat idatzi da. Amaitzeko, liburutegi hori baliatuz ETCS protokoloak sareko arazoen aurrean duen errendimenduaren analisi bat burutu da eta liburutegi berri horrek pakete errealak simulatuetara itzultzean (eta kontrakoa) duen errendimendua zein den aztertu da.

A novel polarization modulator for a Moire system with grating imaging

A polarization modulator based on splitting with a Savart plate and rotation of an analyzer for a moire system with grating imaging is presented, and its modulation principle is analyzed. The polarization modulator is simple and achromatic. It is composed of a polarizer, a Savart plate, and an analyzer. The polarizer and the Savart plate are placed in front of the index grating to split the image of the scale grating in the moire system. The analyzer is placed behind the grating and rotated to realize the modulation of the moire signal. The analyzer can be rotated either continually with high speed or step by step with low speed to form different modulation modes. The polarization modulator makes the moire system insensitive to the change of initial intensity. In experiments, we verified the usefulness of the polarization modulator.

Analysis, optimization and development of an answer scoring system

The main contribution of this work is to analyze and describe the state of the art performance as regards answer scoring systems from the SemEval- 2013 task, as well as to continue with the development of an answer scoring system (EHU-ALM) developed in the University of the Basque Country. On the overall this master thesis focuses on finding any possible configuration that lets improve the results in the SemEval dataset by using attribute engineering techniques in order to find optimal feature subsets, along with trying different hierarchical configurations in order to analyze its performance against the traditional one versus all approach. Altogether, throughout the work we propose two alternative strategies: on the one hand, to improve the EHU-ALM system without changing the architecture, and, on the other hand, to improve the system adapting it to an hierarchical con- figuration. To build such new models we describe and use distinct attribute engineering, data preprocessing, and machine learning techniques.

German Eel Model (GEM II) for describing eel, Anguilla anguilla (L.), stock dynamics in the river Elbe system

The eel, Anguilla anguilla (L.), stock of the river Elbe severely decreased during the last decades. Detailed knowledge of the stock dynamics in freshwater and especially of the impact factors is necessary to take effective measures for stock conservation and improvement. The dynamics of the eel stock are modelled based on immigration, stocking, natural mortality and mortalities caused by fishing, angling, cormorants and hydropower plants. The model estimates the number of emigrating eel. Moreover, it enables to study the sensitivity of the estimates related to the uncertainty of the source data of the different influencing factors. The model may be used to develop management strategies and to assess the effi ciency of different management options. Zusammenfassung Der Aalbestand im Elbesystem ist in den letzten Jahrzehnten stark zur

MAPPER, a low-level geographic information system

A Low-Level Geographic Information System (LL-GIS) was developed to provide a simple low-cost mapping program which can be executed in any personal computer, by individuals with different levels of knowledge in computing. MAPPER is an add-on module of FishBase - a global database with key information on the biology of fish - where it creates on-screen maps with information on biodiversity and the occurrence of species. In another application, MAPPER is used to display and analyzed geographical information on the Philippines.

Pig dung as pond manure: effect on water quality, pond productivity and growth of carps in polyculture system

Pig dung was used as manure at 18 and 36 t/ha/year in carp polyculture (without supplementary feeding) for 270 days. It was observed that pig dung at both the levels did not degrade the physico-chemical properties (pH, dissolved oxygen and alkalinity) of water. The nutrient (phosphates and nitrates) level of water was higher in manured ponds than control ponds (no manuring, only supplementary feeding). Further, plankton levels (phyto- and zooplankton) were also significantly higher in manured ponds. The growth of Catla catla and Labeo rohita was significantly more in manured ponds than in control ponds. Growth of Cirrhinus cirrhosus and Cyprinus carpio was significantly more in ponds manured with pig dung at 18 t/ha/year than in control ponds and the growth of Ctenopharyngodon idellus was significantly more in control than in manured ponds.

A low-level geographic information system for coastal zone management with applications to Brunei Darussalam: Part III:: simulation and tracking oil spills

B:RUN is a low-level GIS software designed to help formulate options for the management of the coastal zone of Brunei Darussalam. This contribution presents the oil spill simulation module of B:RUN. This simple module, based largely on wind and sea surface current vector parameters, may be helpful in formulating relevant oil spill contingency plans. It can be easily adapted to other areas, as can the B:RUN software itself.

The Western Pacific Fishery Information Network: A Fisheries Information System

The Western Pacific Fishery Information Network (WPACFlN) is an intergovernmental agency cooperative program sponsored by the National Marine Fisheries Service (NMFS) to help participating island fisheries agencies carry out data collection, analysis, reporting programs, and data management activities to better support fisheries management under the Magnuson Fishery Conservation and Management Act; and to help meet local fisheries information and management needs. The WPACFlN is the central source of information for Federal fisheries management of most fisheries in American Samoa, Guam, and the Northern Mariana Islands, and it plays an important role in acquiring fisheries data in Hawaii. This paper describes the development and status of this fishery information system.

Evaluation of the In Situ Ichthyoplankton Imaging System (ISIIS): comparison with the traditional (bongo net) sampler

Plankton and larval fish sampling programs often are limited by a balance between sampling frequency (for precision) and costs. Advancements in sampling techniques hold the potential to add considerable efficiency and, therefore, add sampling frequency to improve precision. We compare a newly developed plankton imaging system, In Situ Ichthyoplankton Imaging System (ISIIS), with a bongo sampler, which is a traditional plankton sampling gear developed in the 1960s. Comparative sampling was conducted along 2 transects ~30–40 km long. Over 2 days, we completed 36 ISIIS tow-yo undulations and 11 bongo oblique tows, each from the surface to within 10 m of the seafloor. Overall, the 2 gears detected comparable numbers of larval fishes, representing similar taxonomic compositions, although larvae captured with the bongo were capable of being identified to lower taxonomic levels, especially larvae in the small (<5 mm), preflexion stages. Size distributions of the sampled larval fishes differed considerably between these 2 sampling methods, with the size range and mean size of larval fishes larger with ISIIS than with the bongo sampler. The high frequency and fine spatial scale of ISIIS allow it to add considerable sampling precision (i.e., more vertical sections) to plankton surveys. Improvements in the ISIIS technology (including greater depth of field and image resolution) should also increase taxonomic resolution and decrease processing time. When coupled with appropriate net sampling (for the purpose of collecting and verifying the identification of biological samples), the use of ISIIS could improve overall survey design and simultaneously provide detailed, process-oriented information for fisheries scientists and oceanographers.

Support for integrated ecosystem assessments of NOAA’s National Estuarine Research Reserve System (NERRS): assessment of ecological condition and stressor impacts in subtidal waters of the Sapelo Island National Estuarine Research Reserve

A study was conducted in June 2009 to assess the current status of ecological condition and potential human-health risks throughout subtidal estuarine waters of the Sapelo Island National Estuarine Research Reserve (SINERR) along the coast of Georgia. Samples were collected for multiple indicators of ecosystem condition, including water quality (dissolved oxygen, salinity, temperature, pH, nutrients and chlorophyll, suspended solids, fecal coliform bacteria and coliphages), sediment quality (granulometry, organic matter content, chemical contaminant concentrations), biological condition (diversity and abundance of benthic fauna, fish tissue contaminant levels and pathologies), and human dimensions (fish-tissue contaminant levels relative to human-health consumption limits, various aesthetic properties). Use of a probabilistic sampling design facilitated the calculation of statistics to estimate the spatial extent of the Reserve classified according to various categories (i.e., Good, Fair, Poor) of ecological condition relative to established thresholds of these indicators, where available. Overall, the majority of subtidal habitat in the SINERR appeared to be healthy, with over half (56.7 %) of the Reserve area having water quality, sediment quality, and benthic biological condition indicators rated in the healthy to intermediate range of corresponding guideline thresholds. None of the stations sampled had one or more indicators in all three categories rated as poor/degraded. While these results are encouraging, it should be noted that one or more indicators were rated as poor/degraded in at least one of the three categories over 40% of the Reserve study area, represented by 12 of the 30 stations sampled. Although measures of fish tissue chemical contamination were not included in any of the above estimates, a number of trace metals, pesticides, polybrominated diphenyl ethers (PBDEs), and polychlorinated biphenyls (PCBs) were found at low yet detectable levels in some fish at stations where fish were caught. Levels of mercury and total PCBs in some fish specimens fell within EPA guideline values considered safe, given a consumption rate of no more than four fish meals per month. Moreover, PCB congener profiles in sediments and fish in the SINERR exhibit a relative abundance of higher-chlorinated homologs which are uniquely characteristic of Aroclor 1268. It has been well-documented that sediments and fish in the creeks and marshes near the LCP Chemicals Superfund site, near Brunswick, Georgia, also display this congener pattern associated with Aroclor 1268, a highly chlorinated mixture of PCBs used extensively at a chlor-alkali plant that was in operation at the LCP site from 1955-1994. This report provides results suggesting that the protected habitats lying within the boundaries of the SINERR may be experiencing the effects of a legacy of chemical contamination at a site over 40km away. These effects, as well as other potential stressors associated with increased development of nearby coastal areas, underscore the importance of establishing baseline ecological conditions that can be used to track potential changes in the future and to guide management and stewardship of the otherwise relatively unspoiled ecosystems of the SINERR.

An overview of decadal to century time-scale variability in the climate system

EXTRACT (SEE PDF FOR FULL ABSTRACT): Time scales extracted from high-resolution proxy records and observations indicate that the spectrum of climate variability exhibits significant power in the range of decades to centuries superimposed on a red-noise continuum. The classical view of climate variability is based on the concept that observed fluctuations have their origin in periodic forcings on the same time scale. ... Instead, it is proposed that these fluctuations are linked to interactions within and between the different climate system components.