Unoccupied Spaces Research Articles

Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.

We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multiconfiguration and multireference (MR) electronic structure calculations. Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d orbitals in a coordination complex). This is achieved via a linear transformation of the occupied and unoccupied orbital spaces from an easily obtainable single-reference wave function (such as from a Hartree-Fock or Kohn-Sham calculations) based on projectors to targeted atomic valence orbitals. We discuss the premises, theory, and implementation of the idea, and several of its variations are tested. To investigate the performance and accuracy, we calculate the excitation energies for various transition-metal complexes in typical application scenarios. Additionally, we follow the homolytic bond breaking process of a Fenton reaction along its reaction coordinate. While the described AVAS technique is not a universal solution to the active space problem, its premises are fulfilled in many application scenarios of transition-metal chemistry and bond dissociation processes. In these cases the technique makes MR calculations easier to execute, easier to reproduce by any user, and simplifies the determination of the appropriate size of the active space required for accurate results.

CARACTERIZAÇÃO DO CULTIVO E CONSERVAÇÃO DA AGROBIODIVERSIDADE EM LOTES URBANOS VAGOS EM DUAS PEQUENAS CIDADES NO ESTADO DE SÃO PAULO

<p>A agricultura urbana e periurbana (AUP) é um fenômeno mundial crescente e traz uma gama de benefícios, como a busca da segurança alimentar e nutricional, geração de renda e a possibilidade de conservação de agrobiodiversidade <em>on farm</em>. No Brasil, cidades de pequeno porte e zonas periféricas de metrópoles ainda apresentam características rurais, como espaços intersticiais desocupados, possibilitando a ex-moradores das zonas rurais a manutenção do hábito de plantar. O objetivo deste estudo foi descrever a agricultura urbana praticada nos lotes vagos em duas cidades do interior do estado de São Paulo, Charqueada (CH) e Santa Gertrudes (SG), abordando os seguintes aspectos: caracterização socioeconômica dos entrevistados; caracterização dos lotes quanto a posse, tempo de cultivo e manejo agrícola; e registro das plantas e variedades cultivadas, com ênfase nas raízes e tubérculos, com vistas a avaliar o potencial para a conservação de agrobiodiversidade <em>on farm</em> nesses espaços. Todos os lotes cultivados na malha urbana foram georreferenciados, para o estabelecimento de uma amostra geral (77 em CH e 43 em SG) para a caracterização da população quanto a aspectos socioeconômicos e relativos à agricultura praticada. Posteriormente, selecionou-se uma subamostra (30 em CH e 20 em SG), para inventário das plantas cultivadas. Os levantamentos foram realizados por meio de entrevistas estruturadas e semi-estruturadas, utilizando-se a turnê guiada nos lotes para o levantamento das plantas. Os agricultores são na grande maioria homens acima de 50 anos de idade, de baixa renda e baixa escolaridade; não há participação efetiva dos jovens. Há uma presença importante de migrantes de outros estados, nordestinos em CH e mineiros em SG. Levantaram-se 102 etnoespécies de plantas cultivadas, principalmente alimentares, sendo as mais frequentes (>40% dos lotes em ambas as cidades) mandioca, mamão e quiabo. Vários cultivos apresentaram etnovariedades, mas o conhecimento dos agricultores sobre as mesmas não é muito aprofundado. A agrobiodiversidade levantada atesta o potencial da agricultura urbana para conservação <em>on farm</em>, porém o desinteresse dos mais jovens e as pressões de ocupação imobiliária do solo urbano podem dificultar sua continuidade. Há necessidade de políticas públicas que ordenem a atividade e garantam um mínimo de estabilidade, bem como da conscientização da população em geral sobre o papel e a importância da conservação da diversidade agrícola. </p>

Process‐based modelling shows how climate and demography shape language diversity

AbstractAimTwo fundamental questions about human language demand answers: why are so many languages spoken today and why is their geographical distribution so uneven? Although hypotheses have been proposed for centuries, the processes that determine patterns of linguistic and cultural diversity remain poorly understood. Previous studies, which relied on correlative, curve‐fitting approaches, have produced contradictory results. Here we present the first application of process‐based simulation modelling, derived from macroecology, to examine the distribution of human groups and their languages.LocationThe Australian continent is used as a case study to demonstrate the power of simulation modelling for identifying processes shaping the diversity and distribution of human languages.MethodsProcess‐based simulation models allow investigators to hold certain factors constant in order to isolate and assess the impact of modelled processes. We tested the extent to which a minimal set of processes determines the number and spatial distribution of languages on the Australian continent. Our model made three basic assumptions based on previously proposed, but untested, hypotheses: groups fill unoccupied spaces, rainfall limits population density and groups divide after reaching a maximum population.ResultsRemarkably, this simple model accurately predicted the total number of languages (average estimate 406, observed 407), and explained 56% of spatial variation in language richness on the Australian continent.Main conclusionsOur results present strong evidence that current climatic conditions and limits to group size are important processes shaping language diversity patterns in Australia. Our study also demonstrates how simulation models from macroecology can be used to understand the processes that have shaped human cultural diversity across the globe.

Development and Implementation of an Automated Car Parking System

The problems related to shortages in car parking spaces in dense populated cities and areas is addressed, and the categories of automated advanced car parking systems based on their different technologies is presented. The concept of an automatic car parking system is also introduced and demonstrated through the development process of a prototype using a PIC microcontroller. Simulation for the system's circuits is done with the aid of Proteus software. The hardware circuits, which are built on printed circuit boards (PCB) are interfaced with actuators and sensors for automation purposes. The hardware is assembled to automatically open entry gates for cars while there are still some unoccupied parking spaces. The entry gate will not be opened, however as long as the car parking facility is full. Proper messages are displayed on a screen to reflect the status of the car parking facility.

High-resolution live imaging reveals axon-glia interactions during peripheral nerve injury and repair in zebrafish.

ABSTRACTNeural damage is a devastating outcome of physical trauma. The glia are one of the main effectors of neuronal repair in the nervous system, but the dynamic interactions between peripheral neurons and Schwann cells during injury and regeneration remain incompletely characterized. Here, we combine laser microsurgery, genetic analysis, high-resolution intravital imaging and lattice light-sheet microscopy to study the interaction between Schwann cells and sensory neurons in a zebrafish model of neurotrauma. We found that chronic denervation by neuronal ablation leads to Schwann-cell death, whereas acute denervation by axonal severing does not affect the overall complexity and architecture of the glia. Neuronal-circuit regeneration begins when Schwann cells extend bridging processes to close the injury gap. Regenerating axons grow faster and directionally after the physiological clearing of distal debris by the Schwann cells. This might facilitate circuit repair by ensuring that axons are guided through unoccupied spaces within bands of Büngner towards their original peripheral target. Accordingly, in the absence of Schwann cells, regenerating axons are misrouted, impairing the re-innervation of sensory organs. Our results indicate that regenerating axons use haptotaxis as a directional cue during the reconstitution of a neural circuit. These findings have implications for therapies aimed at neurorepair, which will benefit from preserving the architecture of the peripheral glia during periods of denervation.

Comparison of Thermal Comfort by Radiant Heating and Convective Heating

Currently, convective heating with a heat-pump system, which has high energy efficiency, is popular for room heating. However, it is possible that energy savings using convective heating can be further improved using heat pumps that service both occupied and unoccupied spaces. Moreover, convective heating increases vertical temperature gradients in a room; thus, it is hard to say whether occupants are being provided with sufficient thermal comfort. The purpose of this study is to compare the thermal comfort provided by both radiant and convective heating systems. In this study, a small office room was modeled, and then temperature and airflow distributions in the room were calculated by Computational Fluid Dynamics (CFD) simulations using ESP-r (Environmental research simulation software). Furthermore, distributions of Standard Effective Temperatures (SET^*) were calculated using the air temperature distributions obtained from the CFD simulations, which allows us to compare the thermal comfort provided by convective heating with that provided by radiant heating. The results show that radiant heating can provide satisfactory thermal comfort, even when the room air temperature is low. However, thermal comfort also depends on the temperature of blowing air, and blowing air must reach occupied regions; thus, only radiant heating cannot circulate sufficient air. In contrast, convective heating increases vertical temperature gradients in a room. Therefore, rather than using only radiant or convective heating, it may be more effective to combine them efficiently.

Behavior of a spontaneously arising human retinal pigment epithelial cell line cultivated on thin alginate film

Purpose:A cell line spontaneously derived from human retinal pigment epithelium (hRPE) was cultured on alginate film gelatinized with different concentrations of neurobasal cell culture medium (NCCM) to assess its growth and morphological behavior on this naturally occurring polysaccharide.Methods:Neonatal human globes were used to isolate hRPE cells. They were cultured in Dulbecco's modified Eagle’s-medium-and-Ham’s-F12-medium-(DMEM/F12) supplemented with 10% fetal bovine serum (FBS). Cultures were continuously studied using phase contrast microscopy. After the nineth passage, cells were characterized through immunocytochemical analysis for Oct4, Chx10, and Pax6 and Ki67 markers. In each well of a 6-well microplate, 1 and 2% weight/volume (w/v) alginate in deionized water was added and gelatinized using 1× and 10× NCCM. hRPE cells were cultured at a density of 2 × 105 cells/well in alginate-coated microplates. After 5 days, hRPE colonies were harvested and re-plated on polystyrene substrates. Morphology and growth of hRPE cultures were determined during the next 2 weeks.Results:The first few passages of the cultures were purely hRPE cells that revealed typical morphological features of the pigmented epithelium. They made spaces, devoid of cells, between hRPE cell monolayer and fill in the unoccupied spaces. They grew faster than native RPE cells and rapidly overgrew. Immunocytochemical test revealed that the founded cells expressed Chx10, Pax6, Ki67 and Oct4. The hRPE cells survived unlimitedly on alginate film and formed giant adjoining colonies. After re-plating, hRPE colonies adhered quickly on polystyrene and displayed native hRPE morphological features.Conclusion:Alginate film can support the survival and growth of hRPE cells and induce the cells to re-organize in tissue-like structures.

A survey of acoustic conditions and noise levels in secondary school classrooms in England.

An acoustic survey of secondary schools in England has been undertaken. Room acoustic parameters and background noise levels were measured in 185 unoccupied spaces in 13 schools to provide information on the typical acoustic environment of secondary schools. The unoccupied acoustic and noise data were correlated with various physical characteristics of the spaces. Room height and the amount of glazing were related to the unoccupied reverberation time and therefore need to be controlled to reduce reverberation to suitable levels for teaching and learning. Further analysis of the unoccupied data showed that the introduction of legislation relating to school acoustics in England and Wales in 2003 approximately doubled the number of school spaces complying with current standards. Noise levels were also measured during 274 lessons to examine typical levels generated during teaching activities in secondary schools and to investigate the influence of acoustic design on working noise levels in the classroom. Comparison of unoccupied and occupied data showed that unoccupied acoustic conditions affect the noise levels occurring during lessons. They were also related to the time spent in disruption to the lessons (e.g., students talking or shouting) and so may also have an impact upon student behavior in the classroom.

Ecological Conditions Favoring Budding in Colonial Organisms under Environmental Disturbance

Dispersal is a topic of great interest in ecology. Many organisms adopt one of two distinct dispersal tactics at reproduction: the production of small offspring that can disperse over long distances (such as seeds and spawned eggs), or budding. The latter is observed in some colonial organisms, such as clonal plants, corals and ants, in which (super)organisms split their body into components of relatively large size that disperse to a short distance. Contrary to the common dispersal viewpoint, short-dispersal colonial organisms often flourish even in environments with frequent disturbances. In this paper, we investigate the conditions that favor budding over long-distance dispersal of small offspring, focusing on the life history of the colony growth and the colony division ratio. These conditions are the relatively high mortality of very small colonies, logistic growth, the ability of dispersers to peacefully seek and settle unoccupied spaces, and small spatial scale of environmental disturbance. If these conditions hold, budding is advantageous even when environmental disturbance is frequent. These results suggest that the demography or life history of the colony underlies the behaviors of the colonial organisms.

Methods to reduce the CO2concentration of educational buildings utilizing internal ventilation by transferred air

The aim of this study is to develop internal ventilation by transferred air to achieve a good indoor climate with low energy consumption in educational buildings with constant air volume (CAV) ventilation. Both measurements of CO2 concentration and a multi-room calculation model are presented. The study analyzes how to use more efficiently the available spaces and the capacity of CAV ventilation systems in existing buildings and the impact this has on the indoor air quality and the energy consumption of the ventilation. The temperature differences can be used to create natural ventilation airflows between neighboring spaces. The behavior of temperature-driven airflows between rooms was studied and included in the calculation model. The effect of openings between neighboring spaces, such as doors or large apertures in the walls, on the CO2 concentration was studied in different classrooms. The air temperatures and CO2 concentrations were measured using a wireless, internet-based measurement system. The multi-room calculation model predicted the CO2 concentration in the rooms, which was then compared with the measured ones. Using transferred air between occupied and unoccupied spaces can noticeably reduce the total mechanical ventilation rates needed to keep a low CO2 concentration.

Speech intelligibility in hospitals

Effective communication between staff members is key to patient safety in hospitals. A variety of patient care activities including admittance, evaluation, and treatment rely on oral communication. Surprisingly, published information on speech intelligibility in hospitals is extremely limited. In this study, speech intelligibility measurements and occupant evaluations were conducted in 20 units of five different U.S. hospitals. A variety of unit types and locations were studied. Results show that overall, no unit had "good" intelligibility based on the speech intelligibility index (SII > 0.75) and several locations found to have "poor" intelligibility (SII < 0.45). Further, occupied spaces were found to have 10%-15% lower SII than unoccupied spaces on average. Additionally, staff perception of communication problems at nurse stations was significantly correlated with SII ratings. In a targeted second phase, a unit treated with sound absorption had higher SII ratings for a larger percentage of time as compared to an identical untreated unit. Taken as a whole, the study provides an extensive baseline evaluation of speech intelligibility across a variety of hospitals and unit types, offers some evidence of the positive impact of absorption on intelligibility, and identifies areas for future research.

Effect of molecular-orbital rotations on ground-state energies in the parametric two-electron reduced density matrix method

Different sets of molecular orbitals and the rotations connecting them are of great significance in molecular electronic structure. Most electron correlation methods depend on a reference wave function that separates the orbitals into occupied and unoccupied spaces. Energies and properties from these methods depend upon rotations between the spaces. Some electronic structure methods, such as modified coupled electron pair approximations and the recently developed parametric two-electron reduced density matrix (2-RDM) methods [D. A. Mazziotti, Phys. Rev. Lett. 101, 253002 (2008)], also depend upon rotations between occupied orbitals and rotations between unoccupied orbitals. In this paper, we explore the sensitivity of the ground-state energies from the parametric 2-RDM method to rotations within the occupied space and within the unoccupied space. We discuss the theoretical origin of the rotational dependence and provide computational examples at both equilibrium and non-equilibrium geometries. We also study the effect of these rotations on the size extensivity of the parametric 2-RDM method. Computations show that the orbital rotations have a small effect upon the parametric 2-RDM energies in comparison to the energy differences observed between methodologies such as coupled cluster and parametric 2-RDM. Furthermore, while the 2-RDM method is rigorously size extensive in a local molecular orbital basis set, calculations reveal negligible deviations in nonlocal molecular orbital basis sets such as those from canonical Hartree-Fock calculations.

Scroll compressor modelling for heat pumps using hydrocarbons as refrigerants

Hydrocarbons are today considered as promising alternatives to hydrofluorocarbons thanks to their low environmental impact and their easy implementation. However, some precautions have to be taken to thwart their flammability. European regulations impose to take stringent measures regarding components and to install heat pumps in unoccupied spaces. Nevertheless manufacturers keep working on components for hydrocarbons. In the frame of a research project on heat pumps for simultaneous heating and cooling, an R407C prototype working with a scroll compressor was built and tested. A near-industrial prototype is today being designed for propane with the help of recent modelling techniques. After having detailed the main issues regarding hydrocarbons as refrigerants, this article reviews scroll compressor modelling studies and presents the development of a thermodynamically realistic scroll compressor model. It was first developed for R407C and then adapted to thermodynamic properties of hydrocarbons and to other sizes of compressors.

Testing Elimination of an Infection Prevention Device from Catheter Bundle and Potential Effect on Overall Catheter Bloodstream Infection Rate

RESULTS: Recorded light levels ranged from 5e2610 lux (mean 1⁄4 188; n1⁄475). Significantly fewer bacteria were recovered from coated keyboards than from control keyboards (p < 0.001). Multiple regression analysis confirmed that the light activated antimicrobial coating had a reductive effect upon ACC (t 1⁄4 -5.44; p < 0.0001). Bed occupation and the status of the visual prompt at the time of sampling were also important factors. Fewer bacteria were recovered from unoccupied bed spaces (t 1⁄4 -3.99; p < 0.0001). More bacteria were recovered from keyboards with a flashing cleaning reminder than from thosewithout (t1⁄4 2.81; p1⁄4 0.005). Lux reading had no effect upon ACC (p 1⁄4 0.97). CONCLUSIONS: Computer keyboards can act as a source from which healthcare workers can contaminate their hands. A lightactivated antimicrobial coating could help reduce the associated bioburden and thus, the risk of onward transmission. However, the use of any antimicrobial surface does not negate the need for frequent and proper cleaning.

Acoustical characteristics of Technology Educational Shops in British Columbia

Technology Educational Shops (TES) are designed to develop high school students’ technological literacy. Their acoustical conditions play a dominant role in the quality of these environments. TES are, at the same time, classrooms for learning and industrial workshops for making things. Each use has its own standards governing its acoustical characteristics: ANSI S12.60-2002 for classrooms and the Ondet & Sueur DL2 criteria for workshops. A major conflict could exist by using the same room for two different purposes. This study investigated this conflict by evaluating the acoustical characteristics of 20 unoccupied wood, metal and automotive shops. It conducted measurements of background noise level (BNL), reverberation time (RT), speech intelligibility index (SII), and DL2. Results showed that BNLs and RTs in most TES were higher than the acceptability criteria for unoccupied core learning spaces. SII values indicated bad/poor speech intelligibility for normal and raised voice levels and reasonable/good speech intelligibility for loud and shout voice levels. DL2 values were found acceptable in TES larger than 100 m2 in floor area. In general, these results indicate the poor acoustical conditions of TES as classrooms, and the need for special sound control measures.

Energetic and hygrothermal analysis of a nano-structured material for rapid-response humidity buffering in closed environments

Three mesoporous silica materials were selected as coatings to provide humidity buffering in retrofitted ‘closed’ environments. The aim was to investigate the resultant indoor climate conditions and energy usage achieved in a representative indoor environment when compared against the traditional building materials spruce and gypsum. Simulation was carried out using the hygrothermal numerical model WUFI Plus v2.1.1.73, and validated against experimental results emerging from a series of physical models that were conducted inside a climatic chamber. Parametric analysis of key variables including ventilation rates, moisture loads and coating surface area using numerical simulation was then undertaken. The MS materials show consistent reduction in fluctuating relative humidity amplitudes for both occupied and unoccupied spaces in daily and annual cycles, providing humidity buffering within ASHRAE comfort limits and a potential reduction in humidification/dehumidification energy demand of up to 100% when compared against a conventional gypsum-lined indoor environment.

Modeling building thermal response to HVAC zoning

HVAC systems account for 38% of building energy usage. Studies have indicated at least 5-15% waste due to unoccupied spaces being conditioned. Our goal is to minimize this waste by retrofitting HVAC systems to enable room-level zoning where each room is conditioned individually based on its occupancy. This will allow only occupied rooms to be conditioned while saving the energy used to condition unoccupied rooms. In order to achieve this goal, the effect of opening or closing air vent registers on room temperatures has to be predicted. Making such a prediction is complicated by the fact that weather has a larger effect on room temperatures than the settings of air vent registers, making it hard to isolate the influence of the HVAC system. We present a technique for dynamically estimating the heat load due to weather on room temperatures and subtracting it out in order to predict the effect of the HVAC system more directly.

Preliminary Assessment Concerning the Practical Implementation and Visual Perception of Color Rendering Modulation for Augmented Energy Savings

Digitally controlled lighting systems equipped with colored LEDs can produce a range of different qualities of light, adjustable to users' requirements. In this context, we explore a lighting control concept which involves strategic control of RYGB LEDs forming white light, employed to increase energy efficiency. There is a fundamental trade-off between color rendering (CR) and luminous efficacy. Specifically, we can reduce CR and increase efficacy when we redistribute spectral energy intensity in favor of wavelengths where the eye response is greatest, the yellow/green region of the spectrum. The notable point is that while changing CR, the light level and color temperature can stay constant, and hence the appearance of the modified white light remains unchanged. The strategy is to bring the lighting of unoccupied spaces to minimum color rendering to save energy without altering the appearance or light levels of the illumination, when the LED system dynamically shifts to 'energy saving mode' (low CR) from 'quality mode' (high CR) according to occupancy. This paper reports and discusses the results of an ongoing research project involving the exercise of LED color mixing re-working the spectrum of white light according to this fundamental energy vs. rendering trade-off. The research work encompasses two main domains: (a) a tunable LED light source with accompanying control equipment; and (b) human factors studies concerning how surfaces and spaces are perceived under a light source with changing spectral components. Results so far have supported the two fundamental hypotheses: (a) when fully developed, color rendering modulation could potentially enable significant power reductions; (b) the majority of subjects did not detect the color rendering changes.

Scoping the potential of monitoring and control technologies to reduce energy use in homes

This scoping study takes a broad look at how information technology-enabled monitoring and control systems could assist in mitigating energy use in residences by more efficiently allocating the delivery of services by time and location. A great deal of energy is wasted in delivering services inefficiently to residents such as heating or cooling unoccupied spaces, overheating/undercooling for whole-house comfort, leakage current, and inefficient appliances. We construct a framework to estimate different categories of inefficient energy services and the result of our initial estimate is that over 39% of residential primary energy is wasted. We next discuss how monitoring and control technologies could manage home energy use to reduce waste. Technologies considered here include programmable thermostats, smart meters and outlets, zone heating, automated sensors, and wireless communications infrastructures. The level of energy services delivered is assumed to remain unchanged, with all energy savings being realized through better management. A final discussion on barriers to adoption of these systems speculates that a lack of consumer awareness of the technologies, high costs due to lack of economies of scale, and difficult user interfaces are currently the major hurdles toward adoption.

Generation of contact-printing based poly(ethylene glycol) gradient surfaces with micrometer-sized steps

A surface with a density gradient of poly(ethylene glycol) (PEG) is an attractive substrate for combinatorial studies of biological phenomena. In this study, the generation of discrete step-wise density gradients of PEG utilizing a contact-printing approach is reported. The step-wise gradient template is achieved by contact-printing n-octadecyltrichlorosilane (OTS) to a glass from a hemispherical elastomeric stamp when the stamp is brought into contact with the substrate, and then step-wisely increasing the contact area as the corresponding contact-printing time for the step decreases. A PEG-silane is then used to backfill the unoccupied spaces of the contact printed OTS gradient to generate the OTS-PEG density gradient. Various characterizations, including water contact angle measurement, lateral force microscopy, and X-ray photoelectron spectroscopy, are conducted and confirmed that the surface coverage of OTS increases (or the coverage of PEG decreases) with the increase of contact-printing time of OTS. The step-wise gradient is illustrated by adsorption of a bovine serum albumin labeled with fluorescein isothiocyanate and subsequent attachment of fibroblasts. The amounts of protein adsorption and cellular attachment increase with the decrease of the surface coverage of PEG.