Gas phase carbon acidity and correlations with aqueous pK~a~ values: A comparison of B3LYP/6-311++G(d,p), Gaussian-4 (G4), and experimental approaches

Gas phase standard state (298.15 K, 1 atm) calculations were conducted at the B3LYP/6-311++G(d,p) density functional and the Gaussian-4 (G4) composite method levels of theory to estimate the acidity of various carbon acids. Excellent agreement was found between the G4 gas phase enthalpies and free energies of carbon acid dissociation and corresponding experimental values. The B3LYP/6-311++G(d,p) level of theory displayed a significantly lower accuracy for gas phase acidity prediction, but with similar qualitative trends as the G4 calculations. Good correlations using both theoretical methods were found with corresponding carbon acid aqueous pK~a~ values. However, the pK~a~ prediction accuracy of carbon acids based on correlations with theoretical gas phase acidities appears lower than previously reported. Some carbon acid moieties may be outliers in general aqueous pK~a~ versus gas phase acidity quantitative structure-property relationships (QSPRs), warranting further investigative efforts on broader training sets

An Advanced Home ElderCare Service

With the increase of welfare cost all over the developed world, there is a need to resort to new technologies that could help reduce this enormous cost and provide some quality eldercare services. This paper presents a middleware-level solution that integrates monitoring and emergency detection solutions with networking solutions. The proposed system enables efficient integration between a variety of sensors and actuators deployed at home for emergency detection and provides a framework for creating and managing rescue teams willing to assist elders in case of emergency situations. A prototype of the proposed system was designed and implemented. Results were obtained from both computer simulations and a real-network testbed. These results show that the proposed system can help overcome some of the current problems and help reduce the enormous cost of eldercare service

Simple algebras of Weyl type

Over a field $F$ of any characteristic, for a commutative associative algebra $A$ with an identity element and for the polynomial algebra $F[D]$ of a commutative derivation subalgebra $D$ of $A$, the associative and the Lie algebras of Weyl type on the same vector space $A[D]=A\otimes F[D]$ are defined. It is proved that $A[D]$, as a Lie algebra (modular its center) or as an associative algebra, is simple if and only if $A$ is $D$-simple and $A[D]$ acts faithfully on $A$. Thus a lot of simple algebras are obtained.Comment: 9 pages, Late

The Role of Web Services at Home

The increase in computational power and the networking abilities of home appliances are revolutionizing the way we interact with our homes. This trend is growing stronger and opening a number of technological challenges. From the point of view of distributed systems, there is a need to design architectures for enhancing the comfort and safety of the home, which deal with issues of heterogeneity, scalability and openness. By considering the evolution of domotic research and projects, we advocate a role for web services in the domestic network, and propose an infrastructure based on web services. As a case study, we present an implementation for monitoring the health of an elder adult using multiple sensors and clients

The Social Relationships of Captive African Elephant (Loxodonta africana) Juveniles

In situ female African bush elephants (Loxodonta africana) live in a fission- fusion society comprised of “core groups” in which adult females associate with their dependent offspring (Archie, Moss, & Alberts, 2006). Most of the animals in a core group are related (Archie et al., 2006), but kinship is not the only contributor to elephant sociality.Pre-reproductive females (allomothers) often assist in the care of calves and juveniles (Lee, 1987). The concept of inclusive fitness (Riedman, 1982) is the favored hypothesis for the evolution of allomothering. Zoological settings, with varied social groupings, provide the perfect opportunity to test this hypothesis (Schulte, 2000). During the winter of 2017-2018, four female elephants at the Indianapolis Zoo were grouped together temporarily (one hour per day) and given access to an outside yard. The group included an adolescent (Zahara), her juvenile sister (Nyah), another female juvenile (Kalina) and the (unrelated) dominant elephant at the facility (Sophi). Video recordings of the animals moving freely in the yard were examined to document proximity, changes in proximity, and behavioral observations. Zahara spent more time close to the calves than did Sophi. Zahara and each of the juveniles made and broke contact equally often; however, the juveniles were primarily responsible for maintaining proximity to Sophi. Zahara, surprisingly, associated more with Kalina than with Nyah. Finally, Zahara displayed far more agonistic behaviors towards Kalina than towards Nyah. These results suggest that Zahara was an allomother to both juveniles, favoring Nyah over Zahara, but also interacted with Kalina as a peer

Does beak size affect acoustic frequencies in woodcreepers?

We assessed the effect of beak morphology on the acoustic structure of woodcreeper (subfamily Dendrocolaptinae) songs using a comparative analysis of independent contrasts. For the song of each species, we measured the maximum and minimum frequencies, the bandwidth, and the emphasized frequency. Residuals of variationin beak length and acoustic frequencies after controlling for body size and phylogeny were calculated for each species and compared. We found a negative relationship between the residuals of acoustic frequencies and the residuals of beak length. This relationship was significant for emphasized frequency when we excluded two open-habitat species, Scimitar-billed Woodcreeper (Drymornis bridgesii) and Narrow-billed Woodcreeper (Lepidocolaptes angustirostris).This result is consistent with the hypothesis that the suprasyringeal vocal tract has resonating properties that affect the frequency spectrum of the song.Fil: Palacios, María Gabriela. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Ecología, Genética y Evolución; ArgentinaFil: Tubaro, Pablo Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Museo Argentino de Ciencias Naturales ; Argentin

ANGELAH: A Framework for Assisting Elders At Home

The ever growing percentage of elderly people within modern societies poses welfare systems under relevant stress. In fact, partial and progressive loss of motor, sensorial, and/or cognitive skills renders elders unable to live autonomously, eventually leading to their hospitalization. This results in both relevant emotional and economic costs. Ubiquitous computing technologies can offer interesting opportunities for in-house safety and autonomy. However, existing systems partially address in-house safety requirements and typically focus on only elder monitoring and emergency detection. The paper presents ANGELAH, a middleware-level solution integrating both ”elder monitoring and emergency detection” solutions and networking solutions. ANGELAH has two main features: i) it enables efficient integration between a variety of sensors and actuators deployed at home for emergency detection and ii) provides a solid framework for creating and managing rescue teams composed of individuals willing to promptly assist elders in case of emergency situations. A prototype of ANGELAH, designed for a case study for helping elders with vision impairments, is developed and interesting results are obtained from both computer simulations and a real-network testbed

Simulation of land use changes using cellular automata and artificial neural network

This paper presents a method integrating artificial neural network (ANN) in cellular automata (CA) to simulate land use changes in Luxembourg and the areas adjacent to its borders. The ANN is used as a base of CA model transition rule. The proposed method shows promising results for prediction of land use over time. The ANN is validated using cross-validation technique and Receiver Operating Characteristic (ROC) curve analysis, and compared with logit model and a support vector machine approach. The application described in this paper highlights the interest of integrating ANNs in CA based model for land use dynamic simulation.Artificial neural network; Cellular automata; Modelling; Land use changes; Spatial planning and dynamics

Genetic and Modifiable Risk Factors Contributing to Cisplatin-Induced Toxicities

Effective administration of traditional cytotoxic chemotherapy is often limited by off-target toxicities. This clinical dilemma is epitomized by cisplatin, a platinating agent that has potent antineoplastic activity due to its affinity for DNA and other intracellular nucleophiles. Despite its efficacy against many adult-onset and pediatric malignancies, cisplatin elicits multiple off-target toxicities that can not only severely impact a patient’s quality of life, but also lead to dose reductions or the selection of alternative therapies that can ultimately affect outcomes. Without an effective therapeutic measure by which to successfully mitigate many of these symptoms, there have been attempts to identify a priori those individuals who are more susceptible to developing these sequelae through studies of genetic and nongenetic risk factors. Older age is associated with cisplatin induced ototoxicity, neurotoxicity and nephrotoxicity. Traditional genome-wide association studies have identified single nucleotide polymorphisms in ACYP2 and WFS1 associated with cisplatin-induced hearing loss. However, validating associations between specific genotypes and cisplatin-induced toxicities with enough stringency to warrant clinical application remains challenging. This review summarizes the current state of knowledge with regard to specific adverse sequelae following cisplatin-based therapy with a focus on ototoxicity, neurotoxicity, nephrotoxicity, myelosuppression and nausea/emesis. We discuss variables (genetic and nongenetic) contributing to these detrimental toxicities, and currently available means to prevent or treat their occurrence

Slocum gliders provide accurate near real-time estimates of baleen whale presence from human-reviewed passive acoustic detection information

© The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Baumgartner, M. F., Bonnell, J., Corkeron, P. J., Van Parijs, S. M., Hotchkin, C., Hodges, B. A., Thornton, J. B., Mensi, B. L., & Bruner, S. M. Slocum gliders provide accurate near real-time estimates of baleen whale presence from human-reviewed passive acoustic detection information. Frontiers in Marine Science, 7, (2020):100, doi:10.3389/fmars.2020.00100.Mitigating the effects of human activities on marine mammals often depends on monitoring animal occurrence over long time scales, large spatial scales, and in real time. Passive acoustics, particularly from autonomous vehicles, is a promising approach to meeting this need. We have previously developed the capability to record, detect, classify, and transmit to shore information about the tonal sounds of baleen whales in near real time from long-endurance ocean gliders. We have recently developed a protocol by which a human analyst reviews this information to determine the presence of marine mammals, and the results of this review are automatically posted to a publicly accessible website, sent directly to interested parties via email or text, and made available to stakeholders via a number of public and private digital applications. We evaluated the performance of this system during two 3.75-month Slocum glider deployments in the southwestern Gulf of Maine during the spring seasons of 2015 and 2016. Near real-time detections of humpback, fin, sei, and North Atlantic right whales were compared to detections of these species from simultaneously recorded audio. Data from another 2016 glider deployment in the same area were also used to compare results between three different analysts to determine repeatability of results both among and within analysts. False detection (occurrence) rates on daily time scales were 0% for all species. Daily missed detection rates ranged from 17 to 24%. Agreement between two trained novice analysts and an experienced analyst was greater than 95% for fin, sei, and right whales, while agreement was 83–89% for humpback whales owing to the more subjective process for detecting this species. Our results indicate that the presence of baleen whales can be accurately determined using information about tonal sounds transmitted in near real-time from Slocum gliders. The system is being used operationally to monitor baleen whales in United States, Canadian, and Chilean waters, and has been particularly useful for monitoring the critically endangered North Atlantic right whale throughout the northwestern Atlantic Ocean.Funding for this project was provided by the Environmental Security Technology Certification Program of the U.S. Department of Defense and the U.S. Navy’s Living Marine Resources Program