Miracle-dz/UniFAR-FTUs huggingface dataset:
Novel Method for Geometry Optimization of Molecular Clusters: Application to Benzene Clusters

A heuristic and unbiased method for searching optimal geometries of clusters of nonspherical molecules was constructed from the algorithm recently proposed for Lennard-Jones atomic clusters. In the method, global minima are searched by using three operators, interior, surface, and orientation operators. The first operator gives a perturbation on a cluster configuration by moving molecules near the center of mass of a cluster, and the second one modifies a cluster configuration by moving molecules to the most stable positions on the surface of a cluster. The moved molecules are selected by employing a contribution of the molecules to the potential energy of a cluster. The third operator randomly changes the orientations of all molecules. The proposed method was applied to benzene clusters. It was possible to find new global minima for (C6H6)11, (C6H6)14, and (C6H6)15. Global minima for (C6H6)16 to (C6H6)30 are first reported in this article.
1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydropyridin-3-yl]ethanone monohydrate

In the title compound, C20H21N3O2·H2O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C—H⋯O contacts are also observed.
Marketing Structures for Farm Tourism: Beyond the Individual Provider of Rural Tourism

Better use of the marketing process in rural tourism could help create more sustainable forms of development by reducing provider isolation, utilising resources more effectively, and allowing rural tourism to connect with international flows of tourists. The case study analyses the Farm Holiday Bureau, a national structure for farm accommodation in the United Kingdom, networked at local level. The primary research included semi-structured interviews and two surveys, one postal and one self-administered. The model highlights the different marketing activities carried out at the different levels of the national structure. The structure tackled product quality and consistency, the development of external linkages, and the pursuit of repeat business, whilst enhancing local identity and sense of place. The model offers direction for the creation of similar marketing structures, either for farm tourism in other countries or for other rural tourism products. Above all, it acknowledges that marketing activity inc.
Seed evolution: parental conflicts in a multi-generational household

Abstract Seeds are multi-generational structures containing a small embryonic plant enclosed in layers of diverse parental origins. The evolution of seeds was a pinnacle in an evolutionary trend towards a progressive retention of embryos and gametes within parental tissue. This strategy, which dates back to the first land plants, allowed an increased protection and nourishing of the developing embryo. Flowering plants took parental control one step further with the evolution of a biparental endosperm that derives from a second parallel fertilization event. The endosperm directly nourishes the developing embryo and allows not only the maternal genes, but also paternal genes, to play an active role during seed development. The appearance of an endosperm set the conditions for the manifestation of conflicts of interest between maternal and paternal genomes over the allocation of resources to the developing embryos. As a consequence, a dynamic balance was established between maternal and paternal gene dosage in the endosperm, and maintaining a correct balance became essential to ensure a correct seed development. This balance was achieved in part by changes in the genetic constitution of the endosperm and through epigenetic mechanisms that allow a differential expression of alleles depending on their parental origin. This review discusses the evolutionary steps that resulted in the appearance of seeds and endosperm, and the epigenetic and genetic mechanisms that allow a harmonious coinhabitance of multiple generations within a single seed.
Effects of obesity, diabetes and exercise on Fndc5 gene expression and irisin release in human skeletal muscle and adipose tissue: in vivo and in vitro studies

Considerable controversy exists regarding the role of irisin, a putative exercise‐induced myokine, in human metabolism. We therefore studied irisin and its precursor Fndc5 in obesity, type 2 diabetes and exercise. Complex clinical studies combined with cell culture work revealed that Fndc5/irisin was decreased in type 2 diabetes in vivo, but not in muscle cells in vitro, indicating that diabetes‐related factor(s) regulate Fndc5/irisin in vivo. Several attributes of type 2 diabetes, such as hyperglycaemia, triglyceridaemia, visceral adiposity and extramyocellular lipid deposition were negatively associated with adipose tissue Fndc5 mRNA and circulating irisin. Moreover, mimicking diabetic status in vitro by treating muscle cells with palmitate and glucose lowered Fndc5 mRNA. Neither exercise training nor an acute exercise bout modulated circulating irisin or muscle Fndc5 expression. However, the associations between intensity of habitual physical activity, muscle volume, strength, contractility and circulating irisin provide a link between irisin and positive outcomes of increased physical activity.
WHY MEASUREMENT INITIATIVES FAIL

Noting the claim that 70 per cent of balanced scorecard implementations fail, sets out to explore the two main reasons for the failure of measurement systems – namely poor design and difficulty of implementation. Considers the measurement revolution over the past 20 years noting developments such as the early budgetary control measures in DuPont and General Motors during the early 1990s. Looks at the appropriate design of measurement systems and suggests that companies should start with a “success map” – a cause and affect diagram which shows how the company operates. Points to three causes of implementation failure – political, infrastructural and focus and details of each of these. Suggests that the challenge for the twenty‐first century is how to extract maximum value from our performance measurement data.
Should every patient with stroke be on selective serotonin reuptake inhibitors? No.

Attempting to enhance the rehabilitation and recovery process is an admirable goal that is showing more promise in recent years. The investigation of brain reorganization and repair is currently one of the most active and exciting fields in neuroscience. We as standard-bearers of stroke treatment, however, must resist unbridled enthusiasm and exercise caution in the clinical setting. With regard to whether the patient before us should be given fluoxetine for the purpose of enhancing recovery of his motor and language deficits, I must vote an emphatic and decisive “No.” Giving fluoxetine to this patient at this time is not justified by our current state of knowledge. We have tantalizing evidence of potential benefit of selective serotonin reuptake inhibitors in stroke. A recently published clinical trial, Fluoxetine for motor recovery after acute ischemic stroke (FLAME), was well designed and well executed, containing the elements required to maximize likelihood of reaching a secure conclusion: double blinding, randomization, and adequate statistical power.1 Among 118 patients with acute stroke with severe hemiparesis, those given 20mg fluoxetine orally daily starting 5 to 10 days after stroke onset …
Psychiatric Aspects of Progressive Supranuclear Palsy

This paper describes four patients with undetected progressive supranuclear palsy who were referred to psychiatric facilities for treatment of late onset symptoms and signs attributed to primary psychopathology. However, subsequent neurological and neuropsychological evaluation established the diagnosis of progressive supranuclear palsy. In two patients, psychiatric symptoms preceded the onset of neurological deficits. It is our experience that because of presenting symptomatology, some patients with progressive supranuclear palsy will be referred for psychiatric consultation. The possibility of progressive supranuclear palsy should be considered in the differential diagnosis of late onset psychiatric syndromes.
Reliable capacity provisioning for distributed cloud/edge/fog computing applications

The REliable CApacity Provisioning and enhanced remediation for distributed cloud applications (RECAP) project aims to advance cloud and edge computing technology, to develop mechanisms for reliable capacity provisioning, and to make application placement, infrastructure management, and capacity provisioning autonomous, predictable and optimized. This paper presents the RECAP vision for an integrated edge-cloud architecture, discusses the scientific foundation of the project, and outlines plans for toolsets for continuous data collection, application performance modeling, application and component auto-scaling and remediation, and deployment optimization. The paper also presents four use cases from complementing fields that will be used to showcase the advancements of RECAP.
Evaluation of the Precision-Privacy Tradeoff of Data Perturbation for Smart Metering

Smart grid users and standardization committees require that utilities and third parties collecting metering data employ techniques for limiting the level of precision of the gathered household measurements to a granularity no finer than what is required for providing the expected service. Data aggregation and data perturbation are two such techniques. This paper provides quantitative means to identify a tradeoff between the aggregation set size, the precision on the aggregated measurements, and the privacy level. This is achieved by formally defining an attack to the privacy of an individual user and calculating how much its success probability is reduced by applying data perturbation. Under the assumption of time-correlation of the measurements, colored noise can be used to even further reduce the success probability. The tightness of the analytical results is evaluated by comparing them to experimental data.
COMPARATIVE OF STOCK PRICE BEFORE AND AFTER INDONESIAN PRESIDENTIAL ELECTION IN 2014 OF LQ-45 STOCK LISTED ON IDX

Recently, investors have knowledge on investment for their future benefits. Then, as time goes by, they found out that information about some events may have a significant influence on the performance of the stock price and it makes them worry if this kind of event could affect the price of their shares, especially the price of LQ-45 stocks. One of the events that may affect the stock price is presidential election because it is macroeconomics factor that affect all aspects in the country including investment. This research conducted to identify the significant change of the stock price and to know if this event has an effect on price of LQ-45 Stock. This research uses Time Series Analysis, Paired Sample t-Test and purposive sampling method where the sample of this research is all LQ-45 stocks in IDX. The correlation result finds that there is a relation between stock price and presidential election. There is also a significant change on stock price after the presidential election. Therefore, it concluded that event such as presidential election is one of the factors that affect the performance of the stock price and investors recommended to be more cautious of information while doing stock transaction, and makes better investment. Keywords : stock price, presidential election, event study
Increasing Returns and the Specific Factors Model

In recent years, trade theorists have been increasingly interested in the role of economies of scale in international trade models. ' Yet the literature to-date seems to lack a simple treatment of income-distribution and related issues in the presence of economies of scale. The present paper attempts to fill this gap by incorporating increasing returns to scale (IRS) into the standard specific-factors model. Trade theorists have begun to view the specific-factors model as the favored vehicle for analyzing the economy-wide effects of changes in commodity prices, factor endowments and other exogenous variables. The strongest case in favor of this model has been presented by Neary [16] who argues that the model provides "a rigorous general equilibrium foundation for partial equilibrium analysis as far as the supply side of the economy is concerned, whereas with ICM partial equilibrium reasoning will frequently be misleading. "2 He further conjectures that "ICM is the source of all the paradoxes which are peculiar to international trade theory, with the exception of those which arise from the failure to adopt first-best policies . " In light of these views in the literature, it is of interest to investigate how robust the predictions of the specific-factors model are in the presence of economies of scale. The analysis in this paper has important implications for the literature on IRS as well as that on the specific-factors model. The more important of these implications may be summarized as follows. First, in a small open economy characterized by national intraindustry IRS, the condition for local dynamic stability is equivalent to the condition for a normal output-price response.3 Moreover, in contrast with the findings of the IRS models based on free intersectoral mobility of all factors as exemplified in Herberg and Kemp [6], this condition may be satisfied everywhere along the production possibilities frontier. Second, stability of an equilibrium in the presence of IRS is not sufficient to guarantee the validity of many results of the standard specific-factors model. Responses of a small
Monetary policy rules in a two-sector small open economy

The analysis of monetary policy rules has been confined to models not capable of examining situations where an economy is converging to a higher balanced growth path. For the small open economies having entered the European Union recently this is however a very relevant question. The main aim of their integration is convergence itself and most of the criteria they have to fulfil in order to become members of the euro zone are of monetary nature. It is thus of special interest for them whether and how the chosen strategy of monetary policy aiming at the fulfilment of the requirements they face affects the transition. In this paper a first attempt is made to compare monetary policy rules in a monetary model of small open economies, which builds essentially on the convergence literature. The results show that the economy behaves very differently in the transition under the different monetary policy rules examined.
A Cross-Gender Statistical Analysis of Tuvinian Intonation Features in Comparison With Uzbek and Azerbaijani

The paper deals with cross-gender and cross-linguistic comparison of pitch characteristics for Tuvinian with two other Turkic languages Uzbek and Azerbaijani, based on the results of statistical analysis of pitch parameter values and intonation patterns used by male and female speakers. The main goal of our work is to obtain the ranges of pitch parameter values typical for Tuvinian speakers for the purpose of automatic language identification. We also propose a cross-gender analysis of declarative intonation in the poorly studied Tuvinian language. The ranges of pitch parameter values were obtained by means of specially developed software that deals with the distribution of pitch values and allows us to obtain statistical language-specific pitch intervals. Keywords—Speech analysis, Statistical analysis, Speaker recognition, Identification of person.
Studying Alcohol Elimination Using the Alcohol Clamp Method

Researchers studying alcohol absorption and metabolism in humans have been aided by the alcohol clamp method, in which alcohol is administered intravenously, allowing study participants to achieve and maintain a target breath alcohol concentration (BrAC) for an extended period of time. This tool minimizes the variability in BrACs that occurs after alcohol consumption by administering alcohol at a dose and rate that is computed for each person individually. The alcohol clamp can be used to evaluate several influences on alcohol elimination, including gender, ethnicity, genetic variations in alcohol-metabolizing enzymes, and food consumption.
Demographic, income, and health care characteristics,1993

Employment of persons with disabilities is a key concern of a number of existing and proposed programs and policies, as well as the focus of substantial current research. While the article by Thomas W. Hale, Howard V. Hayghe, and John M. McNeil (pages 3–12 in this issue) examines employment patterns and other characteristics by disability status, this article analyzes demographic, income, and health care characteristics of working-age persons (aged 15 to 64) with and without disabilities. Such characteristics may provide insights into the potential barriers to employment faced by persons with disabilities (related to their level of education, for example); they also may help explain the role of employment in personal and household income, poverty status, and access to health insurance. Hale and his coauthors show that persons with disabilities, particularly those with severe disabilities, have both lower employment rates and lower earnings than do those without disabilities. As will be seen, persons with disabilities differ in other characteristics as well—some of which stem from their labor market difficulties, and others that actually contribute to such difficulties. In particular, persons with disabilities are more likely to live in poverty because income from disability benefits and other nonemployment income generally do not make up for the lack of employment inPersons with Disabilities Persons with Disabilities
Glucose Measurement: Confounding Issues in Setting Targets for Inpatient Management

We thank Dungan et al. (1) for their recent review of the potential factors that can adversely affect inpatient glucose measurements. Their review is timely and provides a much-needed overview of an important and complex subject, especially now that hospitals are using point-of-care devices to monitor intensive insulin protocols. However, we feel that the information listed in Table 1 of their study is potentially misleading. First, the presence …
3D reconstruction from a single view of an object and its image in a plane mirror

An arbitrary object and its image in a plane mirror constitute a bilaterally symmetric structure. When the structure is viewed by a single camera, the correspondence between the object and its counterpart in the mirror is auto-epipolar in one image taken by the camera and can be computed in a way similar to that for stereo vision. The 3D structure of the object is therefore recoverable from the single image. In this paper, a 3D-reconstruction algorithm derived from this theory is verified using different objects in front of a mirror observed by a calibrated camera. Very good experimental results are presented. Remarks on tackling the limitation of the present scheme are also given.
Developing Climate Change Maps for Tourism

Climate change adaptation is a pressing need. However, local level stakeholders often find themselves overwhelmed with climate change information presented at both small temporal and spatial scales. To address this gap, and using a case study from New Zealand’s Southern Lakes region, this research links tourism operators’ information requirements with climate change projections. Interviews with 42 stakeholders provided exemplary storylines and insights into the climate parameters that would be useful for their planning (mean precipitation, extreme wind conditions, mean temperature, and frost days). These findings were then used to generate sector-relevant maps. Climate change maps were produced based on global and regional models to generate detailed climate projection information for the A2 emission scenario in the form of regional scale, color-coded maps. A final stakeholder workshop confirmed the usefulness of the maps as a planning tool but also highlighted a number of future challenges for climate change communication.
Issuer Assessments of Credit Rating Agencies by Investment Grade

The authors examine the views of investment and non-investment grade industrial bond issuers about the four leading U.S. credit rating agencies. The issuers differ significantly in their attitudes about the rating agencies. While respondents are generally satisfied with the performance of credit rating agencies, their level of satisfaction is higher for S&P than for Moody's. The results have implications for bond market participants who rely on credit ratings for corporate financing, investment decisions, and risk management.
Health Care during Transition and Health Systems Reform: Evidence from the Poorest CIS Countries

The poorest seven countries of the former Soviet Union (CIS-7) moved from a centralized system of health-care funding and delivery to a range of institutional and financial arrangements. The different paths chosen have implied different results in terms of available resources, internal efficiency, health-care inequality, and the corresponding incidence of public expenditures. This paper examines the level, composition and allocation of public spending on health, in light of the evolution of the health systems during the transition. The financial constraints experienced by CIS-7 countries were reflected in the decrease of health-care quality, the collapse of the already inefficient public health activities, and the increased incidence of out-of-pocket expenditures. These factors, alongside the increase in poverty, resulted in a decrease in health-care utilization, suggesting that these countries may experience difficulties in achieving the health-related Millennium Development Goals.
The economic impact of Hawaii’s cruise industry

The cruise industry worldwide has increased rapidly since the beginning of the millennium. Hawaii is no exception to this. Since the 1970s, cruise ships periodically visited the Hawaiian Islands, yet overnight cruising among the islands was rare. From 2001 to 2004, cruise ships sailing to and around Hawaii were solely foreign-flagged ships, including those home based in Hawaii. This meant much of the tourism revenue and taxes did not accrue to the local economy. Since July 2004, in addition to the foreign-flagged ships, a U.S.-flagged ship has been home-ported in the islands, paying Hawaii taxes and hiring U.S. crews with two more U.S.-flagged ships being added to the fleet in 2005 and 2006. This article uses a computable general equilibrium (CGE) model to estimate the economywide economic impact of the cruise industry on the state of Hawaii. Using the 2002 intercounty input-output table as a benchmark, the multiregion CGE model takes the direct expenditure estimates of cruise passengers, expenditure by cruise crews, and the direct expenditures by the cruise lines, as computed by the State of Hawaii and uses these direct impacts as simulations in the CGE model. Gross value added and welfare are calculated for each county and the state as a whole. Some regions benefit more than others.
Developmentally regulated expression of mouse HtrA3 and its role as an inhibitor of TGF‐β signaling

The expression of mouse HtrA1 is developmentally regulated and restricted in embryo tissues which depend largely on TGF‐β signaling for their differentiation. We examined whether mouse HtrA3, another HtrA family member very close to HtrA1, shows similar expression patterns. HtrA3 and ‐1 were expressed mostly in the same embryonic organs but exhibited complementary patterns in various tissues; the lens epithelial cells in day 12.5 embryo expressed HtrA3 whereas the ciliary body and pigment retina expressed HtrA1. In the vertebrae of day 14.5 embryo, HtrA3 was expressed in the tail region, but HtrA1 was predominantly expressed in the thoracic and lumbar regions.