The Calculation of Molecular Quadrupole Moments in Some Fluorine Containing Compounds by the SCC Method

Sec (self-consistent charge) method was applied to a series of related fluorinated hydrocarbons. The calculated anisotropies of the second moments of the charge and the molecular quadrupoles are in fairly good agreement with experimental data. The results indicate that coulomb repulsion between electrons are absorbed· satisfactorily into the parameterization of the sec method

The Calculation of Molecular Quadrupole Moments in Some Fluorine Containing Compounds by the SCC Method

Sec (self-consistent charge) method was applied to a series of related fluorinated hydrocarbons. The calculated anisotropies of the second moments of the charge and the molecular quadrupoles are in fairly good agreement with experimental data. The results indicate that coulomb repulsion between electrons are absorbed· satisfactorily into the parameterization of the sec method

Awareness of the need for safe storage of Methadone at home is not improved by the use of protocols on recording information giving

<p>Abstract</p> <p>Background</p> <p>Methadone is a synthetic, narcotic analgesic used in the treatment of drug misuse. Tragedies involving children being poisoned by the accidental ingestion of methadone are no longer a rare occurrence. Following an audit of the effectiveness of the provision and recall of information to patients attending an NHS Methadone Clinic a protocol was introduced to ensure that staff documented the provision of such information and patients gave a written confirmation that they had received the information.</p> <p>Methods</p> <p>The study was undertaken in the setting of an NHS methadone clinic with the aim of re- auditing the storage of methadone at home following the introduction of the new protocols. 174 patients completed an anonymous questionnaire regarding where they store methadone at home and whether they recall being given advice about safe storage. Community pharmacists were contacted by telephone to assess the level of advice given to methadone patients regarding safety.</p> <p>Results</p> <p>Only 49 (28.2%) patients recalled being given advice about safe storage, 24 (13.8%) recalled that information was provided by clinic staff. 170 (97.7%) patients regard methadone as being dangerous. (28.2%). Methadone is most commonly stored in a cupboard (37.9%). All methadone is dispensed in a bottle with a child resistant cap on it. All patients reported they stored their methadone in the original bottle provided by the pharmacist.</p> <p>Conclusion</p> <p>Recall of information on safety issues is very poor. Provision of written as well as verbal information is needed. The use of printed safety information cards which patients can take away for future reference may be of use. It is the responsibility of health professionals to ensure they provide information and advice to methadone users on the safe storage of their methadone at home.</p

Social Effects in Science: Modelling Agents for a Better Scientific Practice

Science is a fundamental human activity and we trust its results because it has several error-correcting mechanisms. Its is subject to experimental tests that are replicated by independent parts. Given the huge amount of information available, scientists have to rely on the reports of others. This makes it possible for social effects to influence the scientific community. Here, an Opinion Dynamics agent model is proposed to describe this situation. The influence of Nature through experiments is described as an external field that acts on the experimental agents. We will see that the retirement of old scientists can be fundamental in the acceptance of a new theory. We will also investigate the interplay between social influence and observations. This will allow us to gain insight in the problem of when social effects can have negligible effects in the conclusions of a scientific community and when we should worry about them.Comment: 14 pages, 5 figure

STS in management education: connecting theory and practice

This paper explores the value of science and technology studies (STS) to management education. The work draws on an ethnographic study of second year management undergraduates studying decision making. The nature and delivery of the decision making module is outlined and the value of STS is demonstrated in terms of both teaching method and module content. Three particular STS contributions are identified and described: the social construction of technological systems; actor network theory; and ontological politics. Affordances and sensibilities are identified for each contribution and a discussion is developed that illustrates how these versions of STS are put to use in management education. It is concluded that STS has a pivotal role to play in critical management (education) and in the process offers opportunities for new forms of managin

Blending using ODE swept surfaces with shape control and C1 continuity

Surface blending with tangential continuity is most widely applied in computer aided design, manufacturing systems, and geometric modeling. In this paper, we propose a new blending method to effectively control the shape of blending surfaces, which can also satisfy the blending constraints of tangent continuity exactly. This new blending method is based on the concept of swept surfaces controlled by a vector-valued fourth order ordinary differential equation (ODE). It creates blending surfaces by sweeping a generator along two trimlines and making the generator exactly satisfy the tangential constraints at the trimlines. The shape of blending surfaces is controlled by manipulating the generator with the solution to a vector-valued fourth order ODE. This new blending methods have the following advantages: 1). exact satisfaction of 1C continuous blending boundary constraints, 2). effective shape control of blending surfaces, 3). high computing efficiency due to explicit mathematical representation of blending surfaces, and 4). ability to blend multiple (more than two) primary surfaces

Coronary Artery Reperfusion

The effects of coronary artery reperfusion 3 hr after coronary occlusion on contractile function and the development of myocardial damage at 24 hr was studied experimentally. In 14 control and 6 reperfused dogs, relationships between epicardial ST segment elevation 15 min after coronary occlusion and myocardial creatine phosphokinase activity (CPK) and histologic appearance 24 hr later were examined. The electrocardiograms were recorded from 10 to 15 sites on the left ventricular epicardium and transmural samples for CPK and histology were obtained from the same sites where epicardial electrocardiograms had been recorded. An inverse relation existed between ST segment elevation (mv) 15 min after occlusion and log CPK activity (IU/ mg of protein) 24 hr later, log CPK = - 0.06ST + 1.26. In dogs subjected to coronary artery reperfusion, there was significantly less CPK depression (log CPK = - 0.01ST + 1.31, [P < 0.01]) than that expected from the control group. In the control group 97% of specimens showing ST segment elevations over 2 mv at 15 min showed abnormal histology 24 hr later. In contrast, in the reperfused group 43% of sites exhibiting elevated ST segment at 15 min showed abnormal histology 24 hr later. In six additional dogs it was shown that the paradoxical movement of the left ventricular wall could be reversed within 1 hr of perfusion. Therefore, by enzymatic and histologic criteria, as well as by functional assessment, coronary artery reperfusion 3 hr after occlusion resulted in salvage of myocardial tissue

Self-Dual Bending Theory for Vesicles

We present a self-dual bending theory that may enable a better understanding of highly nonlinear global behavior observed in biological vesicles. Adopting this topological approach for spherical vesicles of revolution allows us to describe them as frustrated sine-Gordon kinks. Finally, to illustrate an application of our results, we consider a spherical vesicle globally distorted by two polar latex beads.Comment: 10 pages, 3 figures, LaTeX2e+IOPar

Mapping participation: a systematic analysis of diverse public participation in the UK energy system

This paper develops a novel approach to mapping diverse forms of participation and public engagement, using the example of the UK energy system. It builds on emerging systemic accounts of participation, which go beyond a focus on individual instances of participation, to gain an understanding of broader patterns and connections. Our approach, which forms part of an emerging family of methods that seek to map across multiple forms of public involvement in issues and systems, draws on systematic review methodology and a relational co-productionist conception of participation. The findings of a systematic mapping of public participation related to the UK energy system 2010–2015 are presented, comprising 258 cases in total. The mapping analysis reveals patterns as to the what (energy objects and issues), how (procedural formats) and who (publics) of energy participation in the UK, which go far beyond the conventionally assumed forms and sites of public participation around energy. Implications for how the dynamics of ‘whole system’ energy participation are represented and the role of approaches to mapping participation in governing energy transitions are considered