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At least 649 records · Page 36Linked to original sources

PubMed2005

An implementation of the nudged elastic band algorithm and application to the reaction mechanism of HGXPRTase from Plasmodium falciparum.

The understanding of transition processes, such as chemical reactions, is a central topic in theoretical molecular science. A common approach for investigating such processes is to calculate paths between reactant and product structures that are representative of the transition. Many approaches have been proposed to determine such paths but, in this paper, we examine the nudged elastic band algorithm which was recently introduced by Jónsson and co-workers and has been used to study a wide range of transition problems. We describe our implementation of the method in the simulation program Dynamo and some modifications to the original algorithm that we found improve its efficiency. The use of the method is illustrated by an application to the reaction mechanism of the enzyme hypoxanthine-guanine-xanthine phosphoribosyltransferase from Plasmodium falciparum.

Alanine↗

PubMed2002

Refinement, reduction, and replacement of animal use for regulatory testing: future improvements and implementation within the regulatory framework.

Many are critical of how regulatory testing practices have evolved and become established--critical both of the scientific rational and the animal welfare costs. The test of whether we are more enlightened than our predecessors will be whether, armed with more powerful scientific insights and a better understanding of animal welfare, we can ensure that the best animal welfare and the best science drive and shape future developments in regulatory testing. Conducting the most humane animal-based regulatory testing requires establishing and maintaining a constructive dialogue between stakeholders and acknowledging the common ground that unites. Inclusive processes with stakeholders prepared to offer public, rational justifications for their policies and processes are essential if best practice is to be identified and implemented. There is general agreement that the best animal welfare results in the best science; that regulatory requirements based on an understanding of mechanisms and early relevant biomarkers result in elegant and valid science. Thus, "alternative" methods enabling replacement, reduction, or refinement (the 3Rs) are in reality often more scientifically "advanced" and scientifically valid methods. These principles provided the incentive and framework for recent initiatives in the United Kingdom to enhance the quality of the data prepared for regulatory submission while better protecting the welfare of the animals used. Some remaining 3R opportunities are explored in this paper, and some of the commonly encountered myths about regulatory testing and perceived barriers to change are challenged. Current "threats" may indeed offer opportunities for ensuring that sound science and the best animal welfare underpin developments in regulatory testing.

Animal Testing Alternatives↗

PubMed2004

Did Columbus hypothesize or predict that if he sailed due west, he would arrive at the Indies?

A review of the literature in science education shows that most students have difficulties in hypothetico-deductive reasoning. The author's objective in this study was to investigate the abilities of high school teachers and university teachers to understand the difference between the terms hypothesis and prediction in the everyday context of Columbus's discovery of America. The author asked 83 high school and university teachers enrolled in a methodology course to elaborate and to explain a prediction and a hypothesis based on Columbus's discovery. Results, based on written responses, showed that most teachers (approximately 60%) did not understand the difference between a hypothesis and a prediction. The author also observed that many teachers did provide a satisfactory description of what they considered to be a hypothesis and a prediction. However, the difficulty for the teachers consisted in operationalizing (elaborating and understanding) the difference between a hypothesis and a prediction. Some teachers explicitly elaborated and classified a prediction as a hypothesis and, at times, the teachers elaborated the two terms in the same manner, without being aware of the contradiction. The study has educational implications by showing that, just like students, teachers have difficulties with the elaboration and understanding of the concepts of hypothesis and prediction. Given the importance of such concepts for all research programs, it is essential that appropriate teaching strategies be implemented.

Adult↗

PubMed2004

Advancing prevention science and practice: challenges, critical issues, and future directions.

Progress in identifying effective programs and policies for preventing tobacco, alcohol, and illicit drug use has stimulated a growing sense of optimism about the potential of prevention science and practice. This paper summarizes some of the key challenges and critical issues that still need to be addressed for the advances of the past two decades of prevention research to have an impact on the nature of prevention practice and eventually translate into reductions in mortality and morbidity. In addition to identifying effective strategies for disseminating the use of evidence-based prevention programs and policies, issues related to implementation fidelity and adaptation need to be better understood as well as factors associated with institutionalization of effective prevention programs. Further advances in prevention science and practice will require a new emphasis on blended research models that involve conducting prevention research in practice settings with the active collaboration of researchers and practitioners.

Diffusion of Innovation↗

PubMed1999

Attitudes to water fluoridation in South Africa 1998. Part I. Analysis by age, sex, population and province.

The successful implementation of water fluoridation (WF) depends upon support from the public. A survey was conducted in 1998 by the Human Sciences Research Council to assess attitudes of the South African population towards WF. A representative sample of 2,220 persons over the age of 18 years was interviewed. Questions relating to current knowledge, sources of information, the purpose of water fluoridation and its desirability as a public health measure were put to respondents. Only 25% of the population had heard or read of WF. The major sources of information were the electronic and printed media (40% and 27% respectively), while 2.5% heard about it from dentists. Just over a third of the sample (35.5%) identified the purpose of WF as protecting teeth from decay; 28% said it was to purify water and 28.5% were uncertain of, or did not know its purpose. Nearly two-thirds (61.9%) indicated that fluoride should be added to drinking water if it can reduce tooth decay, while 9% were not in favour and 29% were uncertain. The results suggest that most people do not know what WF is or does, though most were in agreement that it should be implemented to reduce tooth decay.

Adolescent↗

PubMed2006

Computer-assisted learning in medicine. How to create a novel software for immunology.

Teaching medical issues is increasingly demanding due to the permanent progress in medical sciences. Simultaneously, software applications are rapidly advancing with regard to their availability and easy use. Here a novel teaching program is presented for immunology, which is one of the fastest expanding topics in medical sciences. The requirements of media didactics were transferred to this e-learning tool for German students. After implementation, medical students evaluated the software and the different learning approaches showed acceptance. Altogether this novel software compares favourably to other English e-learning tools available in the Internet.

Allergy and Immunology↗

PubMed2000

A model of binocular stereopsis including a global consistency constraint.

The binocular correspondence problem was solved by implementing the uniqueness constraint and the continuity constraint, as proposed by Marr and Poggio [Marr D, PoggioT (1976) Science 194: 283-287]. However, these constraints are not sufficient to define the proper correspondence uniquely. With these constraints, random-dot stereograms (RDSs), consisting of the periodic textures in each image, are treated as a correspondence of surfaces composed of patches of alternating values of disparity. This is quite different from the surface we perceive through the RDSs, that is a surface characterized by a single depth. Because these constraints are local, they cannot produce the global optimum of correspondence. To obtain the global optimum of correspondence, we propose a model of binocular stereopsis in which a global measure of correspondence is explicitly employed. The model consists of two hierarchical systems. First, the lower system processes various correspondences based on the uniqueness constraint. Second, the higher system provides a global measure of correspondence for the disparity in question. The higher system uniquely determines the global optimum of correspondence in the lower system through the recurrent loop between hierarchical systems. The convergence of the recurrent loop is determined by the consistency between the hierarchical systems. The condition is termed the 'global consistency constraint.

Algorithms↗

PubMed2006

Toward an aesthetic medicine: developing a core medical humanities undergraduate curriculum.

The medical humanities are often implemented in the undergraduate medicine curriculum through injection of discrete option courses as compensation for an overdose of science. The medical humanities may be reformulated as process and perspective, rather than content, where the curriculum is viewed as an aesthetic text and learning as aesthetic and ethical identity formation. This article suggests that a "humanities" perspective may be inherent to the life sciences required for study of medicine. The medical humanities emerge as a revelation of value inherent to an aesthetic medicine taught and learned imaginatively.

Curriculum↗

PubMed1982

Life support system development in West Germany.

The delivery of fully qualified Environmental Control and Life Support System (ECLS) flight hardware for the Spacelab Flight Unit was completed in 1979, and the first Spacelab flight is scheduled for mid 1983. With Spacelab approaching its operational stage, ESA has initiated the Follow-on Development Programme. The future evolution of Spacelab elements in a continued U.S./European cooperation is obviously linked to the U.S. STS evolution and leads from the sortie-mode improvements (Initial Step) towards pallet systems and module applications in unmanned and manned space platforms (Medium and Far Term Alternatives). Extensive studies and design work have been accomplished on life support systems for Life Sciences Laboratories (Biorack) in Spacelab (incubators and holding units for low vertebrates). Future long term missions require the implementation of closed loop life support systems and in order to meet the long range development cycle feasibility studies have been performed. Terrestrial applications of the life support technologies developed for space have been successfully implemented.

Animals↗

PubMed2005

Use of non-adiabatic geometric phase for quantum computing by NMR.

Geometric phases have stimulated researchers for its potential applications in many areas of science. One of them is fault-tolerant quantum computation. A preliminary requisite of quantum computation is the implementation of controlled dynamics of qubits. In controlled dynamics, one qubit undergoes coherent evolution and acquires appropriate phase, depending on the state of other qubits. If the evolution is geometric, then the phase acquired depend only on the geometry of the path executed, and is robust against certain types of error. This phenomenon leads to an inherently fault-tolerant quantum computation. Here we suggest a technique of using non-adiabatic geometric phase for quantum computation, using selective excitation. In a two-qubit system, we selectively evolve a suitable subsystem where the control qubit is in state |1, through a closed circuit. By this evolution, the target qubit gains a phase controlled by the state of the control qubit. Using the non-adiabatic geometric phase we demonstrate implementation of Deutsch-Jozsa algorithm and Grover's search algorithm in a two-qubit system.

Journal Article↗

PubMed2006

Deterministic modelling and stochastic simulation of biochemical pathways using MATLAB.

The analysis of complex biochemical networks is conducted in two popular conceptual frameworks for modelling. The deterministic approach requires the solution of ordinary differential equations (ODEs, reaction rate equations) with concentrations as continuous state variables. The stochastic approach involves the simulation of differential-difference equations (chemical master equations, CMEs) with probabilities as variables. This is to generate counts of molecules for chemical species as realisations of random variables drawn from the probability distribution described by the CMEs. Although there are numerous tools available, many of them free, the modelling and simulation environment MATLAB is widely used in the physical and engineering sciences. We describe a collection of MATLAB functions to construct and solve ODEs for deterministic simulation and to implement realisations of CMEs for stochastic simulation using advanced MATLAB coding (Release 14). The program was successfully applied to pathway models from the literature for both cases. The results were compared to implementations using alternative tools for dynamic modelling and simulation of biochemical networks. The aim is to provide a concise set of MATLAB functions that encourage the experimentation with systems biology models. All the script files are available from www.sbi.uni-rostock.de/ publications_matlab-paper.html.

Biochemistry↗

PubMed1983

Comparative risk analysis of technological hazards (a review).

Hazards are threats to people and what they value and risks are measures of hazards. Comparative analyses of the risks and hazards of technology can be dated to Starr's 1969 paper [Starr, C. (1969) Science 165, 1232-1238] but are rooted in recent trends in the evolution of technology, the identification of hazard, the perception of risk, and the activities of society. These trends have spawned an interdisciplinary quasi profession with new terminology, methodology, and literature. A review of 54 English-language monographs and book-length collections, published between 1970 and 1983, identified seven recurring themes: (i) overviews of the field of risk assessment, (ii) efforts to estimate and quantify risk, (iii) discussions of risk acceptability, (iv) perception, (v) analyses of regulation, (vi) case studies of specific technological hazards, and (vii) agenda for research. Within this field, science occupies a unique niche, for many technological hazards transcend the realm of ordinary experience and require expert study. Scientists can make unique contributions to each area of hazard management but their primary contribution is the practice of basic science. Beyond that, science needs to further risk assessment by understanding the more subtle processes of hazard creation and by establishing conventions for estimating risk and for presenting and handling uncertainty. Scientists can enlighten the discussion of tolerable risk by setting risks into comparative contexts, by studying the process of evaluation, and by participating as knowledgeable individuals, but they cannot decide the issue. Science can inform the hazard management process by broadening the range of alternative control actions and modes of implementation and by devising methods to evaluate their effectiveness.

Accident Prevention↗

PubMed2006

The impossible interview with the man of the neuron doctrine. Interview by Edward G Jones.

This paper follows the form of that by Mazzarello that precedes it (Mazzarello, 2006) and presents an imaginary interview with Santiago Ramón y Cajal in December 1906. A few days earlier Cajal had been awarded the Nobel Prize for Physiology or Medicine, an award that he shared equally with Professor Camillo Golgi. Golgi had been recognized for his work as a pioneer into investigations of the nervous system, primarily on account of his discovery of the "black reaction" of silver chromate impregnation of whole nerve cells and their processes. Cajal had been recognized for his implementation of that method and for laying with it the foundations of what was to become modern neuroanatomical science. Paradoxically, the two awardees had been led by their researches to diametrically opposed views of the organization of the nervous system. Golgi believed in a continuous network of axons that formed the basis of all the integrative properties of the nervous system, while Cajal had provided the information that led to the formulation of the neuron doctrine that saw the nervous system as being made up of chains of discontinuous cells joined by polarized functional contacts that we now call synapses. The paper takes the form of an interview with Professor Cajal in the Grand Hotel Stockholm. His responses to questions posed by the imaginary interviewer are all taken from Cajal's own writings.

Anatomy↗

PubMed2005

Implementation of quality control methods in conjunction with chemometrics toward authentication of dairy products.

The implementation of novel and accurate quality and safety control methods in conjunction with chemometrics in various fields of science, particularly in food science, showed that this combination stands for a very powerful tool for detecting food authenticity. The latter reflects both geographic origin and variety. Dairy products, in particular, have repeatedly worried the public authorities in terms of authentication regarding origin and in view of the many illnesses occasionally due to products of specific origin. Therefore, the development of a robust and reliable system endowed with this discriminatory power (varietal and/or geographic) is of great importance, both in terms of public health and consumer protection.

Adolescent↗

PubMed2006

Making progress in mental health policy in conservative times: one step at a time.

Progress in mental health services has been made incrementally in a sequence of policy steps. In recent years, in spite of political conservatism, progressive changes have advanced new principles of service delivery. Reports from the surgeon general and the President's New Freedom Commission on Mental Health advanced these principles, including recovery and evidence-based practices. Both of these high-level reports were influenced by the findings of the Schizophrenia Patient Outcomes Research Team (PORT). The Schizophrenia PORT established the effectiveness of mental health treatments and supports, which provided a scientific foundation for the optimistic focus on recovery and its expectation of improved outcomes for individuals with severe mental disorders. The PORT study also established the gap between treatment recommendations and actual services. Concern about this gap has motivated efforts to transform services by implementing evidence-based practices. Advances in broad mental health and social policy, coupled with continued advances in science, have the potential to improve the care of individuals who experience severe mental disorders, such as schizophrenia.

Evidence-Based Medicine↗

PubMed2005

Implementing a simpler approach to mission-based planning in a medical school.

Changes in the education, research, and health care environments have had a major impact on the way in which medical schools fulfill their missions, and mission-based management approaches have been suggested to link the financial information of mission costs and revenues with measures of mission activity and productivity. The authors describe a simpler system, termed Mission-Aligned Planning (MAP), and its development and implementation, during fiscal years 2002 and 2003, at the School of Medicine at the University of Texas Health Science Center at San Antonio, Texas. The MAP system merges financial measures and activity measures to allow a broad understanding of the mission activities, to facilitate strategic planning at the school and departmental levels. During the two fiscal years mentioned above, faculty of the school of medicine reported their annual hours spent in the four missions of teaching, research, clinical care, and administration and service in a survey designed by the faculty. A financial profit or loss in each mission was determined for each department by allocation of all departmental expenses and revenues to each mission. Faculty expenses (and related expenses) were allocated to the missions based on the percentage of faculty effort in each mission. This information was correlated with objective measures of mission activities. The assessment of activity allowed a better understanding of the real costs of mission activities by linking salary costs, assumed to be related to faculty time, to the missions. This was a basis for strategic planning and for allocation of institutional resources.

Academic Medical Centers↗

PubMed2003

Effectively displaying broad scope sub-licensee radioactive material inventory allocations and possession quantities.

As part of its annual broad scope license radiation protection program review, the University of Texas Health Science Center at Houston radiation safety program discovered that although inventory control and monitoring mechanisms were being effectively implemented at the sublicensee level, a method did not exist to demonstrate compliance with collective broad scope license possession limits at the institutional level. To address this shortcoming, the radiation safety program data warehouse system was modified, and an automatic summary report showing collective sub-licensee maximum possession authorizations was created. But this report did not effectively present the summary information in a manner that key stakeholders could readily comprehend, as the data was not referenced to collective institutional possession limits. So a graphic version of the summary report was created wherein, for each isotope possessed, the collective institutional limit was displayed, along with the totals of all the individual sub-licensee maximum possession limits and current amounts on hand. This simple graphic served to effectively communicate the current status of the institution's radiation source inventory to the radiation safety committee, executive management, and state regulatory officials. The effort has served to simplify the sometimes-complicated source inventory control process and has facilitated subsequent program reviews. In the future, the method is expected to assist the radiation protection program in anticipating when broad license amendments may be needed to accommodate operational changes.

Licensure↗

PubMed1987

Computer-assisted instruction: design and content in neuroscience nursing.

Computer-assisted instruction (CAI) includes games, tutorials, simulations, and drills. Computer simulation exercises can be used to simulate patient care and promote diagnostic reasoning skills in nursing. Computer simulation exercises (CSEs) based on case studies of patients with head injury, spinal cord injury, epilepsy, febrile seizures and meningitis have been developed and implemented at the University of Washington School of Nursing, Department of Physiological Nursing, in conjunction with the Health Sciences Center for Educational Resources. These simulations provide a realistic, constantly changing scenerio in which the nurse-learner collects data, analyzes it, and makes decisions about the patient's nursing care. The patient's condition may change dramatically as a result of the decisions made by the nurse-learner.

Computer Simulation↗