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Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.

Universal variational functionals of densities, first-order density matrices, and natural spin-orbitals are explicitly displayed for variational calculations of ground states of interacting electrons in atoms, molecules, and solids. In all cases, the functionals search for constrained minima. In particular, following Percus [Formula: see text] is identified as the universal functional of Hohenberg and Kohn for the sum of the kinetic and electron-electron repulsion energies of an N-representable trial electron density rho. Q[rho] searches all antisymmetric wavefunctions Psi(rho) which yield the fixed. rho. Q[rho] then delivers that expectation value which is a minimum. Similarly, [Formula: see text] is shown to be the universal functional for the electron-electron repulsion energy of an N-representable trial first-order density matrix gamma, where the actual external potential may be nonlocal as well as local. These universal functions do not require that a trial function for a variational calculation be associated with a ground state of some external potential. Thus, the v-representability problem, which is especially severe for trial first-order density matrices, has been solved. Universal variational functionals in Hartree-Fock and other restricted wavefunction theories are also presented. Finally, natural spin-orbital functional theory is compared with traditional orbital formulations in density functional theory.

Journal Article↗

Root of the universal tree of life based on ancient aminoacyl-tRNA synthetase gene duplications.

Universal trees based on sequences of single gene homologs cannot be rooted. Iwabe et al. [Iwabe, N., Kuma, K.-I., Hasegawa, M., Osawa, S. & Miyata, T. (1989) Proc. Natl. Acad. Sci. USA 86, 9355-9359] circumvented this problem by using ancient gene duplications that predated the last common ancestor of all living things. Their separate, reciprocally rooted gene trees for elongation factors and ATPase subunits showed Bacteria (eubacteria) as branching first from the universal tree with Archaea (archaebacteria) and Eucarya (eukaryotes) as sister groups. Given its topical importance to evolutionary biology and concerns about the appropriateness of the ATPase data set, an evaluation of the universal tree root using other ancient gene duplications is essential. In this study, we derive a rooting for the universal tree using aminoacyl-tRNA synthetase genes, an extensive multigene family whose divergence likely preceded that of prokaryotes and eukaryotes. An approximately 1600-bp conserved region was sequenced from the isoleucyl-tRNA synthetases of several species representing deep evolutionary branches of eukaryotes (Nosema locustae), Bacteria (Aquifex pyrophilus and Thermotoga maritima) and Archaea (Pyrococcus furiosus and Sulfolobus acidocaldarius). In addition, a new valyl-tRNA synthetase was characterized from the protist Trichomonas vaginalis. Different phylogenetic methods were used to generate trees of isoleucyl-tRNA synthetases rooted by valyl- and leucyl-tRNA synthetases. All isoleucyl-tRNA synthetase trees showed Archaea and Eucarya as sister groups, providing strong confirmation for the universal tree rooting reported by Iwabe et al. As well, there was strong support for the monophyly (sensu Hennig) of Archaea. The valyl-tRNA synthetase gene from Tr. vaginalis clustered with other eukaryotic ValRS genes, which may have been transferred from the mitochondrial genome to the nuclear genome, suggesting that this amitochondrial trichomonad once harbored an endosymbiotic bacterium.

Amino Acid Sequence↗

Effect of educational programs, rigid sharps containers, and universal precautions on reported needlestick injuries in healthcare workers.

OBJECTIVE: To evaluate the effect of infection control programs on reported needlestick injuries in a general hospital. DESIGN: Surveillance of all reported needlestick injuries at the University of Cincinnati Hospital was maintained by the infection control department for five years, from 1985 through 1989. Data on individual workers were collected, tabulated on a monthly basis, and reviewed continually to monitor trends in injuries. During this time, the effects of each of three new infection control programs on reported injuries were evaluated sequentially. SETTING: A 700-bed general hospital that serves as the main teaching hospital of the University of Cincinnati. PARTICIPANTS: All employees of University Hospital who reported to personnel health for management of needlestick injuries. INTERVENTIONS: In 1986, an educational program to prevent injuries was initiated and continued throughout the surveillance period. In 1987, rigid sharps disposal containers were placed in all hospital rooms. In 1988, universal precautions were introduced with an intensive inservice. RESULTS: Surveillance identified 1,602 needlestick injuries (320/year) or 104/1,000/year. After the educational program began, reported injuries increased rather than decreased, and this was attributed to increased reporting. Subsequently, after installation of the new disposal containers, reported injuries returned to the levels seen prior to the educational program, but recapping injuries showed a significant decrease from 63/year to 30, or 20/1,000/year to 10. This decrease was observed in nurses but not in other healthcare workers. After universal precautions were instituted, total injuries increased slightly, but recapping injuries remained at 50% of the levels reported prior to the use of rigid sharps disposal containers. CONCLUSIONS: The three infection control programs failed to produce a major reduction in reported needlestick injuries, except for a decrease in recapping injuries associated with the placement of rigid sharps disposal containers in all patient rooms. These observations indicate that new approaches are needed to reduce needlestick injuries.

Accidents, Occupational↗

Achieving universal HIV screening in prenatal care in the United States: provider persistence pays off.

Routine voluntary HIV testing with the right to decline (the "opt-out" approach) is recommended for all pregnant women in the United States but not all are tested. We examined data from surveys of prenatal care providers to identify factors associated with universal testing among patients. Data are from a probability survey conducted in 1999 with prenatal care providers in four separate areas. Survey participants completed a self-administered questionnaire. We computed the percentage of providers reporting universal testing by characteristics of the provider's practice, medical specialty, how strongly they encouraged testing, perceptions of patients' risk, and whether they saw patients in public clinics. In the four locations (Brooklyn, New York; North Carolina; Connecticut; and Dade County, Florida) 95%-99% of providers reported that they routinely offered HIV testing to all pregnant women; the average percentage tested was 64%-89%. The percentage reporting that all of their patients were tested ranged from 12%-62%. The percent of providers reporting universal testing was positively associated with the degree to which testing was encouraged, particularly encouragement to women perceived to be low risk. In some areas, universal testing varied by medical profession, with obstetric physicians and residents, and nurse-midwives reporting a lower percentage of universal testing than family practice physicians and residents. To achieve the goal of routine HIV testing of all pregnant women, education and training must be delivered to all prenatal care providers. This training should emphasize the importance of routine testing. Even with the opt-out approach, many women may decline testing if their doctor does not recommend and encourage HIV testing.

AIDS Serodiagnosis↗

Universal immunization to interrupt rubella.

The aim of universal immunization is to control congenital rubella syndrome by interrupting transmission of rubella virus among young children through immunization of all children, male and female, on or after their first birthday, thereby decreasing the chances that a susceptible pregnant woman would be exposed to the virus. Concerns about rubella vaccine (durability of protection, safety, and communicability) no longer determine the choice of universal vs. selective immunization. Rather, the cost of vaccine, the accessibility of the target populations, and the vaccine coverage attainable in practice influence the choice of strategy. Either universal or selective immunization should, if properly implemented, eventually control rubella and congenital rubella infection. However, the choice of universal immunization recognizes the difficulty involved in immunizing 100% of the women of childbearing age, and the universal strategy offers the advantage of rapidly reducing congenital rubella infection by interrupting transmission and provides early protection to unvaccinated individuals by reducing their risk of exposure.

Adolescent↗

Demonstration of a universal surface DNA computer.

A fundamental concept in computer science is that of the universal Turing machine, which is an abstract definition of a general purpose computer. A general purpose (universal) computer is defined as one which can compute anything that is computable. It has been shown that any computer which is able to simulate Boolean logic circuits of any complexity is such a general purpose computer. The field of DNA computing was founded in 1994 by Adleman's solution of a 7-bit instance of the Hamiltonian path problem. This work, as well as most of the subsequent experimental and theoretical investigations in the area, focused primarily upon the solution of NP-complete problems, which are a subset of the larger universal class of problems. In the present work a surface DNA computer capable of simulating Boolean logic circuits is demonstrated. This was done by constructing NOR and OR gates and combining them into a simple logic circuit. The NOR gate is one of the universal gates in Boolean logic, meaning that any other logic gate can be built from it alone. The circuit was solved using DNA-based operations, demonstrating the universal nature of this surface DNA computing model.

Computers, Molecular↗

The New York State universal newborn hearing screening demonstration project: introduction and overview.

OBJECTIVE: To determine the feasibility of universal newborn hearing screening, including intervention of identified infants, in the state of New York. DESIGN: The New York State Department of Health issued a request for proposals that invited regional perinatal centers to apply for funding to implement universal newborn hearing screening. Hospitals were free to choose their own protocols but were to use physiologically based measures to screen infants for possible hearing loss. Criteria for passing the screening measures were common across sites. Infants failing the screening were to have diagnostic testing. Identified infants were to be followed by the state's Early Intervention Program and its associated Infant-Child Health Assessment Program. RESULTS: Seven regional perinatal centers (eight hospitals) representing the various regions of the state were funded for 3 yr to implement universal newborn hearing screening and follow-up of identified infants. Detailed data analysis was performed for inpatient, outpatient, and intervention outcome measures and for the various protocols. Most of the outcome measures were analyzed in terms of year of program operation, nursery type, and geographic region of the state. CONCLUSIONS: Universal newborn hearing screening was feasible in regional perinatal centers across the state of New York. The average ages of identification of hearing loss, hearing aid fitting, and enrollment in early intervention were less than those reported in published studies where universal newborn hearing screening was not in place.

Feasibility Studies↗

Hepatitis B infection in Minnesota: a case for universal immunization.

BACKGROUND: In 1993, the Minnesota Department of Health focused on using multiple vaccination strategies to prevent the transmission of hepatitis B virus. METHODS: Strategies aggressively pursued included the universal screening of pregnant women for hepatitis B surface antigen (HBsAg) and the universal vaccination of infants and adolescents. Universal strategies were deemed necessary because previous selective vaccination of high risk groups had failed to significantly reduce hepatitis B transmission. RESULTS: Surveillance data showed that in Minnesota from 1994 to 1996, the universal HBsAg screening of pregnant women identified 761 infants born to HBsAg-positive women. The vast majority of these at risk infants received prophylactic treatment and were vaccinated at birth. Vaccination coverage was 78% (+/-4.2%, 95% confidence interval) for children ages 19 to 35 months who were born between August, 1993, and November, 1995. Most counties in Minnesota rarely report any cases of hepatitis B, and since 1991, less than 100 acute cases per year have been reported for the entire state. CONCLUSIONS: The Minnesota Department of Health has demonstrated that implementation of universal hepatitis B vaccination strategies can be successful among a generally low risk population.

Adolescent↗

Universal features and tail analysis of the order-parameter distribution of the two-dimensional Ising model: an entropic sampling Monte Carlo study.

We present a numerical study of the order-parameter probability density function (PDF) of the square Ising model for lattices with linear sizes L = 80 - 140. A recent efficient entropic sampling scheme, combining the Wang-Landau and broad histogram methods and based on the high levels of the Wang-Landau process in dominant energy subspaces is employed. We find that for large lattices there exists a stable window of the scaled order-parameter in which the full ansatz including the pre-exponential factor for the tail regime of the universal PDF is well obeyed. This window is used to estimate the equation of state exponent and to observe the behavior of the universal constants implicit in the functional form of the universal PDF. The probability densities are used to estimate the universal Privman-Fisher coefficient and to investigate whether one could obtain reliable estimates of the universal constants controlling the asymptotic behavior of the tail regime.

Journal Article↗

A transparently scalable visualization architecture for exploring the universe.

Modern astronomical instruments produce enormous amounts of three-dimensional data describing the physical Universe. The currently available data sets range from the solar system to nearby stars and portions of the Milky Way Galaxy, including the interstellar medium and some extrasolar planets, and extend out to include galaxies billions of light years away. Because of its gigantic scale and the fact that it is dominated by empty space, modeling and rendering the Universe is very different from modeling and rendering ordinary three-dimensional virtual worlds at human scales. Our purpose is to introduce a comprehensive approach to an architecture solving this visualization problem that encompasses the entire Universe while seeking to be as scale-neutral as possible. One key element is the representation of model-rendering procedures using power scaled coordinates (PSC), along with various PSC-based techniques that we have devised to generalize and optimize the conventional graphics framework to the scale domains of astronomical visualization. Employing this architecture, we have developed an assortment of scale-independent modeling and rendering methods for a large variety of astronomical models, and have demonstrated scale-insensitive interactive visualizations of the physical Universe covering scales ranging from human scale to the Earth, to the solar system, to the Milky Way Galaxy, and to the entire observable Universe.

Algorithms↗

Difference of the 28-item general health questionnaire scores between Japanese high school and university students.

The General Health Questionnaire (GHQ) with 28 items was tested in Nagasaki city on 138 senior students in a prefectural high school and 685 freshmen in a national university to evaluate the degree of students' mental stress due to the highly competitive entrance examination for university. The average GHQ score tested on high school students was 5.33 for males and 7.07 for females, and 3.99 for males and 4.42 for females on university students. It showed that high school students were under greater pressure than university students and female students were in a higher tension compared with male students. The factor analysis showed that the primary and secondary factor of high school students were "severe depression" and "anxiety and insomnia," while "somatic symptoms" were the primary factor causing stress in university students.

Adolescent↗

Decreased sepsis related to indwelling venous access devices coincident with implementation of universal leukoreduction of blood transfusions.

BACKGROUND: Randomized trials and animal models demonstrate that leukoreduction of transfusions can reduce the risk of post-operative infections. We performed a retrospective study of sepsis related to indwelling venous access devices (line related infections) before and after the July 2000 implementation of universal leukoreduction. METHODS: Line related infection data were collected from hospital infection control records for an 18-month period before and after July 2000. Transfusion histories were obtained from transfusion service records. RESULTS: Line related infections decreased in number from 150 to 98 (-35%) in transfused patients after implementation of universal leukoreduction, whereas line related infections increased from 41 to 45 (+10%) in nontransfused patients (p = 0.04). This corresponded to a decrease from 5.3 to 3.3 infections/10,000 patient days in transfused patients (p = 0.002). The infection rate remained stable in nontransfused patients at 1.5 infections/10,000 patient days both pre- and postimplementation of universal leukoreduction. Quantitatively similar decreases (33-45%) were seen in transfused surgical, medical and pediatric patients. CONCLUSIONS: A substantial and statistically significant decrease in line related infections occurred coincident with implementation of universal leukoreduction. These improved outcomes were observed in transfused but not nontransfused patients, across all clinical services, suggesting a causal relationship with universal leukoreduction.

Adolescent↗

International students at an American university: health problems and status.

Eighty-eight international students enrolled at the University of Toledo were surveyed in order to ascertain their health care needs since arriving at the university. This study of the health status of international students indicated that the four leading problems experienced since arriving at the university were fatigue, homesickness, headaches and colds. Fatigue and colds were more commonly reported by students from Latin America than those from Asia or the Middle East. Both community health services and the university health service are not used by a majority of international students. Friends and the telephone book yellow pages are the most commonly used sources for finding a physician if one becomes sick. The drug store was indicated as being the place the international students would go for medicine if they became sick. The findings of this study suggest that international students must be oriented to the health services available in the community and at the university health service. A health education program needs to be conducted to inform these students about personal health practices and available services.

Asia↗

Evolution of universal grammar.

Universal grammar specifies the mechanism of language acquisition. It determines the range of grammatical hypothesis that children entertain during language learning and the procedure they use for evaluating input sentences. How universal grammar arose is a major challenge for evolutionary biology. We present a mathematical framework for the evolutionary dynamics of grammar learning. The central result is a coherence threshold, which specifies the condition for a universal grammar to induce coherent communication within a population. We study selection of grammars within the same universal grammar and competition between different universal grammars. We calculate the condition under which natural selection favors the emergence of rule-based, generative grammars that underlie complex language.

Algorithms↗

Changing carriage rate of Neisseria meningitidis among university students during the first week of term: cross sectional study.

OBJECTIVE: To determine the rates of, and risk factors for, meningococcal carriage and acquisition among university students. DESIGN: Repeated cross sectional study. PARTICIPANTS: 2,507 students in their first year at university. MAIN OUTCOME MEASURES: Prevalence of carriage of meningococci and risk factors for carriage and acquisition of meningococci. RESULTS: Carriage rates for meningoccoci increased rapidly in the first week of term from 6.9% on day 1, to 11.2% on day 2, to 19.0% on day 3, and to 23.1% on day 4. The average carriage rate during the first week of term in October among students living in catered halls was 13.9%. By November this had risen to 31.0% and in December it had reached 34. 2%. Independent associations for acquisition of meningococci in the autumn term were frequency of visits to a hall bar (5-7 visits: odds ratio 2.7, 95% confidence interval 1.5 to 4.8), active smoking (1.6, 1.0 to 2.6), being male (1.6, 1.2 to 2.2), visits to night clubs (1. 3, 1.0 to 1.6), and intimate kissing (1.4, 1.0 to 1.8). Lower rates of acquisition were found in female only halls (0.5, 0.3 to 0.9). The most commonly acquired meningococcal strain was C2a P1.5 (P1.2), which has been implicated in clusters of invasive meningococcal disease at other UK universities. CONCLUSIONS: Carriage rates of meningococci among university students increase rapidly in the first week of term, with further increases during the term. The rapid rate of acquisition may explain the increased risk of invasive meningococcal disease and the timing of cases and outbreaks in university students.

Activities of Daily Living↗

Short-term impact of a university based smoke free campaign.

STUDY OBJECTIVE: The aim of this study was to evaluate the impact of a smoke free programme implemented at the University of Geneva, Switzerland, in 1996. This programme included a prohibition to smoke in university buildings everywhere except in limited areas, and a smoking cessation counselling service. METHODS: Surveys were conducted before and four months after the programme was implemented, in representative samples of programme participants (n = 833) and university members not exposed to the programme (n = 1023). RESULTS: In retrospective assessments, participants reported being less bothered by environmental tobacco smoke after programme implementation, but no between group difference was detected in prospective assessments. Relationships between smokers and non-smokers improved moderately in the intervention group and remained unchanged in the comparison group (between group p = 0.001). Proportions of smokers who attempted to quit smoking in the past four months increased from 2.0% to 3.8% in the intervention group and remained unchanged at 3.5% in the comparison group (between group difference: p = 0.048). No impact on smoking prevalence (25%) was detected. The programme was appreciated by university members, although some of its modalities were criticised. CONCLUSION: A regulation prohibiting smoking everywhere but in limited areas of university buildings was acceptable and reduced the perception of bother by environmental tobacco smoke. It did not, however, influence smoking habits or attitudes toward smoking.

Adult↗

The Program for Public Psychiatry: state-university collaboration in Colorado.

A major focus of state-university collaboration programs in psychiatry has been providing services and manpower from the university to the public mental health system, which in turns provides valuable educational experiences to the university. The Program for Public Psychiatry, a state-university collaboration program in Colorado, was founded on a 25-year relationship between the department of psychiatry at the University of Colorado Health Sciences Center and the Colorado Division of Mental Health. The program has enabled Colorado's two state hospitals and most of its urban community mental health centers to almost completely fill previously vacant psychiatric positions. The collaboration has expanded to include programs for forensic psychiatry and developmental disabilities, as well as to fund educational and research missions in developing the public psychiatric work force.

Academic Medical Centers↗

The MMPI-2 profile of adults with learning disabilities in university and rehabilitation settings.

The primary purpose of this study was to compare the personality profiles of adults with learning disabilities attending a large state university (8 females, 8 males) to those participating in training programs in a rehabilitation setting (8 females, 18 males), in an attempt to identify affective variables that should be considered in transitional and postsecondary program planning. A secondary purpose of the study was to compare the performance of two groups of adults with learning disabilities (i.e., university and rehabilitation) to a normative group of college students. The mean age for all subjects was between 20 and 23 years. Findings from the study indicated that the personality profiles of individuals with learning disabilities in either a rehabilitation setting or seeking a university degree are significantly different from those of the normative population of normally achieving college students. The rehabilitation group in this study demonstrated feelings of social isolation, poor self-concept, self-doubt, and extreme restlessness. Somewhat different profiles were seen with the university group as they indicated feelings of fear, obsessive thoughts, lack of self-confidence, self-doubt, and extreme self-criticism. Both groups demonstrated profiles of individuals under extreme short- and long-term stress leading to anxiety. The study also reviewed the relevance and appropriateness of using the Minnesota Multiphasic Personality Inventory-2 (MMPI-2) that will have direct application for the assessment and intervention of adults with learning disabilities either in a rehabilitation setting or seeking a university degree.

Adolescent↗