bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of reduced density matrices in the co‐ordinate representation. III. Electron density and correlation in the ground states of H2 and the H6 ring system within some approximations of the simple LCAO type
Authors: Sperber Gunnar
Published: December 2004

The electron density and spatial correlation as given by the MO, VB and AMO methods for H2 and H6 are studied by means of diagrams. For comparison, diagrams representing accurate wave functions for H2 are also given. The study of model functions representing localized bonds leads to results concerning the nature of localized electron pairs in agreement with those of Lennard‐Jones.
Theoretical calculations on σ‐systems. III. Alkyl halides and alkanes
Authors: Bhattacharyya Subirnath , Bhaumik Amiyansu
Published: December 2004

Various aspects of Del Re's method, its extension and correlation with important properties such as nuclear quadrupole coupling constants and spin‐spin coupling constants are discussed. The Del Re parameters for the C–I bond have been evaluated and those for the C–F bond modified. The bond energies and the heats of formation for several σ‐systems have been calculated; the energies of a “bond‐orbital” for several alkanes have been found to be related with their ionization potentials.
Vibrational matrix elements of the quadrupole moment functions of H2, N2 and CO
Authors: Truhlar Donald G.
Published: December 2004

The quadrupole moment functions (molecular quadrupole moment versus internuclear distance) have been determined by quantum mechanical calculations for H2 (by Kolos and Wolniewicz), N2 (by Wahl and Nesbet), and CO (by Nesbet). These functions are used with numerical vibrational wave functions to compute matrix elements which are useful for calculations of scattering cross sections, energy transfer rates and excitation probabilities, and infrared intensities of forbidden bands.
Gauge invariant gaussian orbitals and the ab initio calculation of diamagnetic susceptibility for molecules
Authors: Hall G. G.
Published: December 2004

It is shown that gauge terms can be introduced into the Gaussian functions used as the basis functions for an ab initio calculation of the energy of a molecule in the presence of a uniform magnetic field so that all the integrals become independent of the origin of the vector potential. The perturbation treatment of the diamagnetic susceptibility is considered in the molecular orbital approximation. The results show that the susceptibility can be calculated using only the unperturbed orbitals and their first‐order corrections. All the integrals that arise can be expressed in terms of known functions.
Theorie des Orbitals Moleculaires: Recherche d'une Base STO Homogene pour les Atomes Alcalins et Leur Serie Isoelectronique
Authors: Marinelli Francis
Published: December 2004

A method of direct treatment of valence electrons is proposed for the various 2S, 2P,2D, 2F states of the lithium, sodium, and potassium atoms and the corresponding isoelectronic ions. The function describing the outer electron, which is orthogonal to the wave functions of the electrons in the core, is given as a linear combination of generalized Laguerre functions, with effective charges Q = 1, 2 …︁ equal to the charges of the core.

A simpler analytical STO function, with non‐integer principal quantum number n is then proposed.
Importance sampling in local energy calculations on H2
Authors: Ehrenson S. , Harp G. D.
Published: December 2004

The importance sampling method of point selection has been used in the local energy framework to obtain least‐squares solutions of the Schrödinger equation for a variety of H2 functions. It is shown that good results are obtainable with relatively small samples, and that the method is rather insensitive within broad limits to the nature of the weighting function employed. Expectation values for a number of operators besides the energy are examined. The energy variances are likewise scrutinized and attempts are made to rationalize their behavior in terms of how and to what extent sample points are chosen.
The use of irreducible operators for determining the complete set of linearly independent crystal field parameters
Authors: Soliverez Carlos E.
Published: December 2004

A general method is given for finding the complete set of linearly independent crystal field parameters from symmetry arguments. No recourse is made to expansions of the crystal field in terms of spherical harmonics. The core of the method lies in an extension of the known zero‐trace property of tensor operators, to the case of irreducible operators.
Selected valence electron split‐shell molecular orbital calculations on the diatomic interhalogen molecules
Authors: Sannigrahi A. B. , Mohammad S. Noor
Published: December 2004

Selected valence electron split‐shell molecular orbital calculations have been performed on the diatomic interhalogen molecules in order to obtain their binding energies, equilibrium internuclear distances, vibrational force constants, dipole moments and nuclear quadrupole coupling constants. The results are compared with the corresponding closedshell values and with those of some previous semiempirical and nonempirical all valence electron calculations. It is observed that the selected valence electron split‐shell molecular orbital method which involves the least amount of computations yields results in better agreement with experiment than other methods.
A technique for orbital exponent optimization in ab initio HFSCFLCAOMO calculations
Authors: Loubriel G. M. , Selsby R. G.
Published: December 2004

A technique for Slater orbital exponent optimization in an HFSCFLCAOMO calculation is proposed in which orbital exponent variation is incorporated into the SCF scheme. This is accomplished by rewriting Slater's rules so that the shielding terms depend on the molecular charge distribution through the elements of the population matrix. The SCF scheme then includes a calculation of a new set of orbital exponents from the coefficients of self‐consistent molecular orbitals obtained from the previous set of exponents. The process is iterated until the energy attains its lowest value.

The technique is illustrated by minimal basis calculations on LiH, BH, and HF. Near optimization is obtained with considerably less effort than is necessary for other reported techniques. Aside from interesting properties, the technique can be important for extended basis calculations where exponent optimization is a difficult task.
Nonbonded interactions in membrane active cyclic biopolymers. I. Valinomycin–potassium ion complex
Authors: Sundaram K.
Published: December 2004

A method for quantitative comparison of various conformers of cyclic macromolecules in terms of nonbonded interaction energy terms is proposed. The first step in the procedure is an analytical evaluation of a set of Cartesian atomic coordinates consistent with the ring closure condition and prescribed values for internal parameters. A variant of the same technique enables different conformations of the macromolecule to be generated. Nonbonded interactions of the electrostatic, polarization and dispersion type and van der Waals repulsion are calculated using the generated coordinates, empirical bond polarizability data and results of simple molecular orbital calculations. An application of the proposed techniques to the closed symmetric conformation of valinomycin indicates that the macromolecule by itself is somewhat constrained in this state but that its affinity for a potassium ion is very strong—much stronger than the hydration energy of the latter.
Electrostatic molecular potentials: Mulliken approximation
Authors: Carbó Ramón , Martin Miguel
Published: December 2004

The electrostatic potential is calculated, in the LCAO framework, through Mulliken's approximation. An extremely simplified form of the potential expression is obtained, with a degree of accuracy comparable to a full ab initio treatment. Other related possible simplifications are also discussed.
Exclusion principle and the symmetry adapted wave‐functions
Authors: Lim T. K.
Published: December 2004

Wave‐functions of various spin‐dependent and spin‐free methods are examined from the point of view of the requirements of the exclusion principle and the spin projection. It is shown that the “two‐rowed” or “two‐columned” requirements of the standard Young tableaux are necessary but not sufficient to replace the “antisymmetry” requirement of a wave‐function and to be regarded as exclusion principle. The symmetry adapted wave‐functions which are constructed from the matric basis e may not satisfy the exclusion principle and, hence, their usages are open to question. The appropriate symmetry adapted wave‐functions which satisfied the exclusion principle are given for any pure spin state. We have also shown that the structure operators NP for bond functions are spin projectors in the Waller‐Hartree double‐antisymmetrized space only, and should not be used in the Hartree product space. Furthermore, if the corresponding matric operators PNP are used in the Hartree product space, then the wave‐functions thus constructed may not be antisymmetric with respect to the permutations of indistinguishable electrons.
Light absorption at high intensities. Comparison of quantum theory and semi‐classical results
Authors: Schurr J. Michael
Published: December 2004

An error in the author's previous treatment of the interaction of an absorber with high intensity light is noted. The correct development of Mower is applied to determine the amplitude of the initial state of the radiation‐matter system. Comparison of the quantum theory solution for a damped absorber exposed to a square light pulse with the results of semiclassical theories based on the undamped optical Bloch equations is effected by determining the effective in‐ and out‐of‐phase components of the transition dipole response.

In general, the out‐of‐phase (or absorptive) part of the transition dipole is zero at the outset and strongly time‐dependent at short times, evolving to a steady‐state value at longer times. For resonance radiation the system exhibits either overdamped irreversible decay or underdamped oscillations, depending upon the relative magnitudes of the incident light intensity and the radiative damping rate. Specific results are presented for a variety of limiting values of the physical parameters, including light intensity, damping rate, and amount of off‐resonance.
Best optimized one‐electron wave functions. I. The general procedure of optimization
Authors: Jakubowski P.
Published: December 2004

A new effective semiempirical method of optimization of one‐electron wave‐functions has been proposed without a necessity to determine any exact many‐electron wave‐function. The method designed for LCAO MO calculations is based on a concept of interacting quasi‐particles and on nonorthogonal spin‐orbitals. “Mixing” of the pure single‐particle wave‐functions is optimized by means of the procedure which requires only one empirical parameter for each considered state of a whole system. The procedure results in optimal distribution of total electron charge between the individual spin‐orbitals. The general method has been illustrated with calculations for the ground state of lithium atom.
Best optimized one‐electron wave‐functions. II. Isoelectronic series of Li, Be, B, and C
Authors: Jakubowski P.
Published: December 2004

A study of selected electronic properties for isoelectronic series of Li, Be, B, and C has been presented. The study is based on the recently developed procedure of optimization of atomic spin‐orbitals.
Hybrid orbitals and the runge–lenz vector
Authors: Lohr Lawrence L.
Published: December 2004

Matrix elements of the Runge–Lenz vector A are presented for those linear combinations of degenerate hydrogenic functions often referred to as hybrid orbitals. The uncertainties in the components of A for each type of wave‐function are related to the distribution of classical Kepler orbits corresponding to each function. Matrix elements of A with respect to radially nodeless Slater functions are presented, as these functions are often used as a basis set in atomic and molecular calculations. The properties of A for a piecewise Coulombic central field are discussed in relation to the description of penetrating orbits in the old quantum theory. Simultaneous eigenfunctions of A and the Hamiltonian cannot be chosen for the piecewise Coulombic field because of a discontinuity in the radial derivative of the potential energy.
Energy bands of sp‐hybrid crystals in the many‐neighbor approximation
Authors: Davison Syndey G. , Foo E‐Ni
Published: December 2004

The many‐neighbor approximation (MNA) is a molecular orbital approach in which the nth nearest‐neighbor interaction is written in terms of the nth power of the next‐nearest‐neighbor (NNN) interaction parameter ρ(<1). By adopting such an approach, an examination is made of the effect of the MN interactions on the crossed‐band structure of sp‐hybrid crystals. The results obtained show that the MN interactions cause the two allowed bands to expand, with increasing ρ, at the expense of the band gap. The significance of this gap reduction for Shockley surface states is briefly discussed.
Calculation of intermolecular interactions within the PCILO framework
Authors: Lochmann R. , Weller T.
Published: December 2004

The PCILO method was used to calculate the intermolecular interaction of London–van der Waals type, hydrogen bonding type, and charge transfer type interactions, respectively. The stabilization energies of the calculated supermolecules are:

0.85 kcal · mole−1 for the nonane dimer,

4.15 kcal · mole−1 for the water dimer, and

3.60 kcal · mole−1 for the butene‐2‐cis‐Li+ complex.

The analysis of the individual contributions of the energy reflects well the mechanism of the intermolecular interaction.
S, Sr, and Pb isotopic systematics of hydrothermal chimney precipitates from the Eastern Manus Basin, western Pacific: Evaluation of magmatic contribution to hydrothermal system
Authors: Kim Jonguk , Lee Insung , Lee Kyeong‐Yong
Published: December 2004

Sulfur, strontium, and lead isotopic analyses were performed on chimneys from the hydrothermal vent fields (the PACMANUS and Susu knolls) in the eastern Manus back arc basin. Lead isotope composition varies in a narrow range (206Pb/204Pb = 18.75–18.78, 207Pb/204Pb = 15.51–15.54, and 208Pb/204Pb = 38.31–38.40). Strontium isotopic ratios (87Sr/86Sr) of sulfate minerals vary from 0.7051 to 0.7077, falling between those of seawater (0.7090) and the hydrothermal fluid end‐member (0.7050). The δ34S values of the chimneys are −8.0 to −3.9‰ for the Susu knolls sulfide, +1.0 to +4.3‰ for the PACMANUS sulfides, and +7.4 to +20.6‰ for sulfate. The Susu knolls sulfides have the lowest values so far reported for volcanic‐hosted massive sulfides from modern seafloor. The low δ34S values of sulfates and sulfides cannot be explained by a simple seawater circulation model without an additional source of light sulfur. This is also supported by the presence of sulfate in hydrothermal end‐member fluid indicated by sulfur and strontium isotopic ratios in chimney sulfates. Biogenic sulfur and/or oxidation of H2S after boiling are excluded from the possible sources of light sulfur because of the lack of sediment cover and nonequilibrium in isotopic fractionation by boiling at seafloor. Disproportionation of magmatic SO2, introduced into hydrothermal system through preeruptive degassing, is the most plausible mechanism for the observed low δ34S values. The lighter δ34S values and more radiogenic lead isotope compositions of the Susu knolls samples indicate that magmatic degassing was more vigorous at the Susu knolls than PACMANUS.
Temporal patterns of parasitism in Diatraea saccharalis Fabr. (Lep., Crambidae) populations at different spatial scales in sugarcane fields in Brazil
Authors: Rossi M. N. , Fowler H. G.
Published: December 2004

Biological control of Diatraea saccharalis is regarded as one of the best examples of successful classical biological control in Brazil. Since the introduction of the exotic parasitoid, Cotesia flavipes, from Pakistan at the beginning of the 1970s, decrease in D. saccharalis infestation in sugarcane fields has been attributed to the effectiveness of this agent. Recently, the native Tachinidae fly parasitoids (Lydella minense and Paratheresia claripalpis) have also been implicated in this success. However, quantitative data confirming the actual contribution of these agents to the control of D. saccharalis are rather limited. The purpose of this study was to investigate the dynamics of the interactions between D. saccharalis and its parasitoids, emphasizing the temporal patterns of parasitism. To investigate this question, a large data set comprising information collected from two sugarcane mills located in the state of São Paulo, Brazil (Barra and São João sugarcane mills), was analysed. Basically, the data set contained monthly information about the number of D. saccharalis larvae and their parasitoids in each sample (man‐hour per sample), the sugarcane varieties cultivated, the age of the sugarcane plants (only at the São João sugarcane mill) as well as the sugarcane cut at sampling time. The data were collected from March 1984 to March 1997 and from May 1982 to December 1996 for the Barra and São João sugarcane mills, respectively. Temporal inverse density‐dependent parasitism was predominant for both parasitoid species with respect to all spatial scales. Although the temporal pattern of parasitism was not directly density dependent, it was evident that the tachinids and C. flavipes presented positive numerical responses according to variations in D. saccharalis densities through time.
Superinduction of P‐glycoprotein messenger RNA in vivo in the presence of transcriptional inhibitors
Authors: Lee Chow H. , Ling Victor
Published: December 2004

P‐Glycoprotein (P‐gp) is comprised of a small family of plasma membrane proteins, and its presence in high amounts often correlates with multidrug resistance in cultured cells. Dramatically increased levels of a single member of P‐gp mRNA (pgp2) have been observed in experimental liver carcinogenesis models, during liver regeneration, upon culturing of hepatocytes and in the uterus of pregnant animals. In all cases, the increase in mRNA level appears to be the result of an increase in mRNA half‐life (stability). Previously, we have used transcriptional inhibitors α‐amanitin and actinomycin D to measure P‐gp mRNA half‐life in normal liver and in liver tumors. We showed that the level of all three P‐gp mRNAs decreased with time in the presence of transcriptional inhibitors, yielding measured half‐lives of less than 2 h in liver but greater than 12 h in liver tumors. This observation raised the possibility that regulation of P‐gp mRNA stability plays a role in liver carcinogenesis. In the present study, we measured P‐gp mRNA half‐life in other normal tissues to determine if a short P‐gp mRNA half‐life is unique to the liver. Our study reveals that in contrast to liver, measured P‐gp mRNA half‐lives in most tissues examined are greater than 12 h. Moreover, we observed an unexpected, marked increase in the level of pgp2 mRNA with time after injection of transcriptional inhibitors. This can only be explained if the transcriptional inhibitors directly or indirectly inhibit the normally high degradation rate of pgp2 mRNA, resulting in the superinduction of this mRNA. These findings have implications for our understanding of the regulation of P‐gp gene expression and drug resistance in vivo.
Phosphatidylcholine‐derived phosphatidic acid and diacylglycerol are involved in the signaling pathways activated by docetaxel
Authors: Maestre Nicolas , Bezombes Christine , Plo Isabelle , Levade Thierry , Lavelle François , Laurent Guy , Jaffrézou Jean‐Pierre
Published: December 2004

Taxanes are known to activate several cellular signals including mitogen‐activated protein kinase (MAPK) and nuclear factor kappa B (NF‐κB), tyrosine phosphorylation of Shc, and serine phosphorylation of Bcl‐2. However, the mediators of these signaling pathways are unknown. Using U937 leukemic cells, we evaluated the effect of docetaxel on phosphatidylcholine (PC) and its metabolites, phosphatidic acid (PA) and diacylglycerol (DAG), and their impact on MAPK and NF‐κB activation, as well as on Raf‐1 and Bcl‐2 phosphorylation. Metabolic labeling studies showed that docetaxel (10 nM) induced two waves of PA production (130–140%), which were detected at 1 and 10 min. Docetaxel also stimulated DAG production (130%), which followed the first PA wave. The initial PA burst was due to phospholipase D (PLD)‐mediated PC hydrolysis. Subsequent DAG production was inhibited by the phosphatidate phosphohydrolase (PAP) inhibitor, propranolol. R59949, a DAG kinase inhibitor, increased DAG accumulation and blocked the second PA wave. These results suggest that docetaxel triggers a metabolic cascade consisting in PLD‐mediated PC hydrolysis, PA release, PAP‐dependent DAG production, and DAG kinase stimulation, leading to DAG conversion back to PA. Neither R59949 nor propranolol influenced docetaxel‐induced Raf‐1/ERK activation. However, R59949 abrogated both NF‐κB activation and Bcl‐2 phosphorylation, suggesting that DAG and/or DAG‐derived PA contribute in regulating these events.
Cowpea bruchid Callosobruchus maculatus uses a three‐component strategy to overcome a plant defensive cysteine protease inhibitor
Authors: Zhu‐Salzman K. , Koiwa H. , Salzman R. A. , Shade R. E. , Ahn J.‐E.
Published: December 2004

The soybean cysteine protease inhibitor, soyacystatin N (scN), negatively impacts growth and development of the cowpea bruchid, Callosobruchus maculatus[Koiwa et al. (1998) Plant J 14: 371–379]. However, the developmental delay and feeding inhibition caused by dietary scN occurred only during the early developmental stages (the 1st, 2nd and 3rd instars) of the cowpea bruchid. The 4th instar larvae reared on scN diet (adapted) exhibited rates of feeding and development which were comparable to those feeding on an scN‐free diet (unadapted) prior to pupation. Total gut proteolytic capacity at this larval stage significantly increased in the scN‐adapted insects. The elevated enzymatic activity was attributed to a differential expression of insect gut cysteine proteases (representing the major digestive enzymes), and of aspartic proteases. scN degradation by the gut extract was observed only in adapted bruchids, and this activity appeared to be a combined effect of scN‐induced cysteine and aspartic proteases. Thirty cDNAs encoding cathepsin L‐like cysteine proteases were isolated from insect guts, and they were differentially regulated by dietary scN. Our results suggest that the cowpea bruchid adapts to the challenge of scN by qualitative and quantitative remodelling of its digestive protease complement, and by activating scN‐degrading protease activity.
Patients' perceptions of the pre‐operative information they need about events they may experience in the intensive care unit
Authors: Watts Sarah , Brooks Ade
Published: December 2004

Through a descriptive survey, this study examined the pre‐operative information which patients need about the events they may experience in intensive care, when they are admitted there following elective surgery. A subsidiary aim was to find out how they felt this information should be delivered. Questionnaires were posted to a convenience sample of 57 people who had been admitted post‐operatively to one ICU in the past year. Forty‐three (75%) of the questionnaires were returned and were analysed with the five returned in the pilot study. The results suggested that pre‐operative information about ICU was perceived helpful by all respondents, particularly the management of pain and nausea, the likely site of pain, mouth care, the high nurse: patient ratio and having a urinary catheter. Information rated helpful less frequently, included noise levels, visiting times and men and women being nursed in the same room. The most popular method for receiving the information was via a pre‐operative visit from a nurse working in ICU. In view of the sampling procedure and the validity of data collection methods, these findings cannot be generalized.
Building a relationship: communications and relationships between staff and stroke patients on a rehabilitation ward
Authors: Jones Marion , O'Neill Paul , Waterman Heather , Webb Christine
Published: December 2004

Communications among staff and patients on a stroke rehabilitation ward form the focus of this article, which reports on some aspects of a larger study using a grounded theory approach. Tape‐recorded interviews were transcribed and analysed concurrently according to recommendations for the approach. A main theme entitled building a relationship was identified, and this process was found to occur in a context varying from participative at one end of a continuum to hierarchical at the other. Building a relationship was found to be influenced by role, personal qualities and organizational context. Appropriate relationships between role‐holders were subject to negotiation, leading to a resulting congruence or incongruence between participants' expectations of each other and their roles. Personal qualities were brought into play in the process, with patients' views of staff and staff views of patients both being influential. Some of these views seemed to parallel what has been described in earlier literature as ‘the sick role’ and the labelling of patients as ‘good’ or ‘bad’. Responses to personal qualities led to nurses ascribing meaning to patients' behaviour in terms of adjustment to their stroke, giving time to them to help them to adjust, and withdrawal and handing over to other staff if this strategy failed. Organizational context also had an influence on building a relationship, with time constraints being identified particularly by nurses, and the need to fit in the most essential aspects of care. Place was also important, in that nurses were confined to the ward as a work location, whereas other therapists and doctors worked in other places and sometimes had the facility to take patients off the ward to concentrate on therapy. The findings are discussed against the background of related literature and the conclusion is drawn that the crucial role of nurses in rehabilitation is not recognized and valued, and that shortages of resources ‐ especially suitably qualified and trained nursing staff‐ are a negative influence on building the relationships which are vital to successful rehabilitation.
Theory‐based nursing practice
Authors: Raudonis Barbara M. , Acton Gayle J.
Published: December 2004

Theory provides nurses with a perspective with which to view client situations, a way to organize the hundreds of data bits encountered in the day‐to‐day care of clients, and a way to analyse and interpret the information. A theoretical perspective allows the nurse to plan and implement care purposefully and proactively. When nurses practice purposefully and systematically, they are more efficient, have better control over the outcomes of their care, and are better able to communicate with others. Health care agencies can designate a specific nursing theory to guide the nursing practice within the entire organization. The critical component in choosing a nursing theory for an organization is the ‘fit’ between the philosophical assumptions of the organization and the theory. Modelling and role‐modelling, a theory and paradigm for nursing, can be implemented in any setting. Hospice is a concept of care, not a place. Hospice care illustrates the excellent ‘fit’ between an existing philosophy of care and theory‐based nursing practice. The ‘fit’ is based on the similarity of the philosophical assumptions of hospice and the nursing theory of modelling and role‐modelling.
Obesity in people with intellectual disabilities: the impact of nurse‐led health screenings and health promotion activities
Authors: Marshall David , McConkey Roy , Moore Gordon
Published: December 2004

Background.  Obesity appears to be more common among people with intellectual disabilities, with few studies focusing on achieving weight reduction.

Aim.  Firstly, to follow‐up people identified as overweight and obese following special health screening clinics and to determine the actions taken. Secondly, to evaluate the impact of health promotion classes on participants' weight loss.

Methods.
 A clinic led by two learning disability nurses was held for all people aged 10 years and over (
n  = 464) who attended special services within the area of one Health and Social Services Trust in Northern Ireland. In a second study, the nurses organized health promotion classes for 20 people over a 6‐ or 8‐week period.

Findings.  The health screen identified 64% of adults and 26% of 10–19‐year olds as being overweight or obese. Moreover, those aged 40–49 years who were obese had significantly higher levels of blood pressure. However, information obtained from a follow‐up questionnaire sent after 3 months suggested that of the 122 people identified for weight reduction, action had been taken for only 34% of them and only three were reported to have lost weight. The health promotion classes, however, led to a significant reduction in weight and body mass index scores.

Conclusions.
 Health screening
per se has limited impact on reducing obesity levels in this client group. Rather, health personnel such as general practitioners, nurses and health promotion staff need to work in partnership with service staff, carers and people with intellectual disabilities to create more active lifestyles.
Self‐respect, dignity and confidence: conceptions of integrity among male patients
Authors: Widäng Ingrid , Fridlund Bengt
Published: December 2004

Background. Integrity is a complex and important concept in ethical reasoning and in nursing care. Integrity is part of being a human being, a wholeness, and in this sense it also refers to health. Preserving patients' integrity is an important aspect of nursing care, as a number of situations arise in which they can feel threatened or violated. Integrity can also refer to acting according to general ethical principles and rules, i.e. moral integrity.

Aim. The aim of this Swedish study was to describe how male patients conceive integrity.

Methods. Seventeen male patients were strategically selected for interviews, which were analysed by a phenomenographical approach.

Findings. The patients expressed 12 different conceptions of integrity that were summarized into three description categories: self‐respect, dignity and confidence. This means that patients give themselves integrity when they believe in themselves, have the courage to set boundaries, have control over themselves and their situation, and have the possibility of being alone. Caregivers can preserve a patient's integrity by seeing him as trustworthy and as a whole person, and by showing respect. Confidence in a caring situation is characterized by trust in professionals, a balance between patients' and the caregivers' wishes, patient participation, the possibility of being free and confidentiality of information.

Discussion. Integrity could be described as what something ‘is’ and as a ‘relationship’ with oneself and others. It is imperative that caregivers are aware of patients' conceptions of integrity in order to identify and preserve their integrity and also so that they treat them in accordance with moral integrity. The findings are limited to male patients, and questions about female patients' conceptions are raised.
Nursing morale: what is it like and why?
Authors: Callaghan Margaret
Published: December 2004

Background. There has been increased concern in the United Kingdom about the problems of recruitment and retention in the nursing profession, and how this is influenced by low morale. Despite this, however, there are relatively few studies, particularly of a qualitative nature, where nurses are asked about their morale and what factors affect it.

Aims. The present study aimed to explore nursing morale and determine the factors which nurses believed to influence it. By doing so, it was hoped that factors which affect nurse recruitment and retention could be identified.

Methods. Fifty‐eight nurses (28 males, 30 females) working in the National Health Service in Scotland were interviewed in depth about their morale and their concerns about their career. Thematic analysis was carried out and a number of main issues emerged.

Findings. Morale in this group was very low. A large number of nurses were considering leaving the profession and the majority would discourage others from becoming a nurse. The themes that emerged, which related to their disillusionment, included low pay, lack of support for education, limited opportunity for promotion, lack of resources and job insecurity.

Conclusions. The findings suggest that while recent salary increases may have helped to improve morale, other factors must also be addressed if further decline in morale and a subsequent nursing shortage is to be avoided.
Childbirth expectations of Chinese first‐time pregnant women
Authors: Ip W.Y. , Chien W.T. , Chan C.L.
Published: December 2004

Background.  This topic had not been researched previously and the information gained could have implications for midwives working with Chinese women everywhere.

Aims.  To explore the specific childbirth expectations of Hong Kong Chinese first‐time pregnant women.

Methods.  This was a cross‐sectional descriptive survey study and a Chinese version of the Childbirth Expectations Questionnaire was used to collect data. The sample consisted of 186 first‐time pregnant women who first attended the antenatal clinic at a large public hospital in a major geographical region of Hong Kong.

Results.  Results showed that the Chinese pregnant women, the majority of who had not attended childbirth education classes, had high expectations of support from both their partners and midwives during labour and delivery. Conversely, expectations toward their own ability to cope with pain were relatively low. In addition, the pregnant women expressed concerns about the severity of labour pain and indicated low expectations about minimal use of medical interventions during labour.

Conclusions.  This study results add to the existing literature about childbirth expectations of first‐time pregnant Hong Kong Chinese women. Midwife educators should incorporate the findings into childbirth education classes to help pregnant women develop realistic and positive expectations.
Testing a theory of chronic pain
Authors: Tsai Pao‐Feng , Tak Sunghee , Moore Carole , Palencia Iris
Published: December 2004

Background.Chronic pain is highly prevalent among older people with arthritis, with depression as its major outcome. The psychopathological process of chronic pain and its outcomes in older people with arthritis have not been the subject of extensive research. The purpose of this study was to test a middle‐range theory of chronic pain derived from the Roy Adaptation Model, a nursing theory whose validity has not been tested in the context of chronic pain.

Methods.The study used a convenience sample of 71 older people with arthritis. Two subscales of the Arthritis Impact Measurement Scales were used to measure pain and physical disability. Social support was measured by Part II of the Personal Resource Questionnaire, and the Elderly Daily Stress scale was used to measure daily stress. Participants also completed the 10‐item Center for Epidemiological Studies of Depression scale. Univariate analysis, correlation, and path analysis were used to analyse the data.

Results.Overall, the data supported the hypothesized model in which pain, disability, social support, age, and gender are predictors of daily stress and daily stress further predicts depression. The direct effects of chronic pain, disability, and social support accounted for 37% of the variance of daily stress, which in turn predicted 35% of the variance of depression. Age and gender had no influence on daily stress. The chi‐square index suggested a fit between the data and the model, and therefore the current model is temporarily accepted. Other fit indices also showed a good fit of the model to the data. To simplify the model, a revised version was developed.

Conclusions.This study validated a middle‐range theory to explain the effects of chronic pain in older people with arthritis and highlights the importance of chronic pain in the development of depression.
Towards a decision support system for health promotion in nursing
Authors: Caelli Kate , Downie Jill , Caelli Terry
Published: December 2004

Aims. This study was designed to investigate what type of models, techniques and data are necessary to support the development of a decision support system for health promotion practice in nursing. Specifically, the research explored how interview data can be interpreted in terms of Concept Networks and Bayesian Networks, both of which provide formal methods for describing the dependencies between factors or variables in the context of decision‐making in health promotion.

Background. In nursing, the lack of generally accepted examples or guidelines by which to implement or evaluate health promotion practice is a challenge. Major gaps have been identified between health promotion rhetoric and practice and there is a need for health promotion to be presented in ways that make its attitudes and practices more easily understood. New tools, paradigms and techniques to encourage the practice of health promotion would appear to be beneficial. Concept Networks and Bayesian Networks are techniques that may assist the research team to understand and explicate health promotion more specifically and formally than has been the case, so that it may more readily be integrated into nursing practice.

Methods. As the ultimate goal of the study was to investigate ways to use the techniques described above, it was necessary to first generate data as text. Textual descriptions of health promotion in nursing were derived from in‐depth qualitative interviews with nurses nominated by their peers as expert health promoting practitioners.

Findings. The nurses in this study gave only general and somewhat vague outlines of the concepts and ideas that guided their practice. These data were compared with descriptions from various sources that describe health promotion practices in nursing, then examples of a Conceptual Network and a representative Bayesian Network were derived from the data.

Conclusions. The study highlighted the difficulty in describing health promotion practice, even among nurses recognized for their expertise in health promotion. Nevertheless, it indicated the data collection and analysis methods necessary to explicate the cognitive processes of health promotion and highlighted the benefits of using formal conceptualization techniques to improve health promotion practice.
Determining optimal nursing intensity: the RAFAELA method
Authors: Rauhala Auvo , Fagerström Lisbeth
Published: December 2004

Background.  RAFAELA is a modern system of patient classification. In the last few years the system has become widely used in Finland and has aroused international interest. It comprises three parts: (1) The Oulu Patient Classification (OPC) instrument and (2) a file on nurse resources. Using these, the daily nursing care intensity, expressed as OPC points per nurse, can be calculated. The existing nursing care intensity can then be compared with the optimal by using the third instrument, (3) the Professional Assessment of Optimal Nursing Care Intensity Level (PAONCIL). This is a daily questionnaire that nurses complete in a 2‐month period at intervals every few years. The daily workload is scored from −3 to +3, where zero is the optimal level. The optimal nursing care intensity per nurse is then defined by using linear regression analysis. No expensive time studies are needed.

Aims.  This paper reports on a study which aimed to identify the minimum requirements for determining optimal nursing care intensity that allow the results to be accepted as correct, in terms of: length of the PAONCIL examination period, PAONCIL questionnaire response rate, explanatory power of the regression analysis and mean values of the OPC and PAONCIL instruments.

Design.  The results of analyses of optimal nursing care intensity from 61 wards in eight Finnish hospitals for the period 1997–2001 are presented. The data do not contain any information about the identity of the patients.

Methods.  Linear regression analysis, one‐way analysis of variance, t‐tests and correlation analysis were used, as well as parameters of distribution of the data.

Results.  The results of the analysis of optimal nursing care intensity can be regarded as reliable if the PAONCIL response rate is above 70%, the period of examination is at least 3–4 weeks, the mean PAONCIL value is below 0·65 and the explanatory power is above 25%.

Conclusion.  On the basis of the RAFAELA system, the optimal nursing care intensity of a ward can be reliably determined. The prerequisites for achieving reliable results were clear and mostly fulfilled. Because a study period shorter than that which has previously been the practice is enough, the use of this system will be easier than before. The credibility and usefulness of the RAFAELA system have thus received considerable additional confirmation.
Health needs of Hong Kong Chinese pregnant adolescents
Authors: Woo Helen , Twinn Sheila
Published: December 2004

Background.  The outcomes of adolescent pregnancy have been associated with health risks such as obstetric complications and depression, and educational risks such as school dropout and reduced employment opportunities. These outcomes arise from a range of needs including perceived health needs, which are the focus of this paper.

Aim.  This paper reports a study to identify the perceived needs of Hong Kong Chinese adolescents following confirmation of an unintended pregnancy.

Methods.  An exploratory qualitative approach was used with a purposive sample of 10 Hong Kong Chinese pregnant adolescents. The study was undertaken during their stay in a non‐government organization maternal shelter. Semi‐structured interviews were used to explore adolescents’ perceptions of their psychological, social and health needs and the extent to which each of these needs was met.

Findings.  Six major categories were identified within the context of need, of which three were related to health needs: acceptance of the pregnancy; psychological reactions to the pregnancy; and use of contraception and health advice.

Conclusions.  The findings contribute to an understanding of the perceived health needs of Chinese adolescents, in particular those that are culturally determined. Implications for nursing practice indicate the significance of comprehensive health assessments and health promotion strategies to help adolescents increase their knowledge about sexual health and contraception.
Lifestyle factors for promoting bone health in older women
Authors: Sandison Rena , Gray Morag , Reid David M.
Published: December 2004

Background.  It is accepted practice to recommend a calcium‐rich diet, weight‐bearing exercise, cessation of smoking and limited alcohol intake to promote bone health. Although one in three women over 50 years old are at risk of osteoporosis, the lifestyle practices of older women in Scotland are not well documented.

Aim.  To investigate the lifestyle practices of a group of older women who had received lifestyle advice a year previously whilst participating in research identifying the individual risk of osteoporosis.

Methods.  A mainly quantitative approach was taken from the perspective of the empirical–analytical paradigm. A descriptive survey research design was used and the primary method of data collection was postal questionnaire. Additional qualitative data obtained from a telephone interview of a small number of respondents were content analysed.

Findings.  The questionnaire was sent to 320 women. The response rate was 92·5% (n = 296). The majority of women were non‐smokers, had no alcohol problems and were participating in regular weight‐bearing exercise. However, most had not been taking a calcium‐rich diet in the previous year, and only 21·2% (n = 58) had changed their diet following identification of risk of osteoporosis.

Conclusion.  The findings in relation to diet, smoking, exercise and alcohol were supported by previous research. We recommend that further research with larger samples in the United Kingdom explores the reasons why older women do not have adequate calcium intake. A statistically significant finding was that women at high risk of osteoporosis were the least likely to have made changes in lifestyles. Further research is required to address the information needs and lifestyle practices of older women who are at high risk of osteoporosis.
Nitric oxide as neuromodulator of sympathetic transmission in rat vas deferens
Authors: Postorino A. , Vetri T. , Leggio L. , Serio R. , Bonvissuto F.
Published: December 2004

Electrical field stimulation (EFS) of muscle strips in vitro elicited a tetrodotoxin (TTX)‐sensitive biphasic contractile response consisting of a phasic component followed by a tonic one.

The amplitude of both components of the response was impaired by Nω‐nitro‐L‐arginine and potentiated by sodium nitroprusside. Cystamine caused a reduction in amplitude of both phasic and tonic componets of the response to EFS. Neither Nω‐nitro‐L‐arginine, sodium nitroprusside, nor cystamine induced changes in the resting muscle tone, or in the contractile response to exogenous agonists ATP and noradrenaline (NA).

The nitric oxide scavenger, 2‐phenyl‐4,4,5,5‐tetramethylimidazoline‐1‐oxyl‐3‐oxide, induced a reduction in amplitude of both components of the response to EFS.

These results reveal a facilitatory prejunctional modulatory role for nitric oxide in sympathetic neurotransmission in rat vas deferens. Endogenous nitric oxide released in the extracellular space is presumed to potentiate neurotransmission by acting at prejunctional level via cGMP.
Functional evaluation of 5‐hydroxytryptamine receptor activity in rat resistance vessels
Authors: Potenza M. A. , Serio M. , Montagnani M. , Mansi G. , Rinaldi R. , Genualdo M. , Mitolo‐Chieppa D.
Published: December 2004

To characterize 5‐hydroxytryptamine (5‐HT) receptors in rat perfused mesenteric vascular bed (MVB), the effect of 5‐HT and related compounds was investigated by functional assay.

In quiescent preparations, 5‐HT elicited a concentration‐dependent conctractile response. After addition of ketanserin, a 5‐HT2 receptor antagonist, EC50 values were significantly higher than in controls.

In noradrenaline (NA)‐precontracted preparations, under continuous infusion of ketanserin, 5‐HT, 5‐carboxamidotryptamine (5‐CT) and sumatriptan produced relaxation. Their rank order of relaxant potency and maximum effect were sumatriptan > 5‐HT > 5‐CT. Methysergide (1 μM) and spiperone (20–100 nM) caused a rightward shift of the relaxation curve to sumatriptan. These data suggest that vasodilatation in rat MVB is mediated by an ‘atypical’ subtype of 5‐HT1‐like receptor, which reveals a pharmacological profile similar to that of the 5‐HT1D receptor. The involvement of both 5‐HT3 and 5‐HT4 receptors can be ruled out, since tropisetron (up to 10 μM) was not able to antagonize the relaxant effect by sumatriptan.

Under granisetron infusion (3 μM), the contractile response evoked by perivascular nervous stimulation, but not exogenous NA contraction, was significantly reduced (P < 0.001). These data demonstrate the presence of 5‐HT3 receptors in peripheral neurones, modulating neurotransmitters release.