bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ab initio group contribution method for activation energies for radical additions
Authors: Saeys Mark , Reyniers Marie‐Françoise , Marin Guy B. , Van Speybroeck Veronique , Waroquier Michel 
Published: February 2004

AbstractAccurate activation energies for 67 hydrocarbon radical addition and β‐scission reactions are calculated with the CBS‐QB3 ab initio method. An extension of Benson's group additivity method to activation energies is introduced. The underlying hypotheses, that is, the group concept and the additivity approximation, are validated with ab initio data. Standard activation group additivity values are obtained from the ab initio calculations for reactions involving primary, secondary, tertiary alkylic, allylic, benzylic, and vinylic radicals. The proposed group contribution method yields accurate activation energies for radical addition and for β‐scission reactions. The effect of substituents on the carbon atoms of the reactive center on the activation energy can be as large as 95 kJ/mol for the adding radical, and 187 kJ/mol for the product radical of the β‐scission. Non‐nearest‐neighbor effects such as gauche and cis interactions have an influence of less than 3 kJ/mol per interaction on the activation energies. However, for hydrocarbons that are heavily branched near the reactive center, these interactions can become important. © 2004 American Institute of Chemical Engineers AIChE J, 50: 426–444, 2004
On the activity of ions and the junction potential: Revised values for all data
Authors: Wilczek‐Vera Grazyna , Rodil Eva , Vera Juan H. 
Published: February 2004

AbstractThis work presents an in‐depth study of the interrelation between the junction potential EJ and the activity of individual ions. The need to correct for the sign of the junction potential employed in previous publications is used to confirm that the calibration of the ion‐selective electrodes largely cancels errors in the estimation of EJ. Revised values of the activity coefficients of individual ions are presented for all systems previously measured. A rederivation of Henderson equation is used to clarify the interpretation of its terms for asymmetric electrolytes. A new analytical equation to calculate EJ is derived and tested. This equation corrects for the nonideality of solutions and for the concentration dependence of the conductivity. The correction for nonideality is only necessary for the ions present in both the sample and the reference electrode solutions. The new equation represents a major improvement over the Henderson equation for EJ calculations. © 2004 American Institute of Chemical Engineers AIChE J, 50: 445–462, 2004
Molecular modeling of binary liquid‐phase adsorption of aromatics in silicalite
Authors: Chempath Shaji , Snurr Randall Q. , Low John J. 
Published: February 2004

AbstractAdsorption in the zeolite silicalite from binary liquid mixtures of p‐xylene, m‐xylene, and toluene was investigated using grand canonical Monte Carlo (GCMC) simulations. The results obtained agree well with experimental excess adsorption isotherms from the literature. The agreement is very good when the zeolite is modeled using the PARA form of the silicalite structure, but the results obtained with the native ORTHO structure are in some cases even qualitatively wrong. This supports the previous suggestion that the structure of silicalite undergoes a transition from ORTHO to PARA upon adsorption of aromatic molecules. Molecular‐level details of the energetics and siting within the zeolite provide insights into the macroscopic behavior. The simulated single‐component and binary results were used to test ideal adsorbed solution theory for these systems. © 2004 American Institute of Chemical Engineers AIChE J, 50: 463–469, 2004
Phase equilibrium in supercritical CO2 mixtures using a modified Kwak‐Mansoori mixing rule
Authors: Valderrama José O. , Alvarez Victor H. 
Published: February 2004

AbstractThe mixing rules proposed by Kwak and Mansoori for the Peng‐Robinson equation of state have been modified to describe vapor‐liquid equilibrium in mixtures that contain supercritical CO2. Data in the literature for nine binary liquid—vapor systems containing supercritical CO2 are used for testing the modified models. The systems studied were binary mixtures containing carbon dioxide with lauric acid, palmitic acid, oleic acid, linoleic acid, 1‐octanol, 1‐decanol, 2‐methyl‐1‐pentanol, α‐pinene, and limonene. The modifications studied included the introduction of a nonquadratic mixing rule proposed by one of the authors and a different interaction parameter for the volume constant of the equation of state. Compared to results in the literature, the Kwak‐Mansoori combining rules and the proposed empirical modifications give lower deviations in correlating the solute concentration in the vapor phase, the most important variable for the design of supercritical extraction processes. Contrary to arguments found in the literature, it is also demonstrated that a severe test for an equation of state and its mixing rules is the correlation of the solute concentration in vapor—liquid mixtures. © 2004 American Institute of Chemical Engineers AIChE J, 50: 480–488, 2004
Pore‐structure analysis by using nitrogen sorption and mercury intrusion data
Authors: Tsakiroglou Christos D. , Burganos Vasilis N. , Jacobsen Joachim 
Published: February 2004

AbstractA multistep methodology is developed for the characterization of the pore structure of mesoporous materials from experimental data of mercury intrusion and nitrogen adsorption/desorption. The pore‐space geometry is described by the pore‐ and throat‐size distributions and pore‐shape factors, while the pore‐network topology (connectivity) and spatial pore‐size correlations are embedded in suitably selected accessibility functions. Analytical mathematical models of the relevant processes are integrated into numerical codes, developed in the environment of a commercial software package of nonlinear parameter estimation. The methodology is evaluated and calibrated with respect to the well‐known parameter values of “theoretical” test materials, and is subsequently applied to the characterization of the pore structure of four samples of porous alumina. © 2004 American Institute of Chemical Engineers AIChE J, 50: 489–510, 2004
Youth blood pressure levels in Samoa in 1979 and 1991–93
Authors: Roberts Sarah T. , McGarvey Stephen T. , Viali Satupaitea , Quested Christine 
Published: February 2004

AbstractBlood pressure (BP) levels were studied in 524 youth ages 4–19.9 years who reside in Samoa. The data were collected in two separate cross‐sectional samples taken in 1979 (n = 292) and in 1991–93 (n = 232). BP was compared between these two study samples to evaluate the temporal change in BP among youth in response to the processes of economic modernization in Samoa, and specifically on how temporal increases in body size influenced BP levels. Proportions of youth with elevated BP levels were estimated using the Second Task Force criteria. In males and females 10–19 years, age‐adjusted systolic BP was significantly higher in the 1991–93 sample than in the 1979 sample, and the difference became insignificant after adjustment for body mass index. The proportion of those ages 10–19 years with elevated BP ranged from 11–15% in the 1979 study sample and was ∼25% in the 1991–93 study sample. There appears to be a temporal trend of increasing adiposity and BP in those 10–19 years and the BP differences are attributable to the higher levels of adiposity. Am. J. Hum. Biol. 16:158–167, 2004. © 2004 Wiley‐Liss, Inc.
Bone mineral density is related to blood pressure in men
Authors: Larijani Bagher , Bekheirnia Mir Reza , Soltani Akbar , Khalili‐Far Alireza , Adibi Hossein , Jalili Reza Baradar 
Published: February 2004

AbstractThe aim of this study was to determine the relationships between bone mineral density (BMD) and blood pressure in 214 men, age 20–76. BMD measurements were done by dual X‐ray absorptiometry using a Lunar DPXMD densitometer at the lumbar spine (L2–L4) and different femoral regions. Systolic (SBP) and diastolic (DBP) blood pressure were measured using an MPC‐350 sphygmomanometer. Physicians gathered demographic data and participants' dietary intake of calcium were determined by using food frequency questionnaires. After adjusting for age, body mass index, dietary calcium, and exercise history, multiple linear regression models showed that DBP was negatively related to femoral neck BMD (β = −0.145, P = 0.032) and just shy of significant association with femoral neck BMC (β = −0.114, P = 0.079). SBP was correlated with femoral neck (r = −0.171, P = 0.012) and Ward's (r = −0.186, P = 0.006) BMD but not after adjusting for possible confounders. Further studies are needed to determine whether elevated blood pressure is causally related to the development of low bone mass. Am. J. Hum. Biol. 16:168–171, 2004. © 2004 Wiley‐Liss, Inc.
Proportion of homosexual men who owe their sexual orientation to fraternal birth order: An estimate based on two national probability samples
Authors: Blanchard Ray , Bogaert Anthony F. 
Published: February 2004

AbstractHomosexuality in men correlates with an individual's number of older brothers, greater numbers of older brothers being associated with a greater probability of homosexuality. There are reasons to believe that this relationship is causal rather than merely statistical, that is, that older brothers produce the increase in the probability of homosexuality for later‐born males. It is possible, under this assumption, to estimate the proportion of homosexual men who can attribute their sexual orientation to their birth order among their brothers (fraternal birth order). This statistic, the population attributable fraction (PAF), was computed on the combined archival data of 2,256 heterosexual and 71 homosexual men examined in survey studies of sexual behavior in the UK and the USA. The PAF was 28.6%, with 95% confidence limits of 14.8% and 48.0%. These limits encompass the PAF of 15.1% previously estimated with a Canadian sample. The results indicate that the proportion of homosexual men whose sexual orientation is attributable to fraternal birth order constitutes a minority, but not a negligible minority, of all homosexual men. The fraternal birth order effect may reflect the progressive immunization of some mothers to Y‐linked antigens by each succeeding male fetus, and the concomitantly increasing effects of antimale antibodies on the sexual differentiation of the brain in each succeeding male fetus. Am. J. Hum. Biol. 16:151–157, 2004. © 2004 Wiley‐Liss, Inc.
Asbestos in brakes: Exposure and risk of disease
Authors: Lemen Richard A. 
Published: February 2004

AbstractAsbestos has been incorporated into friction products since the early 1900s. Epidemiological studies have been equivocal in their analysis of the incidence of disease among mechanics servicing brakes. Decomposition of asbestos occurs during the normal usage of the brake due to thermal decomposition into forsterite, although not all asbestos is so converted. Short fibers, below 5 μm in length, are also found in brake products. Several facts are discussed including the toxicity of the remaining asbestos fibers, short asbestos fibers, and the health implications of exposure to forsterite. Control methodologies, when used appropriately, have reduced exposure to asbestos during brake servicing, but have not been able to entirely eliminate exposure to asbestos, thus bring into question the controlled use of asbestos for friction product such as brakes. Even the so called “controlled” use of asbestos containing brakes poses a health risk to workers, users, and their families. Am. J. Ind. Med. 45:229–237, 2004. © 2004 Wiley‐Liss, Inc.
Overcoming recruitment challenges in construction safety intervention research
Authors: Kidd Pamela , Parshall Mark , Wojcik Susan , Struttmann Tim 
Published: February 2004

AbstractBackgroundRecruiting workers in small construction companies and securing their participation in voluntary safety programs or safety research poses unique challenges. Worker turnover and worksite changes contribute to difficulties in locating and enrolling participants. Economic pressures and time demands potentially threaten ongoing participation.MethodsSix simulation exercises designed to reduce back and fall injuries in small construction companies were developed based on data from focus groups of workers and company owners. Working with a workers' compensation insurer, we had access to owner‐operators of general, heavy, and special trade construction companies reporting less than $10,000 in payroll expenses. Recruitment methods included a participation incentive, mailed invitations followed by phone contacts, and follow‐up reminders.ResultsDespite using recruitment methods recommended in the literature, participation rates were low over a 2‐year intervention period. Because of these difficulties, factors affecting participation or nonparticipation became an additional research focus. Owners' perceptions of already having a good safety record and of the time demands of participation were the most commonly cited reasons for not participating.ConclusionsLiterature on recruitment emphasizes processes and procedures under investigator control rather than understanding potential participants' judgments about the adequacy of their existing practices and the potential benefits of intervention participation relative to potential time and productivity trade‐offs. Greater attention to such judgments may enhance recruitment and participation in under‐studied and difficult to access populations. Am. J. Ind. Med. 45:297–304, 2004. © 2004 Wiley‐Liss, Inc.
Clinicopathological features of pure mica pneumoconiosis associated with Sjögren syndrome
Authors: Kobayashi Hideo , Ohara Ichiyo , Kanoh Soichiro , Motoyoshi Kazuo , Aida Shinsuke , Kohyama Norihiko 
Published: February 2004

AbstractBackgroundThere are few reports on the clinical, radiologic, and pathologic features of pure mica pneumoconiosis.MethodsA case of definite pure mica pneumoconiosis in a rubber factory worker is reported with the clinicopathological findings.ResultsChest HRCT demonstrated subpleural and peribronchovascular interstitial thickening. The characteristic histologic features were pulmonary fibrosis accompanied by prominent histiocytic granulomas containing giant cells.ConclusionsPure mica pneumoconiosis can be identified by specific radiologic and pathologic findings. Am. J. Ind. Med. 45:246–250, 2004. © 2004 Wiley‐Liss, Inc.
Attorney‐directed screenings can be hazardous
Authors: Egilman David , Bohme Susanna Rankin 
Published: February 2004

AbstractBackgroundThe history of occupational health screenings indicate that they are often necessary to protect the health and interests of workers. However, medical screenings for asbestos and other occupational diseases which are organized and funded by attorneys may result in serious adverse outcomes to those screened.MethodsWe report a case of death that appears to have been heavily influenced by an attorney‐initiated and ‐directed screening program.ResultsWhile well‐run medical screening programs are essential to disease detection in workers, attorney‐run and corporate screenings can be fraught with ethical and practical problems. Screenings have been used by corporations to identify workers with occupational illness in order to terminate their employment and avoid legal liability. Screenings can also be used to motivate workers to stop smoking and implement workplace controls. However, these screenings must be conducted responsibly.ConclusionsAlthough this is only one case it illustrates the gravity and potential danger of attorney‐directed screening programs. Am. J. Ind. Med. 45:305–307, 2004. © 2004 Wiley‐Liss, Inc.
Melorheostosis may originate as a type 2 segmental manifestation of osteopoikilosis
Authors: Happle Rudolf 
Published: February 2004

AbstractMelorheostosis is a non‐hereditary disorder involving the bones in a segmental pattern, whereas osteopoikilosis is a rather mild disseminated bone disorder inherited as an autosomal dominant trait. Interestingly, melorheostosis and osteopoikilosis may sometimes occur together. In analogy to various autosomal dominant skin disorders for which a type 2 segmental manifestation has been postulated, melorheostosis may be best explained in such cases as a type 2 segmental osteopoikilosis, resulting from early loss of the corresponding wild type allele at the gene locus of this autosomal dominant bone disorder. © 2003 Wiley‐Liss, Inc.
Hearing impairment, undescended testis, circumferential skin creases, and mental handicap (HITCH) syndrome: A case report
Authors: Kondoh Tatsuro , Eguchi Jiro , Hamasaki Yoichiro , Doi Tomoki , Kinoshita Eiichi , Matsumoto Tadashi , Abe Kuniko , Ohtani Yoshinobu , Moriuchi Hiroyuki 
Published: February 2004

AbstractWe report on a 3‐year‐old boy with circumferential skin creases as seen in Michelin tire baby syndrome (MTBS), hearing impairment, undescended testes, short stature, and mental handicap. Skin biopsy from the inguinal region showed degenerative collagen, which has never been found in MTBS. Similar clinical manifestations shared by our patient and a boy reported previously suggest a new clinical entity, in which degenerative collagen is etiologically involved. We propose an acronym to designate it: hearing impairment, undescended testis, circumferential skin creases, and mental handicap (HITCH) syndrome. © 2003 Wiley‐Liss, Inc.
Novel SCO2 mutation (G1521A) presenting as a spinal muscular atrophy type I phenotype
Authors: Tarnopolsky Mark A. , Bourgeois J.M. , Fu M‐H. , Kataeva G. , Shah J. , Simon D.K. , Mahoney D. , Johns D. , MacKay N. , Robinson B.H. 
Published: February 2004

AbstractRare cases of suspected spinal muscular atrophy (SMA) have been found to have cytochrome c oxidase (COX) deficiency. To date, four cases with SMA features have been reported in children with mutations in the synthesis of cytochrome oxidase 2 (SCO2) gene. We report a male neonate who was born hypotonic, with persistent lactic acidosis, spontaneous activity with EMG testing, development of respiratory distress in the first few hours of life, and died at 30 days of age with progressive cardiomyopathy. Testing for survival motor neurone (smn) and NAIP deletions were negative and a skeletal muscle biopsy showed neurogenic features with severe reductions of COX enzymatic and histochemical staining intensity. Post‐mortem muscle, heart, and liver biopsies showed severe, moderate, and mild reductions in COX activity, respectively, with parallel findings in the protein content for the mitochondrial DNA (COII) and nuclear DNA (COIV) encoded subunits. DNA sequencing of exon 2 of the SCO2 gene revealed compound heterozygosity with mutations at G1541A (common mutation, E140K) and also at a novel site in the copper binding region (G1521A in the current case (converting a highly conserved cysteine to serine (C133S)); mother heterozygous for G1521A; and father heterozygous for G1541A). This case provides strong support that SCO2 mutations can result in neonatal hypotonia with an SMA 1 phenotype. SCO2 mutations should be screened in suspected SMA cases with normal smn mutation analysis and any one of; cardiomyopathy, lactic acidosis, or COX deficiency in muscle. © 2003 Wiley‐Liss, Inc.
Segregation analysis of bronchial hyperresponsiveness in a general population in north italy
Authors: Kurzius‐Spencer Margaret , Holberg Catharine J. , Sherrill Duane L. , Carrozzi Laura , Di Pede Francesco , Baldacci Sandra , Viegi Giovanni 
Published: February 2004

AbstractBronchial hyperresponsiveness (BHR) is an intermediate phenotype of asthma, with a heritability component of 30–67% and possible linkage to regions on chromosome arms 5q, 11q, and 20p. Familial correlation analysis and segregation analysis for BHR, using the FCOR and REGC programs of the S.A.G.E package, were performed to examine inheritance patterns of BHR in a general population of 1,167 subjects in 550 families from the Po River Delta. BHR was assessed using the log10of the slope of the methacholine dose‐response curve (log slope) for each subject who met inclusion criteria. Using multiple linear regression analysis, the log slope values were adjusted for age, age2, sex, and height, and used in the familial correlation and segregation analyses. Father–offspring correlations are statistically significant, due specifically to high father–son correlations (r = 0.296,P < 0.001, adjusted values). Segregation analysis of BHR in the overall population, with and without a smoking covariate (number of packyears smoked), indicates an apparent absence of genetic transmission within families. However, in a segregation analysis of BHR in smoking families only, after adjusting for number of packyears smoked, the Mendelian transmission models could not be rejected. This may be evidence of a gene by smoking effect, and suggests that in families of smokers, a single locus gene may in part explain the inheritance of a compound phenotype (BHR × packyears). © 2003 Wiley‐Liss, Inc.
A diagnostic conundrum: Two siblings with features overlapping the Kabuki and Malpuech syndromes. A new MCA syndrome?
Authors: Galán‐Gómez Enrique , Carbonell‐Pérez José M. , Cardesa‐García Juan J. , Val‐Sánchez de León José M. , Campo‐Sampedro Francisco M. , Martínez‐Frías María Luisa , Frías Jaime L. 
Published: February 2004

AbstractWe report two siblings, a boy and a girl, with a constellation of anomalies that overlap the phenotypes of Kabuki and Malpuech syndromes. Both patients had a facial appearance suggestive of Kabuki syndrome, sagittal vertebral clefts, and short fifth fingers. In addition, the girl had brachydactyly of the index finger, and the boy, cleft lip and palate, mild postnatal growth deficiency, coarctation of the aorta, ventricular septal defect, patent ductus arteriosus, and a caudal appendage. The fact that this pattern of anomaly occurred in siblings, together with the presence of sparse eyebrows medially, rather than laterally, in both patients and a caudal appendage in the boy, militates against the diagnosis of Kabuki syndrome. Furthermore, the presence of a caudal appendage in a child with cleft lip and cleft palate and renal abnormalities is suggestive of Malpuech syndrome. The normal growth pattern and psychomotor development observed in both children, however, is inconsistent with this diagnosis, although they may represent a milder end of the phenotypic spectrum for Malpuech syndrome. Alternatively, we conclude that the condition may represent a distinct multiple congenital anomaly (MCA) syndrome. The occurrence of a pattern of MCA in two siblings with phenotypically normal parents and normal cytogenetic studies, including high‐resolution banding and subtelomeric probes, points toward an autosomal recessive mode of inheritance. However, germinal mosaicism and other types of non‐traditional inheritance, such as a defect in genomic imprinting or uniparental disomy, should also be considered. © 2003 Wiley‐Liss, Inc.