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PubMed1978

The correlation between the efficiency of rhizobia and nitrate reductase and dehydrogenase activities of cowpea nodules.

Cowpea seeds variety Fettriat were planted in Nile silt soil and inoculated with 5 strains of cowpea rhizobia. After 50 and 80 days, the plants were uprooted, analysed for dry weight, total nitrogen, fresh weight of nodules, nitrate reductase activity in the leaves, and nitrate reductase and dehydrogenase activities in the nodule homogenate in the presence or absence of succinate, citrate, and ethyl alcohol. The data were analysed to establish the correlation coefficients between total nitrogen and other characteristics. A significant positive correlation existed between total nitrogen and fresh weight of nodules in both cuts (after 50 and 80 days). The correlation was significant between total nitrogen and dry weight of the plants in the first cut, but was non-significant in the second one. Nitrate reductase activity in leaves and nodule homogenates in the presence of different hydrogen donors were positively correlated in the first cut and negatively correlated in the second one. Nitrate reductase activity in the leaves was much less than that in the nodule homogenates. A negative correlation was noticed between phenol content of the nodules and total nitrogen. In the first cut, while the correlation between total nitrogen and dehydrogenase activity in the presence of citrate or absence of any hydrogen donors was positive, it was negative with ethanol and succinate. In the second cut, however, all the dehydrogenase activities were negatively correlated with total nitrogen.

Citrates↗

PubMed2003

The correlation between GC3 and hydropathy in human genes.

A positive correlation holds between the GC level of third codon positions of human genes (GC(3)) and hydropathy of the encoded proteins. This correlation may appear counterintuitive, since it links a physical property of proteins to the base composition of 'synonymous' sites. We here establish the nontriviality of the correlation, which has recently been contested. In particular, the correlation cannot simply be a consequence of an analogous correlation for first and second codon positions, since no such correlation exists. More generally, for any explanation via two chained correlations, the intermediate property would need to be strongly correlated with hydrophobicity and/or GC(3).

Amino Acids↗

PubMed1999

Factors correlating with risk of mortality after transmyocardial revascularization.

OBJECTIVES: The purpose of this study was to determine factors correlating with the risk of postoperative mortality after transmyocardial laser revascularization (TMR). BACKGROUND: Clinical studies have indicated that TMR reduces angina by an average of two classes in patients with medically refractory symptoms not treatable by coronary artery bypass graft (CABG) or percutaneous transluminal coronary angioplasty. Factors which correlate with mortality after TMR, however, have not been extensively investigated. METHODS: One hundred thirty-two patients with severe angina underwent TMR as sole therapy with a CO2 laser. Age, gender, ejection fraction, prior CABG, unstable angina and the severity of coronary artery disease (graded on the basis of a newly proposed Anatomic Myocardial Perfusion index, AMP) were each determined. Each vascular territory (left anterior descending artery [LAD] left circumflex artery and posterior descending artery [PDA]) was graded as either having (AMP = 1) or not having (AMP = 0) blood flow through an unobstructed major vessel in the territory. Univariate and multivariate analysis determined which factors correlated with mortality. RESULTS: Patients with at least one AMP = 1 vascular territory (overall AMP = 1) had a 5% (4/82) postoperative mortality rate (POM), compared with 25% (12/49) with overall AMP 0 (p = 0.002). Left anterior descending artery AMP (p = 0.03) and previous CABG (p = 0.04) each correlated with the risk of POM. However, multivariate analysis indicated that no factor improved the correlation obtained with overall AMP by itself. With regard to overall mortality (Kaplan-Meier curves), univariate analysis also revealed correlations with overall AMP (p < 0.001), LAD AMP (p = 0.005), previous CABG (p = 0.003) and PDA AMP (p = 0.05) each individually correlated with mortality. Multivariate analysis indicated that overall AMP = 1, female gender and previous CABG together correlated best with lower postoperative mortality. CONCLUSIONS: Patients with good blood flow to at least one region of the heart through a native artery or a patent vascular graft have a markedly reduced risk of perioperative and longer term mortality.

Aged↗

PubMed1999

Ensemble learning via negative correlation.

This paper presents a learning approach, i.e. negative correlation learning, for neural network ensembles. Unlike previous learning approaches for neural network ensembles, negative correlation learning attempts to train individual networks in an ensemble and combines them in the same learning process. In negative correlation learning, all the individual networks in the ensemble are trained simultaneously and interactively through the correlation penalty terms in their error functions. Rather than producing unbiased individual networks whose errors are uncorrelated, negative correlation learning can create negatively correlated networks to encourage specialisation and cooperation among the individual networks. Empirical studies have been carried out to show why and how negative correlation learning works. The experimental results show that negative correlation learning can produce neural network ensembles with good generalisation ability.

Journal Article↗

PubMed2001

Sibling correlation of left ventricular mass and geometry in hypertensive African Americans and whites: the HyperGEN study. Hypertension Genetic Epidemiology Network.

BACKGROUND: Evidence suggests that left ventricular (LV) mass is under genetic control, independently of risk factors known to influence LV size and geometry. METHODS: As part of the HyperGEN study, four field centers recruited African American and white hypertensive siblings (n = 1,664), aged 23 to 87 years. Two-dimensionally guided M-mode echocardiography was performed, and LV mass and relative wall thickness (RWT) were measured at a central reading center. Familial correlations were calculated separately for each ethnic group using maximum likelihood methods, adjusted for the potential confounding influences of age, gender, systolic blood pressure, and obesity. RESULTS: In African Americans, brother-sister, brother-brother, and sister-sister correlation coefficients and standard errors for LV mass were 0.29 (0.08), 0.44 (0.10), and 0.33 (0.05). In whites, the corresponding correlations were lower than in African Americans at 0.05 (0.08), 0.12 (0.11), and 0.22 (0.09), respectively. Sibling correlation of LV geometry, assessed by RWT, was less in African Americans than in whites: brother-sister, 0.04 (0.10) v 0.21 (0.10), brother-brother, 0.12 (0.22) v 0.28 (0.09), and sister-sister, 0.11 (0.07) v 0.19 (0.11). CONCLUSIONS: LV mass is strongly correlated in hypertensive African American siblings, and modestly correlated in their white counterparts, whereas RWT has stronger sibling correlation in whites. The patterns of familial correlation of echocardiographic LV mass and RWT suggest that the genetic underpinnings of LV hypertrophy and geometric remodeling may differ among ethnic groups.

Adult↗

PubMed1994

Correlation of the RTS (Revised Trauma Score) and RAPS (Rapid Acute Physiology Score) in rotor-wing prehospital care.

INTRODUCTION: The Rapid Acute Physiology Score (RAPS) has been applied to patients transported by air, but not correlated with commonly used prehospital indices. The authors desired to determine the correlation between RAPS and Revised Trauma Score (RTS). Correlations between RAPS and RTS in patients with non-trauma ills were also investigated. METHODS: Eight-hundred forty-four consecutive patients transported by helicopter were retrospectively evaluated. Demographics, origin of transport, nature of illness, RTS and RAPS were recorded. RTS vs. RAPS scores were graphed using sunflower technique and correlation was calculated using Spearman Rank-Order Correlation Coefficients (SCC). Alpha was set at < or = .05. RESULTS: Sunflower plots revealed wide ranges of RAPS at like RTS values in less severely ill or injured patients. SCC analysis revealed statistically significant (p < .05) correlations for all patients and for subgroups of prehospital trauma, prehospital medical, interfacility trauma and interfacility medical patients. Degrees of correlation varied between groups, with agreement being strongest in prehospital trauma and weakest in interfacility trauma patients. CONCLUSIONS: We conclude that RTS and RAPS scores exhibit significant correlation in a variety of patient populations. The wide range of RAPS seen at like RTS values suggests that RAPS may be a more sensitive indicator of physiologic status in patients transported by air.

Air Ambulances↗

PubMed2004

The tridimensional personality theory and pain: harm avoidance and reward dependence traits correlate with pain perception in healthy volunteers.

The aim of the present study was to examine the possible role of personality traits in determining the variability of pain perception among individuals. More specifically, it was intended to test whether or not the three personality dimensions suggested by Cloninger in 1987 - mainly harm avoidance (HA), but also reward dependence (RD), and novelty seeking (NS), can predict interpersonal differences in responsiveness to experimental pain. Seventy healthy volunteers participated in the study. Their personality traits were evaluated through Cloninger's tridimensional personality questionnaire (TPQ). Pain threshold (latency to pain onset), pain magnitude (VAS), and pain tolerance (time to withdrawal) were measured by using the cold pressor test. Bonferroni-adjusted correlations were found between HA and the pain parameters as follows: a negative correlation between HA and threshold (rho=-0.297, P(adj)=0.039); no significant correlation between HA and tolerance (rho=-0.219, P(adj)=0.207); and a trend for a positive correlation between HA and VAS (rho=0.266, P(adj)=0.081). Possible correlations between pain perception and the various possible combinations of high and low scoring for each of the three traits were also investigated. Correlations were found only for the combinations of high/low HA and high/low RD. The low HA/low RD combination demonstrated the lowest responsiveness to pain (VAS 65.2+/-21.4; tolerance 107.6+/-71.8 s), whereas the high HA/low RD combination was correlated with the highest responsiveness (VAS 83.3+/-10.8; tolerance 30.8+/-28.4 s). The results indicate that HA personality trait correlates best with pain responsiveness. As such, a high HA are likely to predict a heightened pain response. RD may modify this pattern. The possible relevant behavioral and neuro-chemical mechanisms are discussed.

Adult↗

PubMed2003

Spatial correlation of the infant and adult electroencephalogram.

OBJECTIVE: To examine the effects of volume conduction of current on measurements of spatial correlation in the high-density electroencephalogram (EEG) at extremes of human development: infancy and adulthood. METHODS: To calculate theoretical spatial correlation of EEG from volume conduction of uncorrelated cortical sources and compare theory with observations of intra/interhemispheric coherence. RESULTS: Result verified prediction of reduced spatial correlation in infants due to volume conduction. Theoretical magnitude of spatial correlation from volume conduction demonstrated as lower bound on observed magnitude of coherence (MC). MC of adults is greater than MC of infants. Adult intrahemispheric MC is greater than interhemispheric MC. Scalp muscle electromyogram (EMG) produces artifactually low values of MC. CONCLUSIONS: Volume conduction of current from uncorrelated cortical sources produces an erroneous component of spatial correlation that is smaller in infants than adults. The increased MC in adults is indicative of increased adult neuronal myelination. EMG artifact causes erroneous observations of coherence. SIGNIFICANCE: Measured EEG spatial correlation contains contributions from both neural activity and volume conduction of current. This is an important issue when measurements are used to deduce physiological correlates of neuropsychological phenomena. Measurements of the neural component of spatial correlation are more accurate early in life because of reduced volume conduction.

Adult↗

PubMed2001

Two-dimensional fluorescence correlation spectroscopy with modulated excitation.

Overlap of multiple states or multiple species in a chemical system often creates a congested fluorescence spectrum that is difficult to interpret. The resolution of component spectra is essential for the understanding of the structure and dynamics of such multicomponent systems. In this paper, two-dimensional fluorescence correlation spectroscopy (2D FCS) is presented for the dissection of component spectra using the time correlation function. In 2D FCS, the time response of fluorescence intensity is collected at various wavelengths upon an external perturbation. The time correlation function is evaluated between wavelengths. A two-dimensional fluorescence correlation spectrum, or a plot of the correlation intensity as a function of two wavelength axes, resolves the overall spectrum into component spectra. The characteristics of the two-dimensional time correlation function are demonstrated in the frequency domain fluorescence spectroscopy in which the sinusoidally modulated excitation provides the external perturbation. Using 2D FCS, fine vibronic structures of the component fluorescence emission spectra were completely resolved from a strongly overlapped one-dimensional mixture spectrum. The existence of multiple microenvironments of a probe molecule in a biological system is evidenced by nonzero asynchronous correlation intensities. The corresponding spectra are retrieved from correlation analysis. Unlike traditional resolution methods in fluorescence spectroscopy based on statistical fitting of fluorescence decays, 2D FCS can resolve species whose fluorescence decays are linked by the rate constants in chemical reactions and species displaying multiexponential decay kinetics.

Spectrometry, Fluorescence↗

PubMed1985

Flexibility of the molecular forms of acetylcholinesterase measured with steady-state and time-correlated fluorescence polarization spectroscopy.

Steady-state and time-correlated fluorescence polarizations have been examined for selected complexes and covalent conjugates of the 11S and (17 + 13)S forms of Torpedo acetylcholinesterase. The 11S form exists as a tetramer of apparently identical subunits, whereas the (17 + 13)S forms contain two or three sets of tetramers disulfide-linked to an elongated collagen-like tail unit. Pyrenebutyl methylphosphonofluoridate and (dansylsulfonamido)pentyl methylphosphonofluoridate were conjugated at the active center serine whereas propidium was employed as a fluorescent ligand for the spatially removed peripheral anionic site. Steady-state polarization of the pyrenebutyl conjugates indicates rotational correlation times of approximately 400 ns for the 11S species and greater than 1100 ns for the (17 + 13)S species. Hence, the tail unit severely restricts rotational motion of the catalytic subunits. Time-correlated fluorescence polarization analysis of the 11S species indicates multiple rotational correlation times. Anisotropy decay of the propidium complex (tau = 6 ns) occurs in exponential manner with a rotational correlation time of approximately 150 ns, while covalent adducts at the active center exhibit rotational correlation times greater than or equal to 300 ns. Anisotropy decay of the (dansylsulfonamido)pentyl conjugate (tau = 16 ns) appears exponential with a correlation time of approximately 320 ns, whereas decay of the pyrenebutyl conjugate (tau = 100 ns) is described by two correlation times, phi S = 18 ns and phi L = 320 ns, of small (15%) and large (85%) amplitudes, respectively. Two limiting models have been considered to explain the results.(ABSTRACT TRUNCATED AT 250 WORDS)

Acetylcholinesterase↗

PubMed2005

Plasma carotenoids as biomarkers of intake of fruits and vegetables: ecological-level correlations in the European Prospective Investigation into Cancer and Nutrition (EPIC).

OBJECTIVE: The aim of this study was to assess the ability of a single 24-h dietary recall (24HDR) and food questionnaires (FQ) to predict plasma carotenoid levels at the ecological level by assessing the relationship between mean plasma carotenoid levels and mean intake of fruit and vegetables measured by 24HDR and FQ across 16 European regions. DESIGN: A random subsample of 3089 subjects was included, stratified by age and gender. They provided blood samples and dietary information between 1992 and 2000 as part of the European Prospective Investigation into Cancer and Nutrition. RESULTS: Using Spearman's correlation coefficients, the correlations between mean regional 24HDR fruit and vegetable variables and corresponding mean plasma carotenoid levels were generally higher than the correlations using FQ means. The highest correlation was between the 24HDR citrus fruit variable and beta-cryptoxanthin (r = 0.90). For 24HDR, total fruits and vegetables were highly correlated with lutein, zeaxanthin, and beta-cryptoxanthin (r = 0.83-0.87), while vegetables were more closely related with lutein (r = 0.69) and zeaxanthin (r = 0.68), and fruits correlated with zeaxanthin (r = 0.87) and beta-cryptoxanthin (r = 0.84). Root vegetables (r = 0.81) and total carrots (r = 0.71) were well correlated with alpha-carotene. In the multivariate models adjusting for age, body mass index, and season, and using observations of means stratified by sex and region, the association was generally higher for 24HDR compared to FQ. CONCLUSION: Mean regional intakes of fruits and vegetables in several European countries were closely correlated with corresponding mean plasma levels of individual carotenoids. Fruits and vegetables measured by 24HDR were generally better able to predict plasma carotenoids at the ecological level.

Antioxidants↗

PubMed2006

Correlations between rCBF and symptoms in two independent cohorts of drug-free patients with schizophrenia.

We report on the correlations between whole brain rCBF and the positive and negative symptoms of schizophrenia in two cohorts of patients who were scanned while free of antipsychotic medication. We hypothesized that positive symptoms would correlate with rCBF in limbic and paralimbic regions, and that negative symptoms would correlate with rCBF in frontal and parietal regions. Both cohorts of patients with schizophrenia (Cohort 1: n=32; Cohort 2: n=23) were scanned using PET with H(2)(15)O while free of antipsychotic medication for an average of 21 and 15 days, respectively. Both groups were scanned during a resting state. Using SPM99, we conducted pixel by pixel linear regression analyses between BPRS scores and whole brain rCBF. As hypothesized, positive symptoms correlated with rCBF in the anterior cingulate cortex (ACC) in a positive direction and with the hippocampus/parahippocampus in a negative direction in both patient groups. When the positive symptoms were further divided into disorganization and hallucination/delusion scores, similar positive correlations with ACC and negative correlations with hippocampus rCBF were found. In both cohorts, the disorganization scores correlated positively with rCBF in Broca's area. As expected, negative symptoms correlated inversely with rCBF in frontal and parietal regions. This study provides evidence that limbic dysfunction may underlie the production of positive symptoms. It suggests that abnormal function of Broca's area may add a specific language-related dimension to positive symptoms. This study also provides further support for an independent neurobiological substrate of negative symptoms distinct from positive symptoms. The involvement of both frontal and parietal regions is implicated in the pathophysiology of negative symptoms.

Adolescent↗

PubMed1999

Plasma oestrone-fatty acid ester levels are correlated with body fat mass in humans.

OBJECTIVE: The metabolites of steroidal hormones, including sulphate, glucuronide, and fatty acid (FA) ester derivatives, have received little attention, although these steroid derivatives are essential components in the global assessment of steroid metabolism. The study of FA-derivatives could, in obesity, contribute some insights into factors modulating steroid metabolism and their plasma levels. In a recent study we found that, in rats, an oestrone-fatty acid ester (E1-FA) was produced by white adipose tissue and released into lipoproteins in the blood-stream. We have examined whether E1-FA levels correlate with body fat and insulin sensitivity in humans. SUBJECTS: A sample of 20 men and 22 women with varying levels of total body fat (mean body mass index (BMI) 29.2 +/- 4.7, range 22.2-35.8 in men; mean BMI 27.6 +/- 6.3, range 16.8-37.9 in women). All participants were healthy. MEASUREMENTS: We measured oestrone fatty acid esters (E1-FA), body fatness, and body fat distribution variables, as well as insulin sensitivity through a frequently sampled intravenous glucose tolerance test. Plasma E1-FA and serum leptin levels were measured by radioimmunoassay. RESULTS: E1-FA levels strongly correlated with BMI (r = 0.69, P = 0.001 in men; r = 0.75, P < 0.0001, in women) percent body fat (PBF, r = 0.52. P = 0.018 in men; and r = 0.69, P < 0.0001, in women) and with the sum of 4 fat skinfolds (sigma skinfolds). E1-FA level was significantly and positively associated with fasting insulin (r = 0.62, P = 0.003 in men, and r = 0.48, P = 0.023 in women) but not with fasting glucose levels. E1-FA correlated with insulin sensitivity (SI, r = -0.72 in men; and -0.76, in women, both P < 0.0001). In men, E1-FA levels also correlated with systolic blood pressure (r = 0.59, P = 0.01), total triglycerides (r = 0.63, P = 0.003), VLDL-triglycerides (r = 0.62, P = 0.004) and VLDL-cholesterol (r = 0.48, P = 0.03), but not with diastolic blood pressure, serum total or LDL-cholesterol, or total and HDL2 and HDL3 subfractions of HDL cholesterol. After controlling for fat mass, only the correlation between VLDL-triglycerides and E1-FA levels remained significant. In women, E1-FA levels correlated with total triglycerides (r = 0.66, P = 0.001), VLDL-triglycerides (r = 0.65, P = 0.001), VLDL-cholesterol (r = 0.63, P = 0.002), LDL-cholesterol (r = 0.57, P = 0.005) and total and HDL2 and HDL3 subfractions of HDL cholesterol (r = -0.58, -0.48, -0.61, P = 0.004, 0.02 and 0.002, respectively), but not with systolic or diastolic blood pressure or total cholesterol. However, covariance analysis revealed that controlling for the concomitant variation in body fat mass eliminated all these associations. Fasting plasma E1-FA concentration correlated with serum leptin (r = 0.60, P = 0.005 in men; r = 0.75, P = 0.0001, in women). However, these correlations no longer persisted after controlling for fat mass (r = 0.33 and 0.36, P = NS). Stepwise regression analysis models were tested, with E1-FA as the dependent variable, and sigma skinfolds and SI as independent covariables. Both the sigma skinfolds (P = 0.03) and SI (P = 0.01) entered the equation at a statistically significant level in men. Therefore, insulin sensitivity was related to E1-FA independently of fat in men. In women only sigma skinfolds (P = 0.04) entered the regression model at a statistically significantly level. Fifty-seven percent of the variance in plasma E1-FA levels in men, and 50% in women, was accounted for using a regression model that combined these variables. CONCLUSIONS: Oestrone-fatty acid esters circulate in human blood in proportion to body fat, independently of gender. Plasma oestrone-fatty acid ester levels are associated with insulin sensitivity in men, independently of body fat. These findings may widen our perspective on the regulation of insulin action and control of body weight.

Adipose Tissue↗

PubMed1999

Correlation between alpha 1-acid glycoprotein and total sialic acid in serum from dogs with tumours.

The influence of the acute phase protein alpha 1-acid glycoprotein (AGP) on the concentration of total sialic acid (TSA) in serum was investigated by assessing their degree of correlation in 115 clinically healthy dogs, 29 dogs with malignant mammary tumours, 12 dogs with various other malignant tumours, 12 dogs with benign mammary tumours and 10 dogs with various other benign tumours. Serum from dogs with malignant mammary tumours and other malignant tumours had a statistically significant correlation between AGP and TSA concentrations (Spearman correlation coefficient (rS) = 0.52, P = 0.0005, n = 41). The correlation was also statistically significant in dogs with benign mammary tumours and other benign tumours (rS = 0.48, P = 0.02, n = 22). The Spearman correlation coefficient was 0.51 (P = 0.0001, n = 63) in all dogs with tumours. This was also the case if only those dogs with levels of AGP comparable to healthy dogs (< 750 mg/l) were included in the analysis (rS = 0.42, P = 0.01, n = 56). In clinically healthy dogs, the correlation was not statistically significant (rS = 0.17, P = 0.07, n = 115). None of the four groups of dogs with tumours had changed serum AGP concentrations compared to clinically healthy dogs (all t-tests gave P values above 0.05). The serum concentrations of AGP did not correlate with the clinical stage of dogs with mammary tumours. In conclusion, AGP and TSA concentrations in serum are positively correlated in dogs with tumours, partially explaining the increase in serum TSA in these dogs. Increased sialylation of the AGP molecule in dogs with tumours might contribute to the increased serum TSA levels.

Age Factors↗

PubMed2002

Expression of the vascular endothelial growth factor receptor-2/Flk-1 in breast carcinomas: correlation with proliferation.

Vascular endothelial growth factor (VEGF) and its receptor Flk-1/KDR play an important role in vascular permeability and tumor angiogenesis. Prompted by the hypothesis that VEGF/Flk-1 system may have regulatory roles in breast carcinogenesis, we investigated the expression of Flk-1 in 141 invasive breast carcinomas in correlation with clinical and immunohistochemical prognostic parameters, including proliferation indices like Ki-67 and Topoisomerase IIalpha (Topo-IIalpha). The immunohistochemical avidin-biotin-peroxidase method was performed on paraffin sections for the detection of Flk-1, p53, Bcl-2, c-erbB-2, Ki-67, Topo-IIalpha, ER, and PR. Flk-1 was detected in 91 of 141 (64.5%) of invasive breast carcinomas showing a widespread cytoplasmic expression in most of the neoplastic cells. Flk-1 expression was correlated with the menopausal status (P = 0.051) of the patient and the nuclear grade of the invasive breast carcinoma (P = 0.003), but demonstrated no correlation with histologic grade, stage, and patient survival. It is interesting that Flk-1 expression demonstrated a significant correlation with 2 well-established proliferation indices, Ki-67 (P = 0.037) and topo-IIalpha (P = 0.009), whereas there was no correlation with the expression of ER, PR, p53, Bcl-2, and c-erbB-2. Moreover, Flk-1 expression showed an inverse correlation with TIMP-1 mRNA localization in intratumoral stromal cells (P = 0.013). In conclusion, the significant correlation of Flk-1 expression in invasive breast carcinomas with proliferation indices like Ki-67 and topo-IIalpha suggests that VEGF may exert a growth factor activity on mammary cancer cells through its receptor Flk-1. On the other hand, the inverse correlation of Flk-1 with TIMP-1 mRNA in intratumoral stromal cells supports the notion that TIMP-1 may have an inhibitory role on angiogenesis.

Antigens, Neoplasm↗

PubMed2002

18F FDG uptake in the large arteries: a correlation study with the atherogenic risk factors.

It has been reported that there is a high correlation between fluorodeoxyglucose (FDG) uptake in the aorta and macrophage content of atherosclerotic lesions in an experimental rabbit model. We evaluated the frequency of FDG uptake in the large arteries in relation to the atherogenic risk factors. We also investigated whether FDG uptake of the large arteries is related to clinically known coronary artery disease. The presence of FDG uptake was assessed in the abdominal aorta (AA), iliac (IA), and proximal femoral arteries (FAs) in 156 patients. Medical history of the atherogenic risk factors (age, cigarette smoking, hypertension, diabetes, high cholesterol, and obesity) and coronary artery disease (CAD) was identified for each patient. The frequency of vascular FDG uptake was compared between the patients without risk factors (Group I, 23 patients) and those with at least 1 risk factor (Group II, 133 patients). The correlation of each risk factor and known CAD with arterial FDG uptake was also assessed in the 3 different arteries. There was a significant difference in the frequency of FDG uptake between the 2 groups for the FA (22% vs 70%) and IA (30% vs 54%), but not for the AA (35% vs 53%). Among all risk factors, age was the most significant and consistent factor correlating with FDG uptake in all 3 arteries. Hypercholesterolemia also correlated consistently with FDG uptake in all 3 arteries. The correlation between the remaining risk factors and arterial FDG uptake was rather artery specific than consistent throughout all 3 arteries. A higher frequency of FDG uptake in the FA was seen in patients with CAD compared with those without CAD. Not all risk factors correlated with FDG uptake in different arteries. Among the risk factors, age and hypercholesterolemia most consistently correlated with FDG uptake in the AA, and the IA and proximal FAs. The positive correlation of arterial FDG uptake with the atherogenic risk factors suggested a promising role for FDG-PET imaging in the diagnosis of atherosclerosis and follow-up after treatment intervention.

Adolescent↗

PubMed2004

Correlation energy of many-electron systems: a modified Colle-Salvetti approach.

The Colle and Salvetti approach [Theo. Chim. Acta 37, 329 (1975)] to the calculation of the correlation energy of a system is modified in order to explicitly include into the theory the kinetic contribution to the correlation energy. This is achieved by deducing from a many electrons wave function, including the correlation effects via a Jastrow factor, an approximate expression of the one-electron reduced density matrix. Applying the latter to the homogeneous electron gas, an analytic expression of the correlation kinetic energy is derived. The total correlation energy of such a system is then deduced from its kinetic contribution inverting a standard procedure. At variance of the original Colle-Salvetti theory, the parameters entering in both the kinetic correlation and the total correlation energies are determined analytically, leading to a satisfactory agreement with the results of Perdew and Wang [Phys. Rev. B 45, 13244 (1992)]. The resulting (parameter-free) expressions give rise to a modified-local-density approximation that can be used in self-consistent density-functional calculations. We have performed such calculations for a large set of atoms and ions and we have found results for the correlation energies and for the ionization potentials which improve those of the standard local-density approximation.

Journal Article↗

PubMed2005

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.

The basis set and electron correlation effects on the static polarizability (alpha) and second hyperpolarizability (gamma) are investigated ab initio for two model open-shell pi-conjugated systems, the C(5)H(7) radical and the C(6)H(8) radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C(6)H(8) whereas diffuse functions are compulsory for C(5)H(7), in particular, p diffuse functions. In addition to the 6-31G(*)+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for alpha and gamma of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds gamma values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged alpha and gamma values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of alpha and gamma have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.

Journal Article↗