Reproducible validation and replication studies in nanoscale physics.

Credibility building activities in computational research include verification and validation, reproducibility and replication, and uncertainty quantification. Though orthogonal to each other, they are related. This paper presents validation and replication studies in electromagnetic excitations on nanoscale structures, where the quantity of interest is the wavelength at which resonance peaks occur. The study uses the open-source software PyGBe: a boundary element solver with treecode acceleration and GPU capability. We replicate a result by Rockstuhl et al. (2005, doi:10/dsxw9d) with a two-dimensional boundary element method on silicon carbide (SiC) particles, despite differences in our method. The second replication case from Ellis et al. (2016, doi:10/f83zcb) looks at aspect ratio effects on high-order modes of localized surface phonon-polariton nanostructures. The results partially replicate: the wavenumber position of some modes match, but for other modes they differ. With virtually no information about the original simulations, explaining the discrepancies is not possible. A comparison with experiments that measured polarized reflectance of SiC nano pillars provides a validation case. The wavenumber of the dominant mode and two more do match, but differences remain in other minor modes. Results in this paper were produced with strict reproducibility practices, and we share reproducibility packages for all, including input files, execution scripts, secondary data, post-processing code and plotting scripts, and the figures (deposited in Zenodo). In view of the many challenges faced, we propose that reproducible practices make replication and validation more feasible. This article is part of the theme issue 'Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification in silico'.

Inhomogeneity of charge-density-wave order and quenched disorder in a high-Tc superconductor.

It has recently been established that the high-transition-temperature (high-Tc) superconducting state coexists with short-range charge-density-wave order and quenched disorder arising from dopants and strain. This complex, multiscale phase separation invites the development of theories of high-temperature superconductivity that include complexity. The nature of the spatial interplay between charge and dopant order that provides a basis for nanoscale phase separation remains a key open question, because experiments have yet to probe the unknown spatial distribution at both the nanoscale and mesoscale (between atomic and macroscopic scale). Here we report micro X-ray diffraction imaging of the spatial distribution of both short-range charge-density-wave 'puddles' (domains with only a few wavelengths) and quenched disorder in HgBa2CuO4 + y, the single-layer cuprate with the highest Tc, 95 kelvin (refs 26-28). We found that the charge-density-wave puddles, like the steam bubbles in boiling water, have a fat-tailed size distribution that is typical of self-organization near a critical point. However, the quenched disorder, which arises from oxygen interstitials, has a distribution that is contrary to the usually assumed random, uncorrelated distribution. The interstitial-oxygen-rich domains are spatially anticorrelated with the charge-density-wave domains, because higher doping does not favour the stripy charge-density-wave puddles, leading to a complex emergent geometry of the spatial landscape for superconductivity.

The effect of long-range order on intermolecular interactions in organic semiconductors: zinc octaethyl porphyrin molecular thin film model systems.

In order to optimize the performance of devices based on porphyrin thin films it is of great importance to gain a physical understanding of the various factors which affect their charge transport and light-harvesting properties. In this work, we have employed a multi-technique approach to study vacuum deposited zinc octaethyl porphyrin (ZnOEP) thin films with different degrees of long-range order as model systems. An asymmetrical stretching of the skeletal carbon atoms of the porphyrin conformer has been observed and attributed to ordered molecular stacking and intermolecular interactions. For ordered films, a detailed fitting analysis of the X-ray absorption near edge structure (XANES) using the MXAN code establishes a symmetry reduction in the molecular conformer involving the skeletal carbon atoms of the porphyrin ring; this highlights the consequences of increased π-π stacking of ZnOEP molecules adopting the triclinic structure. The observed asymmetrical stretching of the π conjugation network of the porphyrin structure can have significant implications for charge transport and light harvesting, significantly influencing the performance of porphyrin based devices.

Evidence for a Strong Topological Insulator Phase in ZrTe_{5}.

The complex electronic properties of ZrTe_{5} have recently stimulated in-depth investigations that assigned this material to either a topological insulator or a 3D Dirac semimetal phase. Here we report a comprehensive experimental and theoretical study of both electronic and structural properties of ZrTe_{5}, revealing that the bulk material is a strong topological insulator (STI). By means of angle-resolved photoelectron spectroscopy, we identify at the top of the valence band both a surface and a bulk state. The dispersion of these bands is well captured by ab initio calculations for the STI case, for the specific interlayer distance measured in our x-ray diffraction study. Furthermore, these findings are supported by scanning tunneling spectroscopy revealing the metallic character of the sample surface, thus confirming the strong topological nature of ZrTe_{5}.

A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers.

The continuum theory applied to biomolecular electrostatics leads to an implicit-solvent model governed by the Poisson-Boltzmann equation. Solvers relying on a boundary integral representation typically do not consider features like solvent-filled cavities or ion-exclusion (Stern) layers, due to the added difficulty of treating multiple boundary surfaces. This has hindered meaningful comparisons with volume-based methods, and the effects on accuracy of including these features has remained unknown. This work presents a solver called PyGBe that uses a boundary-element formulation and can handle multiple interacting surfaces. It was used to study the effects of solvent-filled cavities and Stern layers on the accuracy of calculating solvation energy and binding energy of proteins, using the well-known apbs finite-difference code for comparison. The results suggest that if required accuracy for an application allows errors larger than about 2% in solvation energy, then the simpler, single-surface model can be used. When calculating binding energies, the need for a multi-surface model is problem-dependent, becoming more critical when ligand and receptor are of comparable size. Comparing with the apbs solver, the boundary-element solver is faster when the accuracy requirements are higher. The cross-over point for the PyGBe code is in the order of 1-2% error, when running on one gpu card (nvidia Tesla C2075), compared with apbs running on six Intel Xeon cpu cores. PyGBe achieves algorithmic acceleration of the boundary element method using a treecode, and hardware acceleration using gpus via PyCuda from a user-visible code that is all Python. The code is open-source under MIT license.

Long-term reduction in poly(dimethylsiloxane) surface hydrophobicity via cold-plasma treatments.

Poly(dimethylsiloxane), PDMS, a versatile elastomer, is the polymer of choice for microfluidic systems. It is inexpensive, relatively easy to pattern, and permeable to oxygen. Unmodified PDMS is highly hydrophobic. It is typically exposed to an oxygen plasma to reduce this hydrophobicity. Unfortunately, the PDMS surface soon returns to its original hydrophobic state. We present two alternative plasma treatments that yield long-term modification of the wetting properties of a PDMS surface. An oxygen plasma pretreatment followed by exposure to a SiCl4 plasma and an oxygen-CCl4 mixture plasma both cause a permanent reduction in the hydrophobicity of the PDMS surface. We investigate the properties of the plasma-treated surfaces with X-ray photoelectron spectroscopy (XPS) and contact angle measurements. We propose that the plasma treated PDMS surface is a dynamic mosaic of high- and low-contact-angle functionalities. The SiCl4 and CCl4 plasmas attach polar groups that block coverage of the surface by low-molecular-weight groups that exist in PDMS. We describe an application that benefits from these new plasma treatments, the use of a PDMS stencil to form dense arrays of DNA on a surface.

Mediterranean diet adherence in individuals with prediabetes and unknown diabetes: the Di@bet.es Study.

BACKGROUND AND AIMS: Mediterranean diet (MedDiet) is causally related to diabetes and is a dietary pattern recommended to individuals with diabetes. We investigated MedDiet adherence in individuals with prediabetes and unknown (PREDM/UKDM) or known diabetes (KDM) compared to those with normal glucose metabolism (NORMAL). METHODS: This was a national, population-based, cross-sectional, cluster-sampling study. MedDiet adherence was scored (MedScore, mean ± SD 24 ± 5) using a qualitative food frequency questionnaire. Logistic regression was used to examine the association between MedScore and PREDM/UKDM or KDM versus control subjects. RESULTS: We evaluated 5,076 individuals. Mean age was 50 years, 57% were female, 826 (582/244) were PREDM/UKDM, 478 were KDM and 3,772 were NORMAL. Mean age increased across MedScore tertiles (46, 51 and 56 years, p < 0.0001). Higher age-adjusted adherence to MedDiet (5-unit increment in the MedScore) was associated with lower and nondifferent odds (OR, 95% CI) of prevalent PREDM/UKDM (0.88, 0.81-0.96, p = 0.001) and KDM (0.97, 0.87-1.07, p = 0.279), respectively, compared to individuals in the NORMAL group. CONCLUSIONS: In a representative sample of the whole Spanish population, MedDiet adherence is independently associated with PREDM/UKDM. Therapeutic intervention may be, in part, responsible for the lack of differences in adherence observed between the KDM and NORMAL groups. However, reverse causation bias cannot be ruled out in cross-sectional studies.

Trepanations in non-adults of the 16th to 18th C. The osteological series of the Church of the Assumption of Valdepeñas (Ciudad Real, Spain).

OBJECTIVE: To investigate the presence of trepanations in an early Modern Age, skeletal collection documented in medical treatises but infrequently reported in osteological collections. MATERIALS: Analyses were conducted on 387 non-adult crania from the ossuary in the church of the Assumption of Valdepeñas (16th - 18th C.), Ciudad Real, Spain. METHODS: All complete or semi-complete crania of non-adults (aged 3-20 years) were macroscopically examined. RESULTS: Trepanation was detected in two adolescents aged 14 and 20 years; no evidence of their survival was observed. CONCLUSIONS: These findings suggest that trepanation was carried out in rural areas as Valdepeñas in the 16th-18th centuries, where the selection of instruments indicates knowledge of contemporaneous medical treatises. SIGNIFICANCE: The present study provides new data on trepanation and how it was performed in adolescents during this period. LIMITATIONS: Understanding the motive for these interventions is highly challenging in the absence of bone lesions, and their occurrence is likely underestimated due to the scant research in skeletal remains from the early Modern Age. SUGGESTIONS FOR FUTURE RESEARCH: Further palaeopathological analyses of osteological collections from this period will provide more information about how this surgical technique was perfected.

Lung injury mediated by antibodies to endothelium. I. In the rabbit a repeated interaction of heterologous anti-angiotensin-converting enzyme antibodies with alveolar endothelium results in resistance to immune injury through antigenic modulation.

To study the effects of relatively long-term interaction of antibodies with surface antigens of lung endothelium, rabbits were intravenously injected for a maximum of 4 d with goat anti-rabbit lung angiotensin-converting enzyme (Gt anti-RbACE) antibodies. On day 1 69%, on day 2 13%, and on days 3 and 4 of injection none of the rabbits developed lethal pulmonary edema. By immunofluorescence microscopy, deposits of GtIgG, frequently in association with RbC3, were found along the endothelium of alveolar capillary walls in all rabbits studied on day 1, in 57% on day 2, in 33% on day 3, and in none of them on day 4. While in vitro anti-ACE antibodies bound in a linear pattern to the lung endothelium, the binding pattern in vivo was distinctly granular. The in vivo interaction of antibodies with ACE also redistributed ACE in a granular pattern along capillary walls. In contrast to the granular deposition of injected anti-ACE IgG and F(ab')2 fragments of anti-ACE IgG, Fab fragments of anti-ACE IgG localized, without fixing C3, in a linear pattern along the endothelium of lung capillaries and did not modify the normal distribution of ACE. However, when the injection of Fab fragments of Gt anti-RbACE IgG was followed by an injection of Rb anti-GtIgG serum, granular deposits of Gt Fab fragments, RbIgG and RbC3 were seen along alveolar capillary walls. Biochemical measurement of ACE activity in lung homogenates provided data in agreement with those obtained by immunofluorescence microscopy, showing diminished activity to none on day 4, with some return of ACE activity on day 5, 24 h after the last injection of antibody, and normal values on day 21. The results obtained indicate that divalent antibodies to an antigen expressed on the plasma membrane of rabbit lung endothelial cells promotes a rapid redistribution of antigenic receptors, fixation of complement and, in surviving rabbits, disappearance of the antigen from the endothelial cells that are no longer susceptible to immune injury. In vivo "immunologic enzymectomy" induced by a ligand-surface antigen interaction is an example of antigenic modulation. These events may have an important role in the pathogenesis of inflammatory lesions induced by antibodies reacting with antigens expressed on the plasma membrane of cells in the lung and in other organs.

How many children and adolescents in Spain comply with the recommendations on physical activity?

AIM: Physical inactivity is likely one of the main causes of obesity and other chronic diseases. This study shows descriptive data on physical activity and compliance with the health enhancing physical activity recommendations for children and adolescents and the determining factors among the Spanish population. METHODS: The population of the study was enrolled for the enKid study, a cross-sectional study carried out on a representative sample of Spanish children, adolescents and youth to evaluate nutritional status and food intake. A subsample of the enKid study including individuals from 6 to 18 years was evaluated for compliance with the recommendation for health enhancing physical activity. RESULTS: The results showed that only 48% of individuals from 6 to 18 years did at least 60 minutes of physical activity daily. Forty nine percent of girls and 37% of boys did not practice any sports during their leisure time. The percentage of active people diminishes as they get older, especially with reference to girls. Social status and mother's educational level act positively on the level of physical activity of the population. CONCLUSION: Exercise is not a widespread leisure time activity in Spanish children and youth and few individuals did enough exercise for health promotion. Public health campaigns should take into account socio-economic variables and improve the access to sports facilities.

Versatile organoaluminium catalysts based on heteroscorpionate ligands for the preparation of polyesters.

A series of alkyl aluminium complexes based on heteroscorpionate ligands were designed as catalysts for the ring-opening polymerisation of cyclic esters and ring-opening copolymerisation of epoxides and anhydrides. Treatment of AlX3 (X = Me, Et) with ligands bpzbeH [bpzbe = 1,1-bis(3,5-dimethylpyrazol-1-yl)-3,3-dimethyl-2-butoxide], bpzteH [bpzte = 2,2-bis(3,5-dimethylpyrazol-1-yl)-1-para-tolylethoxide], and (R,R)-bpzmmH [(R,R)-bpzmm = (1R)-1-{(1R)-6,6-dimethyl-bicyclo[3.1.1]-2-hepten-2-yl}-2,2-bis(3,5-dimethylpyrazol-1-yl)ethoxide] for 2 hours at 0 °C afforded the mononuclear dialkyl aluminium complexes [AlMe2{κ2-bpzbe}] (1), [AlEt2{κ2-bpzbe}] (2), [AlMe2{κ2-(R,R)-bpzmm}] (3) and [AlEt2{κ2-(R,R)-bpzmm}] (4), and the dinuclear dialkyl complexes [AlMe2{κ2-bpzte}]2 (5) and [AlEt2{κ2-bpzte}]2 (6). The molecular structures of the new complexes were determined by spectroscopic methods and confirmed by X-ray crystallography. The alkyl-containing aluminium complexes can act as highly efficient single-component initiators for the ring-opening polymerisation of ε-caprolactone and l-lactide and for the ring-opening copolymerisation of cyclohexene oxide and phthalic anhydride to give a range of biodegradable polyesters.

Nonshielded multipolar vortices at high Reynolds number.

Vortex multipoles--consisting of a core of vorticity closely surrounded by several smaller vorticity concentrations of opposite sign--are obtained from the evolution of vorticity in two-dimensional simulations. Using a meshless vortex method, we obtained triangular and square vortices, surrounded by three and four satellites, respectively. These structures have only been observed before to emerge from zero-circulation initial conditions. We also observed a pentagon vortex. Here, we obtain compound vortices of nonzero total circulation, and suggest a gamut of multipolar asymptotic solutions to the Navier-Stokes equations.

Oxidized and acid thinned starch derivatives of hybrid maize: functional characteristics, wide-angle X-ray diffractometry and thermal properties.

Starch isolated from hybrid maize (8535-23) was subjected to oxidation and acid thinning. Proximate analyses revealed that moisture, ash, protein, fat, fibre, and pH reduced after oxidation and acid thinning. Percentage amylose content reduced from 20.42% in native starch to 18.76 and 17.65% in oxidised and acid thinned starch derivatives, respectively. Wide-angle X-ray diffraction patterns indicated strong peaks at 15.9 degrees, 17.2 degrees, 18.8 degrees, and 25.0 degrees 2theta. No significant difference was observed between the X-ray pattern of the native and modified starches. Both swelling power and solubility increased with increase in temperature. Oxidation and acid thinning reduced swelling power and increased solubility starch. At all pHs, both oxidation and acid thinning reduced the swelling capacity of the native starch. Oxidation increased water and oil absorption capacity of the native starch, while both hydrophilic and hydrophobic properties reduced following acid thinning. Least gelation concentration reduced in acid thinned starch but increased in oxidised derivative. Pasting temperature (Tp), peak viscosity (Pv), hot paste viscosity (Hv), and viscosity after 30 min holding at 95 degrees C (H(v30)) reduced following both modifications. However, values for cold paste viscosity (Cv) and setback (SB) reduced in oxidised derivative and increased in acid thinned starch. Light transmittance of the starch pastes reduced with increase in storage days, however, reduction was more pronounced in native and acid thinned starches. Onset temperature (To), peak temperature (Tp) and conclusion temperature (Tc) of gelatinisation reduced in modified starches compared with native hybrid maize starch. Also, gelatinisation enthalpy reduced after oxidation and acid thinning. Enthalpy of regelatinisation increased as days of storage of starch paste increased.

Interleukin-12 mRNA levels in renal allograft fine-needle aspirates do not correlate with acute transplant rejection.

TH1 cytokines, including gamma-interferon (IFN), are critical in the initiation and progression of allograft rejection. As interleukin (IL)-12 up-regulates gamma-IFN, we assessed the role of IL-12 in human transplant rejection. Twenty renal allograft fine-needle aspirates from 19 patients were obtained, evaluated in the standard fashion, and assessed for gamma-IFN and IL-12p40 subunit mRNA levels using nested reverse transcriptase polymerase chain reaction. Ten aspirates demonstrated acute rejection by clinical criteria, and 9 of the 10 aspirates contained gamma-IFN while only 3 demonstrated IL-12; there were no distinguishing characteristics for these 3 patients with regard to therapy, or time of onset and severity of rejection. Seven patients without clinical or morphologic rejection failed to demonstrate gamma-IFN or IL-12. Three patients had discrepant findings; there was no morphologic rejection, yet all 3 patients contained gamma-IFN and 1 patient demonstrated rejection on subsequent biopsy. However, only 1 aspirate exhibited IL-12 and this patient had no documented subsequent rejection. This study confirms the association of gamma-IFN mRNA with acute rejection. In contrast, IL-12 mRNA does not appear to play a key role early in the rejection process.

Recurrent and de novo diabetic nephropathy in renal allografts.

BACKGROUND: Histologic findings of diabetic nephropathy (DN) are observed in allografts of patients with pretransplant (PreTx) diabetes mellitus (DM) and in patients who develop DM posttransplant (PostTx). Patients with allograft biopsies (Bx) were retrospectively studied to determine the incidence of recurrent and de novo DN and to ascertain what, if any, risk factors predispose to histologic DN in either patient population. METHODS: From the renal transplant services at four hospitals from 1992 to 2000, the authors identified all patients with PreTxDM and PostTxDM (n=81). Those with renal biopsies performed >/=18 months PostTx were classified according to the presence or absence of histologic DN (Bx-positive, n=23; Bx-negative, n=35). Patients were then subdivided into four categories-recurrent DN (n=16), de novo DN (n=7), no recurrent DN (n=27), and no de novo DN (n=8)-for analyses. RESULTS: Among these 58 patients, 74.1% had PreTx and 25.9% had PostTx diabetes. Of those with histologic DN, 69.6% were recurrent DN and 30.4% were de novo DN, making de novo DN at least as likely to develop as recurrent DN. After the onset of diabetes in the de novo population, the time to development of histologic DN was similar in the recurrent and the de novo patients (6.68+/-3.86 years vs. 5.90+/-3.13 years, P=0.66) and more rapid than previously reported. Apart from a more frequent family history of hypertension in patients with allograft DN compared with those without allograft DN, known risk factors for the development of native DN did not significantly differ among patients in the four cohorts. Proposed risk factors related to transplantation did not correlate with the development of recurrent or de novo DN. CONCLUSION: Among patients with histologic DN, de novo DN occurred at least as frequently as recurrent DN, and the time to onset of histologically apparent DN was more rapid than previously reported. Neither the usual clinical predictors of DN nor clinical variables related to transplantation clearly distinguished the group with DN from the group without it, potentially implicating novel mechanisms in its pathogenesis.

Diagnostic immunopathology of the kidney biopsy in rheumatic diseases.

Nephropathies found in systemic lupus erythematosus (SLE), progressive systemic sclerosis, rheumatoid arthritis, Sjögren's syndrome, and mixed connective tissue disease are discussed. Pathogenetic insights derived from the study of kidney tissue are highlighted and clinicopathologic correlations indicated. The question of whether to perform kidney biopsy in lupus patients is also addressed.

Changes in diet and mortality from selected cancers in southern Mediterranean countries, 1960-1989.

Mortality trends of breast, colorectal, ovarian and prostate cancer in Spain, Italy, Greece, Yugoslavia, and England and Wales are presented. Figures are discussed with regard to patterns of consumption of fat-containing foods in these countries. An increase of all cancer site mortality is shown in southern European countries, whereas in England and Wales a decrease in ovarian and colorectal cancer among women is observed. Consumption of milk, meat and animal fat products increased in all Mediterranean countries but decreased in England and Wales. Some differences regarding cancer mortality and food consumption patterns among southern European countries are pointed out. This markedly divergent fat consumption pattern between northern and southern Europe appears to antedate and be associated with their substantial differences in ovarian and colorectal cancer mortality trends, and to a lesser extent with breast cancer.

Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography.

Data were collected from a crystal of CoZnPO-CZP {sodium cobalt-zinc phosphate hydrate, Na(6)[Co(0.2)Zn(0.8)PO(4)](6).6H(2)O} using synchrotron radiation at ELETTRA at the inflection point and 'white line' for both the cobalt and zinc K edges, and at 1.45 Å, a wavelength remote from the K edges of both metals. The data were processed using the programs DENZO and SCALEPACK. The CCP4 program suite was used for the scaling of data sets and the subsequent calculation of dispersive difference Fourier maps. Optimal scaling was achieved by using a subset of reflections with little or no contribution from the metal atoms (i.e. which were essentially wavelength independent in their intensities) and using weights based on the sigma's to obtain an overall scale factor in each case. Phases were calculated with SHELXL97 based on the refined structure using a much higher resolution and complete Cu Kalpha data set. An occupancy of 100% by zinc at the two metal-atom sites was assumed. The dispersive difference Fourier map calculated for zinc gave two peaks above the background of similar heights at the expected metal-atom sites. The peak height at the Zn1 site was a little higher than at the Zn2 site. The dispersive difference Fourier map calculated for cobalt gave just one peak above the background, at the Zn1 site, and only a small peak at the Zn2 site, thus indicating that incorporation of cobalt takes place mainly at one site. Refinement of the zinc occupancies using MLPHARE reinforces this conclusion. The chemical environment of each site is discussed.

[Food consumption and nutrient intake in relation to smoking]. / Relación del consumo de alimentos y nutrientes con el hábito tabáquico.

BACKGROUND: It is well known that smoking and some nutritional habits are two of the most important risk factors for the development of certain cancers and cardiovascular diseases. The purpose of this study is to assess the food and nutrient consumption in relation to smoking in the Catalan population, Spain. SUBJECTS AND METHOD: A representative sample of the Catalan population of 1774 people aged 18 to 64 years from both sexes. Nutritional status was evaluated using selected anthropometrical indexes, and food consumption with two 24-hour recall. Questionnaires about smoking consumption and a semiquantitative frequency questionnaire about alcohol consumption were also administered. RESULTS: Male non smokers consumed more dairy products than smokers, and more fruits and nuts than smokers and ex-smokers. Female non-smokers consumed more chicken, fruits and less sweets than smokers and ex-smokers. In both genders, smokers consumed more alcohol. With respect to nutrients, smokers consumed less fiber than non smokers and more energy from lipids and saturated and monounsaturated fatty acids. CONCLUSIONS: The diet of smokers is less healthy than that of non smokers and ex-smokers, which indicates a higher risk for the incidence of certain cancers and cardiovascular diseases.

[Distribution of blood lipids in a representative sample of the adult population of Catalonia. Research Group on Assessment of the Nutritional Status of the Catalonian Population: Biochemical Assessment]. / Distribución de la concentración de lípidos séricos en una muestra representativa de la población adulta de Cataluña. Grupo de Investigación sobre Evaluación del Estado Nutricional de la Población Catalana: Evaluación Bioquímica.

BACKGROUND: The leading cause of mortality in Spain are cardiovascular diseases. Their prevention largely depends on the control of hypercholesterolemia. The aim of this study is to describe the serum concentration of total cholesterol (TC), HDL-cholesterol (HDLc), LDL-cholesterol (LDLc) and triglycerides in the population of Catalonia (Spain). SUBJECTS AND METHODS: We obtained a representative sample of the catalan population 18-75 years-old in 1993. The concentrations of HDLc was analyzed after precipitation, the concentration of TC and triglycerides was obtained by enzimatic methods, and the concentration of LDLc was calculated using the Friedewald formula. RESULTS: We obtained a sample of 487 women and 393 men (participation rate: 38%). The mean concentrations of TC, LDLc, HDLc and triglycerides was, respectively, of 203.9 mg/dl (SD = 39.7 mg/dl) (5.24 mmol/l, SD = 1.02 mmol/l), 127.5 mg/dl (SD = 35.9 mg/dl) (3.28 mmol/l, SD = 0.92 mmol/l), 55.8 mg/dl (SD = 14.0 mg/dl) (1.45 mmol/l, SD = 0.36 mmol/l) and 103.9 mg/dl (SD = 75.4 mg/dl) (1.15 mmol/l, SD = 0.84 mmol/l). Nineteen percent of the sample had a concentration of TC > 240 mg/dl (6.42 mmol/l), 3.0% a concentration of HDLc < 35 mg/dl (0.91 mmol/l), 17.2% a concentration of LDL > 160 mg/dl (4.11 mmol/l) and 7.4% a concentration of triglycerides > 7.4 mg/dl (2.22 mmol/l). The concentrations of LDLc and triglycerides and the atherogenic index (TC/HDLc) were higher in men than in women and they increased with age. CONCLUSIONS: The cholesterol levels could be considered lower in Catalonia, Spain, than in other developed countries, and there is a tendency to decrease accordingly to the decrease in the cardiovascular mortality rates. However, the lipid profile in men older than 35 years and in women older than 50 years is still a cause of concern.