Miracle-dz/UniFAR-FTUs huggingface dataset:
Spectrométrie de masse supramoléculaire : caractérisation de l'intéraction non-covalente entre PEBP1/RKIP humaine et des analogues de nucléotides

L'etude des interactions non-covalentes et des relations structure-fonction est a la base de la comprehension des systemes biologiques. La MS supramoleculaire est une technique de choix pour l’etude des interactions proteine/proteine ou proteine/ligand. Dans le cadre d'etudes qualitatives ou quantitatives, pour chaque systeme etudie, les conditions experimentales et les parametres instrumentaux ont ete optimises pour conserver le complexe en phase gazeuse (1). L'objectif principal de ce travail est de caracteriser le site nucleotidique de hPEBP1 et de contribuer a la decouverte de molecules anti-metastases. Sur le plan fonctionnel, une activite enzymatique de hPEBP1 n'a pas pu etre mise en evidence. Pour ce projet, une methode MS de determination de KD de complexes a faible affinite, plus precise et ne necessitant par l'utilisation d'un ligand de reference a ete developpee (2). Une recherche des determinants structuraux d'un ligand optimal de hPEBP1 a ete realisee par criblage de composes issus d’une synthese raisonnee basee sur la structure des nucleotides FMN et GTP et par la determination de leur KD (3). Les criblages ont montre que les criteres structuraux indispensables pour la liaison sont la presence d’un groupement charge ou donneur d’electrons, d’une structure apparentee a une base azotee et d’un cycle additionnel. Une part importante de l’affinite est liee au caractere hydrophobe du ligand. Certains ligands de synthese ont montre une activite inhibitrice de l’invasion des lignees tumorales.
Rapid Microscopic Fractional Anisotropy Imaging via an Optimized Kurtosis Formulation

Water diffusion anisotropy in the human brain is affected by disease, trauma, and development. Microscopic fractional anisotropy (FA) is a diffusion MRI (dMRI) metric that can quantify water diffusion anisotropy independent of neuron fiber orientation dispersion. However, there are several different techniques to estimate FA and few have demonstrated full brain imaging capabilities within clinically viable scan times and resolutions. Here, we present an optimized spherical tensor encoding (STE) technique to acquire FA directly from the 2nd order cumulant expansion of the dMRI signal (i.e. diffusion kurtosis) which requires fewer powder-averaged signals than other STE fitting techniques and can be rapidly computed. We found that the optimal dMRI parameters for white matter FA imaging were a maximum b-value of 2000 s/mm2 and a ratio of isotropic to linear tensor encoded acquisitions of 1.7 for our system specifications. We then compared two implementations of the direct approach to the well-established gamma model in 4 healthy volunteers on a 3 Tesla system. One implementation of the direct cumulant approach used mean diffusivity (D) obtained from a 2nd order fit of the cumulant expansion, while the other used a linear estimation of D from the low b-values. Both implementations of the direct approach showed strong linear correlations with the gamma model ({rho}=0.97 and {rho}=0.90) but mean biases of -0.11 and -0.02 relative to the gamma model were also observed, respectively. All three FA measurements showed good test-retest reliability ({rho}[≥]0.79 and bias=0). To demonstrate the potential scan time advantage of the direct approach, 2 mm isotropic resolution FA was demonstrated over a 10 cm slab using a subsampled data set with fewer powder-averaged signals that would correspond to a 3.3-minute scan. Accordingly, our results introduce an optimization procedure that has enabled clinically relevant, nearly full brain FA in only several minutes.
Varietal differences in puffing quality of ragi (Eleusine coracana).

14 var. of ragi were studied for their puffing quality. The puffing yield ranged from 67 to 97%, and bulk vol. from 3.9 to 7.7 ml/g. The effects of moisture content, conditioning time and puffing temp. were studied for fixing optimum conditions, which were 19% moisture content, 4 h conditioning and puffing in sand medium at 270 degree C. No consistent relationship was observed between grain amylose, protein content or bran thickness and puffing quality among the 14 var. Purna, Annapurna, Shakti, P.R. 202, and Indaf-3 var. possess good puffing quality.
Pollen identification multimedia software: a microtaxonomic palaeobotanical research tool

The utility of the graphically pollen identifiable software as a capacity building, microtaxonomic palaeobotanical research tool is briefly described. The software accompanying a user manual (a booklet) enables many levels of users to learn palynology “at the click of a mouse”. The rationale and operation of the pollen identification system like the parent software IDAO is based on the principle of co-efficient of similarity and character weighting (vide Gower, 1971; Grard, 2000). A total of 145 selected genera belonging to 60 dicot and 2 monocot families have been listed. Out of selected genera, 14 are mangroves and most of the remaining genera come from the evergreen forests of Western Ghats. The vector drawings of weighted 136 pollen character states (in 30 character-interfaces) are also provided. The two major parts of this application, the Graphical Pollen Identification System and the Results are explained. A plate with the pollen digital images of 24 pollen types exemplifies palyno-diversity providing clues for parent-plant determination.
Complexes dinucléaires Ruthénium-cyanamides : composés modèles pour l'étude de la communication électronique à longue distance

La communication electronique dans des complexes dinucleaires du ruthenium peut etre caracterisee soit par le couplage electronique Vab dans le systeme a valence mixte (RuII-RuIII), soit par le couplage magnetique J dans le systeme homovalent paramagnetique (RuIII-RuIII). L'objectif de ce travail etait d'obtenir une famille de composes en faisant varier la longueur du ligand pontant et de mesurer les interactions electronique et magnetique afin d'etablir une correlation entre J et Vab. Une premiere famille de complexes dinucleaires du ruthenium [{RuII(tpy)(acac)}2(µ-L)] (ou tpy = 2,2'-6',2''-terpyridine, acac = acetylacetonate et L est un ligand pontant dicyanamide) a ete synthetisee. Ces complexes, bien que prometteurs pour la mesure des couplages electroniques et magnetiques, n'ont pas pu etre caracterises et etudies completement en raisons des problemes de solubilite rencontres. Une deuxieme famille de composes [{RuII(tpy)(thd)}2(µ-L)] (ou thd = 2,2,6,6-tetramethylheptanedione), plus solubles de par la presence de groupements tert-butyles, a ensuite ete synthetisee, la distance metal-metal variant entre 12,0 et 25,1 A. Les formes a valence mixte RuII-RuIII de ces complexes ont ete generees par electrochimie et le couplage electronique Vab determine par spectroscopie UV-Vis-Proche IR. On retrouve une decroissance exponentielle de ce parametre avec la distance metal-metal. Les formes homovalentes paramagnetiques RuIII-RuIII ont ete generees chimiquement et/ou electrochimiquement, des mesures de susceptibilite magnetique et des etudes RPE ont permis la determination du parametre de couplage magnetique J et la mise en evidence d'une loi de decroissance exponentielle de ce parametre avec la distance metal-metal. Le complexe le plus court de cette famille [{RuII(tpy)(thd)}2(µ-dicyd)] (ou dicyd = dicyanamidobenzene) presente un comportement tres different. Des etudes electrochimiques, spectroscopiques (UV-Vis-PIR, RPE), magnetiques et cristallographiques completees par des calculs DFT ont mis en lumiere la non-innocence du ligand dicyanamidobenzene dans ce type de systemes. En l'occurrence, celui-ci est oxyde avant les deux ions ruthenium (II).
Caractérisation de nanofils de silicium par microscope électronique en transmission

Le but de cette these a ete de mieux comprendre les mecanismes de croissance de nanofils de silicium fait par le procede Vapeur Liquide Solide et de controler la structure cristalline, la composition chimique et les proprietes electroniques grâce a la microscopie electronique en transmission. Un premier sujet a ete le comportement du catalyseur d'or pendant la croissance. Nous avons demontre que pendant la croissance, l'or peut diffuser sur les flancs des nanofils. Cette diffusion peut etre controlee par la pression du silane, la temperature et le diametre du fil. Selon ces parametres, la surface des nanofils est modifiee lorsque le silane est absorbe sur les flancs, ce qui empeche l'or de se diffuser. Dans un deuxieme temps, une etude des proprietes cristallographiques des nanofils a ete menees. Peu de defauts sont presents dans les fils catalyses par or. La densite des defauts (macles) peut augmenter considerablement en utilisant un catalyseur de Ni et les grains differents presents dans le cristal peuvent se superposer dans l'image TEM, ce qui peut etre interprete comme phase hexagonale. Grâce a une tranche de fil, nous demontrons qu'il n'y a pas de phase hexagonale. Enfin, une etude des dopants actifs par holographie electronique a ete realisee. Nous montrons pour la premiere fois un contraste de dopants dans les nanofils de 60 nm de diametre. La mesure des dopants d'une concentration de 10(18) at. Cm(-3) par rapport au silicium intrinseque est possible. La comparaison entre experiences et simulations du potentiel montre que la quantite de charge en surface est extremement importante et de l'ordre -1x10(12) e. C. (charge electronique) cm(-2), en accord avec des mesures du transport.
Lipídios totais e ácidos graxos na informação nutricional do rótulo dos alimentos embalados: aspectos sobre legislação e quantificação

A ingestão excessiva de ácidos graxos saturados e trans na dieta tem sido correlacionada ao aumento do risco de doenças cardiovasculares. No Brasil, conforme a Resolução RDC 360/03 da Agência Nacional de Vigilância Sanitária (ANVISA) é exigida a declaração do teor de gordura total (GT) ou lipídios, ácidos graxos saturados (AGS) e trans (AGT) na rotulagem dos alimentos embalados, entre outros nutrientes, como estratégia de prevenção das doenças crônicas. Cabe aos laboratórios oficiais verificarem os teores declarados por meio da análise. No entanto, não estão uniformizadas as definições quanto aos componentes lipídicos, tão pouco quanto aos métodos analíticos a serem adotados, inclusive nos laboratórios brasileiros. Considerando-se as exigências legais, a diversidade dos métodos analíticos disponíveis e, principalmente, o direito do consumidor de obter informações confiáveis, a presente revisão teve como objetivo abordar aspectos sobre a legislação de rotulagem nutricional obrigatória dos alimentos, bem como sobre as etapas críticas dos métodos analíticos de quantificação dos componentes lipídicos. Estas etapas podem levar a divergências significativas nos teores obtidos para os nutrientes. Reforçam-se as evidências da necessidade de padronização das metodologias nos laboratórios brasileiros. Tal padronização contribuirá para garantir o direito do consumidor em obter informações uniformes e exatas sobre os alimentos que adquire, e possibilitará a escolha dos mais saudáveis, além de favorecer a inserção dos produtos brasileiros no mercado internacional.
Two-Dimensional Model Simulations of Interannual Variability in the Tropical Stratosphere

Meteorological data from the United Kingdom Meteorological Office (UKMO) and constituent data from the Upper Atmospheric Research Satellite (UARS) are used to construct yearly zonal mean dynamical fields for the 1990s for use in the GSFC 2-D chemistry and transport model. This allows for interannual dynamical variability to be included in the model constituent simulations. In this study, we focus on the tropical stratosphere. We find that the phase of quasi-biennial oscillation (QBO) signals in equatorial CH4, and profile and total column 03 data is resolved quite well using this empirically- based 2-D model transport framework. However. the QBO amplitudes in the model constituents are systematically underestimated relative to the observations at most levels. This deficiency is probably due in part to the limited vertical resolutions of the 2-D model and the UKMO and UARS input data sets. We find that using different heating rate calculations in the model affects the interannual and QBO amplitudes in the constituent fields, but has little impact on the phase. Sensitivity tests reveal that the QBO in transport dominates the ozone interannual variability in the lower stratosphere. with the effect of the temperature QBO being dominant in the tipper stratosphere via the strong temperature dependence of the ozone loss reaction rates. We also find that the QBO in odd nitrogen radicals, which is caused by the QBO modulated transport of NOy, plays a significant but not dominant role in determining the ozone QBO variability in the middle stratosphere. The model mean age of air is in good overall agreement with that determined from tropical lower,middle stratospheric OMS balloon observations of SF6 and CO2. The interannual variability of tile equatorial mean age in the model increases with altitude and maximizes near 40 km, with a range, of 4-5 years over the 1993-2000 time period.
Maternal obesity before pregnancy predicts offspring blood pressure at 18 years of age: A causal mediation analysis

Importance: Hypertension is the second most common pediatric chronic disease in Westernized countries. Understanding the natural history of hypertension is key to identifying prevention strategies. Objective: Examine the relationship between maternal pre-pregnancy body mass index (BMI) and offspring blood pressure at 18 years and the mediating role of growth throughout childhood and adolescence. Design, Setting, and Participants: We performed multivariable regression and causal mediation analyses within 3217 mother offspring pairs from the Avon Longitudinal Study of Parents and Children (ALSAPC) prospective birth cohort. Latent trajectory analysis (LTA) was used to quantify the mediating variable of offspring BMI from 7 to 18 years of age. Exposures: The main exposure was maternal prepregnancy BMI. Analyses were adjusted for relevant confounders including maternal education, maternal blood pressure, and weeks gestation at delivery. Main Outcomes and Measures: The main outcome was offspring blood pressure at 18 years of age categorized as normal (SBP < 120 mmHg or DBP < 80mmHg) or elevated (SBP [≥] 120 mmHg or DBP [≥] 80 mmHg) as per the 2017 American Academy of Pediatrics guidelines. Results: At 18 years of age, among 3217 offspring, 676 (21%) were overweight or obese, 865 (27%) had elevated blood pressure, and 510 (16%) were hypertensive. LTA identified five distinct offspring BMI trajectories. Multivariate logistic regression revealed that for every 1 unit increase in maternal BMI the risk of elevated blood pressure at 18 years of age increased by 5% (aOR: 1.05, 95% CI: 1.03, 1.07; p <0.001) and this effect was reduced after adjusting for offspring BMI trajectory (aOR: 1.03, 95% CI: 1.00,1.05; p = 0.017). Causal mediation analysis confirmed offspring BMI trajectory as a mediator accounting for 46% of the total effect of maternal BMI on elevated offspring blood pressure (aOR 1.22; 95% CI: 1.07,1.39). Conclusion and Relevance: Maternal BMI prior to pregnancy is associated with an increased risk of elevated blood pressure in offspring at 18 years of age and is mediated, in part, by offspring BMI trajectory throughout childhood and adolescence.
Permeability Prediction and Characteristics of Pore Structure and Geometry as Inferred from Core Data

A quick, inexpensive way to maximize the use of routine core analysis data is desired to support both geological and engineering works. Better understanding about pore structure and geometry that relate to hydraulic characteristics of a pores system can lead to improved reservoir characterization. The objectives of this paper are to present techniques to improve permeability prediction and identify the implications of relationship between pore structural and geometrical attributes on hydraulic characteristic of rock samples. The present work is based on equations of capillary model. The equations in fact contain three important hydraulic parameters: mean and effective hydraulic diameters as the geometrical parameters and hydraulic conductivity as the structural parameter. These parameters and porosity are the main variables to be used in the crossplot analysis and interpretation. This work is facilitated with two core data sets of sandstones and carbonates. It is demonstrated that crossplot of the effective hydraulic diameter against porosity can be used to predict permeability. Comparisons between this technique and the previous one show that the present technique results in less scatter data points and overall gives better permeability prediction. The crossplot of either effective or mean hydraulic diameter versus hydraulic conductivity works perfectly in dividing all the data points into several distinct groups. The data points of each group are lining to form a straight line. Two and four distinct straight lines with different slopes are formed, respectively, for the sandstones and carbonates. These are in excellent agreement with the electrofacies and the result of Leverett’s J-Function analysis. Overall, this paper provides the related theoretical background and detailed discussion on the results, giving better understanding about pore structure and geometry and its relation with permeability and rock typing.
Light microscopic studies on pollen grains of selected Cyperaceae species from southern Tamil Nadu, India: Relevance in Holocene sediment studies

Seven species of Cyperaceae have been selected for quantitative pollen morphological studies through light microscopy as a practical application in the reconstruction of Late Holocene vegetation. Such a study has been taken up because this large family has so far been referred to as one pollen type by the palynologists most of whom have attributed wet lands/marsh lands as the habitat of the members. Though most of the members are found in wet lands, some are found in drier habitats also, making it essential that this family be sub-classified, for which a preliminary attempt has been made in this paper in the study area in southern Tamil Nadu, India, that offers a diversity of habitats. The species chosen are Bulbostylis barbata (Rottb.) Kunth ex Clarke, Cyperus compressus Linn. , C. rotundus Linn. , Fimbristylis argentea (Rottb.) Vahl. , F. ovata (Burm. f.) Kern, Kyllinga bulbosa Beauv. and Scirpus articulatus Linn. Two subtypes were identified among these seven species, with Fimbristylis having distinctive pollen morphological characters.
Restricted Thyroglobulin Antibody Epitope Specificities in Subjects With Type 1 Diabetes Mellitus Short title - TgAb epitopes in T1DM

Objectives: Following iodisation in Sri Lanka we observed a high prevalence of thyroglobulin antibodies (TgAbs) in type 1 diabetic (T1DM) patients. The clinical significance of these TgAbs is uncertain. We sought to obtain a detailed epitope analysis of TgAbs in T1DM patients recruited from diabetes clinics and to compare these with TgAb epitope specificities in patients with autoimmune thyroid disease (AITD) and healthy individuals in that country. Design and methods: We used a panel of 10 thyroglobulin monoclonal antibodies (Tg-Mabs) in competitive ELISA reactions in a prospective study of subjects recruited from Colombo, to determine the epitopes recognised by TgAb-positive patients with T1DM (n=58, 34F:24M, median age 16 years), AITD patients (n=42, 33F:9M, median age 37 years) and healthy subjects (n=50, 39F:11M, median age 27 years). The outcomes were a comparison of reactivity with 6 Tg clusters (I-VI) in these subjects, and the relation of epitope specificity patterns with free thyroxine (FT4) and TSH. Results: Patients with T1DM and AITD but not healthy control subjects preferentially recognised the immunodominant clusters, I, III and IV. Patients with these narrow epitope specificities had higher median TSH levels (1.60 vs 1.06; P=0.01), and were more frequently positive for TPOAb than those with broad specificities (52.3% vs 7.1%; P=0.004). Conclusions: The TgAb epitope specificities in euthyroid Sri Lankans with T1DM are similar to AITD patients. TgAb epitope studies may potentially identify type 1 diabetic patients at risk of thyroid dysfunction. Page 2 of 16
Semiclassical limit of 4-dimensional spin foam models

We study the semiclassical properties of the Riemannian spin foam models with Immirzi parameter that are constructed via coherent states. We show that, in the semiclassical limit, the quantum spin foam amplitudes of an arbitrary triangulation are exponentially suppressed if the face spins do not correspond to a discrete geometry. When they do arise from a geometry, the amplitudes reduce to the exponential of i times the Regge action. Remarkably, the dependence on the Immirzi parameter disappears in this limit.
Experimental oscillator strengths and hyperfine constants in Nb ii

We used high-resolution Fourier transform spectroscopy to measure new and improved transition probabilities and hyperfine data for singly ionized niobium. Intensity calibrated spectra were used to measure branching fractions of 145 Nb ii lines in the wavelength interval 2600–4600 A. Combining the branching fractions with previously reported lifetimes, absolute oscillator strengths for these 145 transitions were derived. In addition, line structures due to magnetic hyperfine interaction were studied resulting in new hyperfine splitting constants for 28 even and 24 odd energy levels.
'Click' Chemistry in Polymer and Material Science: An Update

The metal catalyzed azide/alkyne ‘click’ reaction (a variation of the Huisgen 1,3-dipolar cycloaddition reaction between terminal acetylenes and azides) has vastly increased in broadness and application in the field of polymer science. Thus, this reaction represents one of the few universal, highly efficient functionalization reactions, which combines both high efficiency with an enormously high tolerance of functional groups and solvents under highly moderate reaction temperatures (25–70 °C). The present review assembles an update of this reaction in the field of polymer science (linear polymers, surfaces) with a focus on the synthesis of functionalized polymeric architectures and surfaces.
Sleeping at the switch

Sleep slow waves are studied for their role in brain plasticity, homeostatic regulation and their changes during aging. Here, we address the possibility that two types of slow waves co-exist in humans. Thirty young and 29 older adults underwent a night of polysomnographic recordings. Using the Transition frequency, slow waves with a slow transition (slow switchers) and with a fast transition (fast switchers) were discovered. Slow switchers had a high EEG connectivity along their depolarization transition while fast switchers had a lower connectivity dynamic and dissipated faster during the night. Aging was associated with lower temporal dissipation of sleep pressure in slow and fast switchers and lower EEG connectivity at the microscale of the oscillations, suggesting a decreased flexibility in the connectivity network of older individuals. Our findings show that two different types of slow waves with possible distinct underlying functions, coexist in the slow wave spectrum.