Chapter Structure Based Design of Cholera Toxin Antagonists

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Structure Based Design of Cholera Toxin Antagonists

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Effect of Dendritic Side Groups on the Mobility of Modified Poly(epichlorohydrin) Copolymers

[EN] The macromolecular dynamics of dendronized copolymer membranes (PECHs), obtained by chemical modification of poly(epichlorohydrin) with the dendron 3,4,5-tris[4-(n-dodecan-1-yloxy)benzyloxy] benzoate, was investigated. In response to a thermal treatment during membrane preparation, these copolymers show an ability to change their shape, achieve orientation, and slightly crystallize, which was also observed by CP-MAS NMR, XRD, and DSC. The phenomenon was deeply analyzed by dielectric thermal analysis. The dielectric spectra show the influence of several factors such as the number of dendritic side groups, the orientation, their self-assembling dendrons, and the molecular mobility. The dielectric spectra present a sub-Tg dielectric relaxation, labelled as gamma, associated with the mobility of the benzyloxy substituent of the dendritic group. This mobility is not related to the percentage of these lateral chains but is somewhat hindered by the orientation of the dendritic groups. Unlike other less complex polymers, the crystallization was dismantled before the appearance of the glass transition (alpha(Tg)). Only after that, clearing transition (alpha(Clear)) can be observed. The PECHs were flexible and offered a high free volume, despite presenting a high degree of modifications. However, the molecular mobility is not independent in each phase and the self-assembling dendrons can be eventually fine-tuned according to the percentage of grafted groups.This research was funded by the Spanish Ministry of Science, Innovation and Universities, grant POLYDECARBOCELL (ENE2017-86711-C3-1-R, ENE2017-86711-C3-3-R).Teruel Juanes, R.; Pascual-Jose, B.; Graf, R.; Reina, JA.; Giamberini, M.; Ribes-Greus, A. (2021). Effect of Dendritic Side Groups on the Mobility of Modified Poly(epichlorohydrin) Copolymers. Polymers. 13(12):1-19. https://doi.org/10.3390/polym13121961119131

Analysis of the independent power of age-related, anthropometric and mechanical factors as determinants of the structure of radius and tibia in normal adults: a pQCT study

To compare the independent influence of mechanical and non-mechanical factors on bone features, multiple regression analyses were performed between pQCT indicators of radius and tibia bone mass, mineralization, design and strength as determined variables, and age or time since menopause (TMP), body mass, bone length and regional muscles’ areas as selected determinant factors, in Caucasian, physically active, untrained healthy men and pre- and post-menopausal women. In men and pre-menopausal women, the strongest influences were exerted by muscle area on radial features and by both muscle area and bone length on the tibia. Only for women, was body mass a significant factor for tibia traits. In men and pre-menopausal women, mass/design/strength indicators depended more strongly on the selected determinants than the cortical vBMD did (p<0.01-0.001 vs n.s.), regardless of age. However, TMP was an additional factor for both bones (p<0.01-0.001). The selected mechanical factors (muscle size, bone lengths) were more relevant than age/TMP or body weight to the development of allometrically-related bone properties (mass/design/strength), yet not to bone tissue “quality” (cortical vBMD), suggesting a determinant, rather than determined role for cortical stiffness. While the mechanical impacts of muscles and bone levers on bone structure were comparable in men and pre-menopausal women, TMP exerted a stronger impact than allometric or mechanical factors on bone properties, including cortical vBMD.Fil: Reina, Paola Soledad. Universidad Nacional de Rosario. Facultad de Cs.medicas. Centro de Est.de Metabolismo Fosfocalcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Cointry, Gustavo Roberto. Universidad Nacional de Rosario. Facultad de Cs.medicas. Centro de Est.de Metabolismo Fosfocalcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Nocciolino, L.. Universidad Nacional de Rosario. Facultad de Cs.medicas. Centro de Est.de Metabolismo Fosfocalcico; ArgentinaFil: Feldman, Sara. Universidad Nacional de Rosario. Facultad de Cs.medicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Ferretti, Jose Luis. Universidad Nacional de Rosario. Facultad de Cs.medicas. Centro de Est.de Metabolismo Fosfocalcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rittweger, J.. German Space Center. Institute of Aerospace Medicine; AlemaniaFil: Capozza, Ricardo Francisco. Universidad Nacional de Rosario. Facultad de Cs.medicas. Centro de Est.de Metabolismo Fosfocalcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentin

pQCT-assessed relationships between diaphyseal design and cortical bone mass and density in the tibiae of healthy sedentary and trained men and women

In a pQCT study of running-trained and untrained men and women we had shown that bone mass distribution along the tibia was adapted to the usage-derived stress pattern. To study the possible association between the efficiency of diaphyseal design and bone material stiffness, we extend the analysis of the same sample to correlate pQCT indicators of the distribution (CSMIs), mass (BMC), and density (vBMD) of cortical bone tissue as descriptors of “distribution/mass” (d/m) or “distribution/quality” (d/q) relationships. The d/m and d/c curves followed positive (exponential) and negative (hyperbolic-like) equations, respectively. Distribution curves of r coefficients throughout the bone were all bell-shaped, reaching a maximum towards the mid-diaphysis. The CSMIs and BMC were higher, and vBMD was lower in men than women and in runners than non-runners. The d/m relationships were described by unique curves for all groups while d/q relationships were better adjusted to separate curves for men and women. Results support that: 1. diaphyseal design reflects the relative influence of bending/torsion stress along the bones, tending to minimize bone mass; 2. there is a trade-off between cortical bone “quality” and distribution; 3. d/m and d/q relationships are related to bone mechanical environment, and 4. d/q relationships are affected by sex.Fil: Capozza, Ricardo Francisco. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Centro de Estudios de Metabolismo Fosfocálcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rittweger, J.. German Aerospace Center ; AlemaniaFil: Reina, Paola Soledad. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Centro de Estudios de Metabolismo Fosfocálcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Mortarino, P.. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Centro de Estudios de Metabolismo Fosfocálcico; ArgentinaFil: Nocciolino, Laura Marcela. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Centro de Estudios de Metabolismo Fosfocálcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Feldman, Sara. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Laboratorio de Biología Osteoarticular, Ingeniería Tisular y Terapias Emergentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Ferretti, Jose Luis. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Centro de Estudios de Metabolismo Fosfocálcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Cointry, Gustavo Roberto. Universidad Nacional de Rosario. Facultad de Ciencias Médicas. Centro de Estudios de Metabolismo Fosfocálcico; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentin

Utilizing a single atom magnet and oscillating electric fields to coherently drive magnetic resonance in single atoms

Scanning tunneling microscopes (STM) equipped with pulsed electron spin resonance (ESR) have paved a way to coherently control individual atomic and molecular spins on surfaces. A recent breakthrough was to drive ESR of a spin outside the tunnel junction by locating a single atom magnet in proximity to a qubit, composing a 'spin-magnet pair'. Here we present a combined experimental and model study on the ESR driving mechanism in such a spin-magnet pair. Pulsed ESR of a single hydrogenated Ti atom on MgO with an Fe atom located between 6 and 8 {\AA} away showed a non-vanishing Rabi rate even when the tip is substantially retracted, comparable in strength with that driven by the interaction with the tip's magnetic moment under normal tunnel conditions. We reveal that this ESR driving field is contributed by Fe through the spin-spin interaction in the pair and show its tunability using a vector magnetic field. The spin-magnet pair therefore expands ESR-STM to address and coherently control on-surface atomic and molecular spins independent of the tip's magnetic apex. Together with existing atom manipulation techniques in STM, our study establishes a feasible method to design spin-based multi-qubit systems on surfaces

Neurophysiological Effects of Sleep Deprivation in Healthy Adults, a Pilot Study

textabstractTotal sleep deprivation (TSD) may induce fatigue, neurocognitive slowing and mood changes, which are partly compensated by stress regulating brain systems, resulting in altered dopamine and cortisol levels in order to stay awake if needed. These systems, however, have never been studied in concert. At baseline, after a regular night of sleep, and the next morning after TSD, 12 healthy subjects performed a semantic affective classification functional magnetic resonance imaging (fMRI) task, followed by a [11C]raclopride positron emission tomography (PET) scan. Saliva cortisol levels were acquired at 7 time points during both days. Affective symptoms were measured using Beck Depression Inventory (BDI), Spielberger State Trait Anxiety Index (STAI) and visual analogue scales. After TSD, perceived energy levels, concentration, and speed of thought decreased significantly, whereas mood did not. During fMRI, response speed decreased for neutral words and positive targets, and accuracy decreased trendwise for neutral words and for positive targets with a negative distracter. Following TSD, processing of positive words was associated with increased left dorsolateral prefrontal activation. Processing of emotional words in general was associated with increased insular activity, whereas contrasting positive vs. negative words showed subthreshold increased activation in the (para)hippocampal area. Cortisol secretion was significantly lower after TSD. Decreased voxel-by-voxel [11 C]raclopride binding potential (BPND) was observed in left caudate. TSD induces widespread cognitive, neurophysiologic and endocrine changes in healthy adults, characterized by reduced cognitive functioning, despite increased regional brain activity. The blunted HPA-axis response together with altered [11C]raclopride binding in the basal ganglia indicate that sustained wakefulness requires involvement of additional adaptive biological systems

Imaging dark matter at the smallest scales with z ≈ 1 lensed stars

Recent observations of caustic-crossing galaxies at redshift 0.7 . z . 1 show a wealth of transient events. Most of them are believed to be microlensing events of highly magnified stars. Earlier work predicts such events should be common near the critical curves (CCs) of galaxy clusters (“near region”), but some are found relatively far away from these CCs (“far region”). We consider the possibility that substructure on milliarcsecond scales (few parsecs in the lens plane) is boosting the microlensing signal in the far region. We study the combined magnification from the macrolens, millilenses, and microlenses (“3M lensing”), when the macromodel magnification is relatively low (common in the far region). After considering realistic populations of millilenses and microlenses, we conclude that the enhanced microlensing rate around millilenses is not sufficient to explain the high fraction of observed events in the far region. Instead, we find that the shape of the luminosity function (LF) of the lensed stars combined with the amount of substructure in the lens plane determines the number of microlensing events found near and far from the CC. By measuring β (the exponent of the adopted power law LF, dN/dL = φ(L) ∝ (1/L)β), and the number density of microlensing events at each location, one can create a pseudoimage of the underlying distribution of mass on small scales. We identify two regimes: (i) positive-imaging regime where β &gt; 2 and the number density of events is greater around substructures, and (ii) negative-imaging regime where β &lt; 2 and the number density of microlensing events is reduced around substructures. This technique opens a new window to map the distribution of dark-matter substructure down to ∼103 M . We study the particular case of seven microlensing events found in the Flashlights program in the Dragon arc (z = 0.725). A population of supergiant stars having a steep LF with β = 2.55+−007256 fits the distribution of these events in the far and near regions. We also find that the new microlensing events from JWST observations in this arc imply a surface mass density substructure of Σ∗ = 54 M pc−2, consistent with the expected population of stars from the intracluster medium. We identify a small region of high density of microlensing events, and interpret it as evidence of a possible invisible substructure, for which we derive a mass of ∼1.3 × 108 M (within its Einstein radius) in the galaxy cluster