103 research outputs found
Nm23 expression in endometrial and cervical cancer: inverse correlation with lymph node involvement and myometrial invasion.
The expression of nm23 has been shown to correlate in some solid tumours with their metastatic potential and to be associated with a favourable prognosis in human breast cancer and melanoma. In breast and ovarian cancer nm23 expression is also correlated with lymph node involvement. We analysed the expression of nm23-H1 and -H2 in normal endometrium and in endometrial and cervical cancer by both Northern and Western blotting. Cellular localisation of Nm23-H1 was visualised by immunohistochemistry mostly in the cytoplasm. Both isoforms of Nm23 were present in all the samples analysed, and a clear direct correlation between Nm23-H1 and -H2 levels was evident. Median nm23-H2 levels were higher than than -H1 levels in both tissues. Cervical cancer patients with lymph node involvement were shown to have significantly lower protein levels of Nm23 (P < 0.007 for H1 and P < 0.009 for H2), and a similar trend was also evident in endometrial cancer. Furthermore, the degree of myometrial invasion in endometrial cancer patients was also inversely correlated with Nm23-H1 levels of expression (P < 0.003). Nm23 level may therefore be taken into consideration as a new marker in the prognostic characterisation and in the treatment planning of uterine tumour patients
Vitamin D effects on bone homeostasis and cardiovascular system in patients with chronic kidney disease and renal transplant recipients
Poor vitamin D status is common in patients with impaired renal function and represents one main component of the complex scenario of chronic kidney diseaseâmineral and bone disorder (CKDâMBD). Therapeutic and dietary efforts to limit the consequences of uremia-associated vitamin D deficiency are a current hot topic for researchers and clinicians in the nephrology area. Evidence indicates that the low levels of vitamin D in patients with CKD stage above 4 (GFR < 15 mL/min) have a multifactorial origin, mainly related to uremic malnutrition, namely impaired gastrointestinal absorption, dietary restrictions (low-protein and low-phosphate diets), and proteinuria. This condi-tion is further worsened by the compromised response of CKD patients to high-dose cholecalciferol supplementation due to the defective activation of renal hydroxylation of vitamin D. Currently, the literature lacks large and interventional studies on the so-called non-calcemic activities of vitamin D and, above all, the modulation of renal and cardiovascular functions and immune response. Here, we review the current state of the art of the benefits of supplementation with native vitamin D in various clinical settings of nephrological interest: CKD, dialysis, and renal transplant, with a special focus on the effects on bone homeostasis and cardiovascular outcomes
Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities
A force field for perfluoropolyethers (PFPEs) based on the
general optimized potentials for liquid simulations all-atom (OPLS-AA) force
field has been derived in conjunction with experiments and ab initio quantum
mechanical calculations. Vapor pressures and densities of two liquid PFPEs,
perfluorodiglyme (CF3âOâ(CF2âCF2âO)2âCF3) and perfluorotriglyme
(CF3âOâ(CF2âCF2âO)3âCF3), have been measured experimentally to
validate the force field and increase our understanding of the physical
properties of PFPEs. Force field parameters build upon those for related
molecules (e.g., ethers and perfluoroalkanes) in the OPLS-AA force field, with
new parameters introduced for interactions specific to PFPEs. Molecular
dynamics simulations using the new force field demonstrate excellent
agreement with ab initio calculations at the RHF/6-31G* level for gas-phase
torsional energies (<0.5 kcal molâ1 error) and molecular structures for several
PFPEs, and also accurately reproduce experimentally determined densities (<0.02 g cmâ3 error) and enthalpies of vaporization
derived from experimental vapor pressures (<0.3 kcal molâ1). Additional comparisons between experiment and simulation show
that polyethers demonstrate a significant decrease in enthalpy of vaporization upon fluorination unlike related molecules (e.g.,
alkanes and alcohols). Simulation suggests this phenomenon is a result of reduced cohesion in liquid PFPEs due to a reduction in
localized associations between backbone oxygen atoms and neighboring molecules
Large-Scale Atomistic Simulations of Environmental Effects on the Formation and Properties of Molecular Junctions
Using an updated simulation tool, we examine molecular junctions comprised of
benzene-1,4-dithiolate bonded between gold nanotips, focusing on the importance
of environmental factors and inter-electrode distance on the formation and
structure of bridged molecules. We investigate the complex relationship between
monolayer density and tip separation, finding that the formation of
multi-molecule junctions is favored at low monolayer density, while
single-molecule junctions are favored at high density. We demonstrate that tip
geometry and monolayer interactions, two factors that are often neglected in
simulation, affect the bonding geometry and tilt angle of bridged molecules. We
further show that the structures of bridged molecules at 298 and 77 K are
similar.Comment: To appear in ACS Nano, 30 pages, 5 figure
Complex crystal structures formed by the self assembly of di-tethered nanospheres
We report the results from a computational study of the self-assembly of
amphiphilic di-tethered nanospheres using molecular simulation. As a function
of the interaction strength and directionality of the tether-tether
interactions, we predict the formation of four highly ordered phases not
previously reported for nanoparticle systems. We find a double diamond
structure comprised of a zincblende (binary diamond) arrangement of spherical
micelles with a complementary diamond network of nanoparticles (ZnS/D); a phase
of alternating spherical micelles in a NaCl structure with a complementary
simple cubic network of nanoparticles to form an overall crystal structure
identical to that of AlCu_2Mn (NaCl/SC); an alternating tetragonal ordered
cylinder phase with a tetragonal mesh of nanoparticles described by the [8,8,4]
Archimedean tiling (TC/T); and an alternating diamond phase in which both
diamond networks are formed by the tethers (AD) within a nanoparticle matrix.
We compare these structures with those observed in linear and star triblock
copolymer systems
Review of the development of cesium iodide photocathodes for application to large RICH detectors
CsI photocathodes were studied in order to evaluate their potential use as large photo converters in RICH detectors for the PID system of ALICE at LHC in heavy-ion collider mode. It has been demonstrated that a quantum efficiency close to the reference value obtained on small samples can be obtained on CsI layers evaporated on large pad electrodes operated in a MWPC at atmospheric pressure. We present a survey of the results obtained in the laboratory on small samples irradiated with UV-monochromatic beams and with large area RICH detectors of proximity-focusing geometry in a 3 GeV/c pion beam
The Influence of Molecular Adsorption on Elongating Gold Nanowires
Using molecular dynamics simulations, we study the impact of physisorbing
adsorbates on the structural and mechanical evolution of gold nanowires (AuNWs)
undergoing elongation. We used various adsorbate models in our simulations,
with each model giving rise to a different surface coverage and mobility of the
adsorbed phase. We find that the local structure and mobility of the adsorbed
phase remains relatively uniform across all segments of an elongating AuNW,
except for the thinning region of the wire where the high mobility of Au atoms
disrupts the monolayer structure, giving rise to higher solvent mobility. We
analyzed the AuNW trajectories by measuring the ductile elongation of the wires
and detecting the presence of characteristic structural motifs that appeared
during elongation. Our findings indicate that adsorbates facilitate the
formation of high-energy structural motifs and lead to significantly higher
ductile elongations. In particular, our simulations result in a large number of
monatomic chains and helical structures possessing mechanical stability in
excess of what we observe in vacuum. Conversely, we find that a molecular
species that interacts weakly (i.e., does not adsorb) with AuNWs worsens the
mechanical stability of monatomic chains.Comment: To appear in Journal of Physical Chemistry
Discovering privileged topologies of molecular knots with self-assembling models
Despite the several available strategies to build complex supramolecular constructs, only a handful of different molecular knots have been synthesised so far. Here, in response to the quest for further designable topologies, we use Monte Carlo sampling and molecular dynamics simulations, informed by general principles of supramolecular assembly, as a discovery tool for thermodynamically and kinetically accessible knot types made of helical templates. By combining this approach with the exhaustive enumeration of molecular braiding patterns applicable to more general template geometries, we find that only few selected shapes have the closed, symmetric and quasi-planar character typical of synthetic knots. The corresponding collection of admissible topologies is extremely restricted. It covers all known molecular knots but it especially includes a limited set of novel complex ones that have not yet been obtained experimentally, such as 10124 and 15n41185, making them privileged targets for future self-assembling experiments
Centering inclusivity in the design of online conferences: An OHBM-Open Science perspective
As the global health crisis unfolded, many academic conferences moved online in 2020. This move has been hailed as a positive step towards inclusivity in its attenuation of economic, physical, and legal barriers and effectively enabled many individuals from groups that have traditionally been underrepresented to join and participate. A number of studies have outlined how moving online made it possible to gather a more global community and has increased opportunities for individuals with various constraints, e.g., caregiving responsibilities. Yet, the mere existence of online conferences is no guarantee that everyone can attend and participate meaningfully. In fact, many elements of an online conference are still significant barriers to truly diverse participation: the tools used can be inaccessible for some individuals; the scheduling choices can favour some geographical locations; the set-up of the conference can provide more visibility to well-established researchers and reduce opportunities for early-career researchers. While acknowledging the benefits of an online setting, especially for individuals who have traditionally been underrepresented or excluded, we recognize that fostering social justice requires inclusivity to actively be centered in every aspect of online conference design. Here, we draw from the literature and from our own experiences to identify practices that purposefully encourage a diverse community to attend, participate in, and lead online conferences. Reflecting on how to design more inclusive online events is especially important as multiple scientific organizations have announced that they will continue offering an online version of their event when in-person conferences can resume
Association of kidney disease measures with risk of renal function worsening in patients with type 1 diabetes
Background: Albuminuria has been classically considered a marker of kidney damage progression in diabetic patients and it is routinely assessed to monitor kidney function. However, the role of a mild GFR reduction on the development of stage 653 CKD has been less explored in type 1 diabetes mellitus (T1DM) patients. Aim of the present study was to evaluate the prognostic role of kidney disease measures, namely albuminuria and reduced GFR, on the development of stage 653 CKD in a large cohort of patients affected by T1DM. Methods: A total of 4284 patients affected by T1DM followed-up at 76 diabetes centers participating to the Italian Association of Clinical Diabetologists (Associazione Medici Diabetologi, AMD) initiative constitutes the study population. Urinary albumin excretion (ACR) and estimated GFR (eGFR) were retrieved and analyzed. The incidence of stage 653 CKD (eGFR < 60 mL/min/1.73 m2) or eGFR reduction > 30% from baseline was evaluated. Results: The mean estimated GFR was 98 \ub1 17 mL/min/1.73m2 and the proportion of patients with albuminuria was 15.3% (n = 654) at baseline. About 8% (n = 337) of patients developed one of the two renal endpoints during the 4-year follow-up period. Age, albuminuria (micro or macro) and baseline eGFR < 90 ml/min/m2 were independent risk factors for stage 653 CKD and renal function worsening. When compared to patients with eGFR > 90 ml/min/1.73m2 and normoalbuminuria, those with albuminuria at baseline had a 1.69 greater risk of reaching stage 3 CKD, while patients with mild eGFR reduction (i.e. eGFR between 90 and 60 mL/min/1.73 m2) show a 3.81 greater risk that rose to 8.24 for those patients with albuminuria and mild eGFR reduction at baseline. Conclusions: Albuminuria and eGFR reduction represent independent risk factors for incident stage 653 CKD in T1DM patients. The simultaneous occurrence of reduced eGFR and albuminuria have a synergistic effect on renal function worsening
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