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This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells or shoulders, analyzed in both one-dimensional (1D) and three-dimensional (3D) systems. Comparing these dimensionalities highlights the effect of confinement on structural transitions. Exact results are derived for 1D systems, while the rational function approximation is used for unconfined 3D fluids. Both scenarios confirm that when the steps are repulsive, the wavelength of the oscillatory decay of the total correlation function evolves with temperature either continuously or discontinuously. In the latter case, a discontinuous oscillation crossover line emerges in the temperature-density plane. For an attractive first step and a repulsive second step, a Fisher-Widom line appears. Although the 1D and 3D results share common features, dimensionality introduces differences: these behaviors occur in distinct temperature ranges, require deeper wells, or become attenuated in 3D. Certain features observed in 1D may vanish in 3D. We conclude that fluids with competing interactions exhibit a rich and intricate pattern of structural transitions, demonstrating the significant influence of dimensionality and interaction features.

Zeolites containing Rh single sites stabilized by phosphorous were prepared through a one-pot synthesis method and are shown to have superior activity and selectivity for ethylene hydroformylation at low temperature (50 °C). Catalytic activity is ascribed to confined Rh 2 O 3 clusters in the zeolite which evolve under reaction conditions into single Rh 3+ sites. These Rh 3+ sites are effectively stabilized in a Rh-(O)-P structure by using tetraethylphosphonium hydroxide as a template, which generates in situ phosphate species after H 2 activation. In contrast to Rh 2 O 3 , confined Rh 0 clusters appear less active in propanal production and ultimately transform into Rh(I)(CO) 2 under similar reaction conditions. As a result, we show that it is possible to reduce the temperature of ethylene hydroformylation with a solid catalyst down to 50 °C, with good activity and high selectivity, by controlling the electronic and morphological properties of Rh species and the reaction conditions., (© 2023. The Author(s).)

The generation of methane fuel using surplus renewable energy with CO 2 as the carbon source enables both the decarbonization and substitution of fossil fuel feedstocks. However, high temperatures are usually required for the efficient activation of CO 2 . Here we present a solid catalyst synthesized using a mild, green hydrothermal synthesis that involves interstitial carbon doped into ruthenium oxide, which enables the stabilization of Ru cations in a low oxidation state and a ruthenium oxycarbonate phase to form. The catalyst shows an activity and selectivity for the conversion of CO 2 into methane at lower temperatures than those of conventional catalysts, with an excellent long-term stability. Furthermore, this catalyst is able to operate under intermittent power supply conditions, which couples very well with electricity production systems based on renewable energies. The structure of the catalyst and the nature of the ruthenium species were acutely characterized by combining advanced imaging and spectroscopic tools at the macro and atomic scales, which highlighted the low-oxidation-state Ru sites (Ru n+ , 0 < n < 4) as responsible for the high catalytic activity. This catalyst suggests alternative perspectives for materials design using interstitial dopants., (© 2023. The Author(s), under exclusive licence to Springer Nature Limited.)

An analysis of the direct correlation functions c&#95;{ij}(r) of binary additive hard-sphere mixtures of diameters σ&#95;{s} and σ&#95;{b} (where the subscripts s and b refer to the "small" and "big" spheres, respectively), as obtained with the rational-function approximation method and the WM scheme introduced in previous work [S. Pieprzyk et al., Phys. Rev. E 101, 012117 (2020)2470-004510.1103/PhysRevE.101.012117], is performed. The results indicate that the functions c&#95;{ss}(r<σ&#95;{s}) and c&#95;{bb}(r<σ&#95;{b}) in both approaches are monotonic and can be well represented by a low-order polynomial, while the function c&#95;{sb}(r<1/2(σ&#95;{b}+σ&#95;{s})) is not monotonic and exhibits a well-defined minimum near r=1/2(σ&#95;{b}-σ&#95;{s}), whose properties are studied in detail. Additionally, we show that the second derivative c&#95;{sb}^{''}(r) presents a jump discontinuity at r=1/2(σ&#95;{b}-σ&#95;{s}) whose magnitude satisfies the same relationship with the contact values of the radial distribution function as in the Percus-Yevick theory.

The structural properties of additive binary hard-sphere mixtures are addressed as a follow-up of a previous paper [S. Pieprzyk et al., Phys. Rev. E 101, 012117 (2020)]2470-004510.1103/PhysRevE.101.012117. The so-called rational-function approximation method and an approach combining accurate molecular dynamics simulation data, the pole structure representation of the total correlation functions, and the Ornstein-Zernike equation are considered. The density, composition, and size-ratio dependencies of the leading poles of the Fourier transforms of the total correlation functions h&#95;{ij}(r) of such mixtures are presented, those poles accounting for the asymptotic decay of h&#95;{ij}(r) for large r. Structural crossovers, in which the asymptotic wavelength of the oscillations of the total correlation functions changes discontinuously, are investigated. The behavior of the structural crossover lines as the size ratio and densities of the two species are changed is also discussed.

An approach to obtain the structural properties of additive binary hard-sphere mixtures is presented. Such an approach, which is a nontrivial generalization of the one recently used for monocomponent hard-sphere fluids [S. Pieprzyk, A. C. Brańka, and D. M. Heyes, Phys. Rev. E 95, 062104 (2017)2470-004510.1103/PhysRevE.95.062104], combines accurate molecular-dynamics simulation data, the pole structure representation of the total correlation functions, and the Ornstein-Zernike equation. A comparison of the direct correlation functions obtained with the present scheme with those derived from theoretical results stemming from the Percus-Yevick (PY) closure and the so-called rational-function approximation (RFA) is performed. The density dependence of the leading poles of the Fourier transforms of the total correlation functions and the decay of the pair correlation functions of the mixtures are also addressed and compared to the predictions of the two theoretical approximations. A very good overall agreement between the results of the present scheme and those of the RFA is found, thus suggesting that the latter (which is an improvement over the PY approximation) can safely be used to predict reasonably well the long-range behavior, including the structural crossover, of the correlation functions of additive binary hard-sphere mixtures.

Introduction: New imaging studies have appeared in recent years for the diagnosis and follow-up of metastatic urological tumours., Material and Methods: A total of 41 patients were reviewed with suspected recurrence of a urothelial or kidney tumour, analysing the diagnostic performance of PET-CT scans undertaken between 2013 and 2016., Results: We collected 17 urothelial tumours and 24 renal tumours, with a median follow-up of 30 months. A total of 39.3% of the urothelial tumours were high grade and 29.3% of the kidney tumours were clear cell Fuhrman II. As a whole, the imaging studies detected recurrences in 34 patients. CT was positive in 83% of the patients, while the PET scan was positive in 75.6%, CT/PET coincidence was 50%. The PET scan detected further disease in 41% of the cases compared to 5% by CT. This resulted in a change of therapeutic strategy in 40% of the patients. Sensitivity, specificity, positive predictive value and negative predictive value for the CT and the PET scans were 92% and 92%, 57% and 100%, 92% and 100%, and 57% and 70% respectively., Conclusion: The PET scan showed similar sensitivity for urological tumours to the standard imaging techniques but with higher specificity, positive predictive value and negative predictive value. This led to a change in treatment strategy for 40% of the patients in our series. The PET scan will probably become the standard test in the extension and follow-up studies of most urological tumours., (Copyright © 2018 AEU. Publicado por Elsevier España, S.L.U. All rights reserved.)

The structural properties of the Jagla fluid are studied by Monte Carlo (MC) simulations, numerical solutions of integral equation theories, and the (semi-analytical) rational-function approximation (RFA) method. In the latter case, the results are obtained from the assumption (supported by our MC simulations) that the Jagla potential and a potential with a hard core plus an appropriate piecewise constant function lead to practically the same cavity function. The predictions obtained for the radial distribution function, g(r), from this approach are compared against MC simulations and integral equations for the Jagla model, and also for the limiting cases of the triangle-well potential and the ramp potential, with a general good agreement. The analytical form of the RFA in Laplace space allows us to describe the asymptotic behavior of g(r) in a clean way and compare it with MC simulations for representative states with oscillatory or monotonic decay. The RFA predictions for the Fisher-Widom and Widom lines of the Jagla fluid are obtained.

The urinary incontinence is a highly prevalent symptom in the adult female population. It has important psychosocial and economic connotations, and affects the quality of life of these patients. As it is an under-diagnosed problem due to patients not always consulting for it, it is very important to keep this in mind and to provide an opportunistic screening from Primary Health Care. It is difficult to determine the costs of this, but it is estimated to be the 2% of the health budget. Because of all of this, it is very important to know how to make a correct diagnose of this condition, to determine the different types of incontinence, possible causes, and treatments available. The purpose of this review is to show the different diagnostic and therapeutic tools available, to show the Primary Health Care role in this condition, and when to refer to specialist care., (Copyright © 2017 Sociedad Española de Médicos de Atención Primaria (SEMERGEN). Publicado por Elsevier España, S.L.U. All rights reserved.)

Objective: To assess the efficacy of treatment with transcutaneous posterior tibial nerve stimulation (TPTNS) in patients with urge urinary incontinence, of neurogenic or nonneurogenic origin, refractory to first-line therapeutic options., Material and Methods: We included 65 patients with urge urinary incontinence refractory to medical treatment. A case history review, a urodynamic study and a somatosensory evoked potentials (SEP) study were conducted before the TPTNS, studying the functional urological condition by means of a voiding diary. The treatment consisted of 10 weekly sessions of TPTNS lasting 30minutes., Results: Some 57.7% of the patients showed abnormal tibial SEPs, and 42% showed abnormal pudendal SEPs. A statistically significant symptomatic improvement was observed in all clinical parameters after treatment with TPTNS, and 66% of the patients showed an overall improvement, regardless of sex, the presence of underlying neurological disorders, detrusor hyperactivity in the urodynamic study or SEP disorders. There were no adverse effects during the treatment., Conclusions: TPTNS is an effective and well tolerated treatment in patients with urge incontinence refractory to first-line therapies and should be offered early in the treatment strategy. New studies are needed to identify the optimal parameters of stimulation, the most effective treatment protocols and long-term efficacy, as well as its applicability to patients with a neurogenic substrate., (Copyright © 2017 AEU. Publicado por Elsevier España, S.L.U. All rights reserved.)

Objective: To analyze the expression of metalloprotein 11 (MMP11) in cultured fibroblasts obtained from human prostate tumors with different clinical and pathological characteristics., Material and Methods: For this study we analyzed samples of transrectal prostate biopsies from tumors with different characteristics, treated with or whithout androgen deprivation (AD). After optimization of the culture method, fibroblasts were isolated and cultured to perform the study (PCR) of MMP11 mRNA., Results: Finally, 37 cases were studied: 5 samples of benign prostatic hyperplasia, 14 cases with localized neoplasms (7 high-risk according to the D'Amico classification), 5 with metastasic tumors (bone metastases), and 13 treated with AD therapy, of which 6 fulfilled the requirements to be defined as resistant to castration. In tumors without AD therapy, MMP11 expression was significantly higher (P=.001) in fibroblasts of higher grade tumors. A significant (P=.001) correlation was found between PSA and expression of MMP11 in fibroblast s and a significant increase of MMP11 expression in metastatic tumors. In tumors with AD therapy, a significantly greater expression of MMP11 was observed in resistant to castration patients than in those sensitive to castration (P=.003)., Conclusion: In advanced prostate tumors or in stages of increased tumor aggressiveness, the production of MMP11 by fibroblasts is significantly greater than in non-metastatic tumors or in AD sensitive tumors., (Copyright © 2016 AEU. Publicado por Elsevier España, S.L.U. All rights reserved.)

Analytic approximations for the radial distribution function, the structure factor, and the equation of state of hard-core fluids in fractal dimension d (1≤d≤3) are developed as heuristic interpolations from the knowledge of the exact and Percus-Yevick results for the hard-rod and hard-sphere fluids, respectively. In order to assess their value, such approximate results are compared with those of recent Monte Carlo simulations and numerical solutions of the Percus-Yevick equation for a fractal dimension [M. Heinen et al., Phys. Rev. Lett. 115, 097801 (2015)PRLTAO0031-900710.1103/PhysRevLett.115.097801], a good agreement being observed.

The structural properties of fluids whose molecules interact via potentials with a hard core plus two piece-wise constant sections of different widths and heights are presented. These follow from the more general development previously introduced for potentials with a hard core plus n piece-wise constant sections [A. Santos, S. B. Yuste, and M. Lopez de Haro, Condens. Matter Phys. 15, 23602 (2012)] in which use was made of a semi-analytic rational-function approximation method. The results of illustrative cases comprising eight different combinations of wells and shoulders are compared both with simulation data and with those that follow from the numerical solution of the Percus-Yevick and hypernetted-chain integral equations. It is found that the rational-function approximation generally predicts a more accurate radial distribution function than the Percus-Yevick theory and is comparable or even superior to the hypernetted-chain theory. This superiority over both integral equation theories is lost, however, at high densities, especially as the widths of the wells and/or the barriers increase.

A possible approximate route to obtain the equation of state of the monodisperse hard-sphere system in the metastable fluid region from the knowledge of the equation of state of a hard-sphere mixture at high densities is discussed. The proposal is illustrated by using recent Monte Carlo simulation data for the pressure of a binary mixture. It is further shown to exhibit high internal consistency., (© 2011 American Institute of Physics)

The question of whether the known virial coefficients are enough to determine the packing fraction η(∞) at which the fluid equation of state of a hard-sphere fluid diverges is addressed. It is found that the information derived from the direct Padé approximants to the compressibility factor constructed with the virial coefficients is inconclusive. An alternative approach is proposed which makes use of the same virial coefficients and of the equation of state in a form where the packing fraction is explicitly given as a function of the pressure. The results of this approach both for hard-disk and hard-sphere fluids, which can straightforwardly accommodate higher virial coefficients when available, lends support to the conjecture that η(∞) is equal to the maximum packing fraction corresponding to an ordered crystalline structure.

A restricted dynamics, previously introduced in a kinetic model for relaxation phenomena in linear polymer chains, is used to study the dynamic critical exponent of one-dimensional Ising models. Both an alternating isotopic chain and an alternating-bond chain are considered. In contrast with what occurs for Glauber dynamics, in these two models the dynamic critical exponent turns out to be the same. The alternating isotopic chain with the restricted dynamics is shown to lead to Nagel scaling for temperatures above some critical value. Further support is given relating the Nagel scaling to the existence of multiple (simultaneous) relaxation processes, the dynamics apparently not playing the most important role in determining such scaling.