Diversity, Complexity, and Specificity of Bacterial Lipopolysaccharide (LPS) Structures Impacting Their Detection and Quantification.

Endotoxins are toxic lipopolysaccharides (LPSs), extending from the outer membrane of Gram-negative bacteria and notorious for their toxicity and deleterious effects. The comparison of different LPSs, isolated from various Gram-negative bacteria, shows a global similar architecture corresponding to a glycolipid lipid A moiety, a core oligosaccharide, and outermost long O-chain polysaccharides with molecular weights from 2 to 20 kDa. LPSs display high diversity and specificity among genera and species, and each bacterium contains a unique set of LPS structures, constituting its protective external barrier. Some LPSs are not toxic due to their particular structures. Different, well-characterized, and highly purified LPSs were used in this work to determine endotoxin detection rules and identify their impact on the host. Endotoxin detection is a major task to ensure the safety of human health, especially in the pharma and food sectors. Here, we describe the impact of different LPS structures obtained under different bacterial growth conditions on selective LPS detection methods such as LAL, HEK-blue TLR-4, LC-MS2, and MALDI-MS. In these various assays, LPSs were shown to respond differently, mainly attributable to their lipid A structures, their fatty acid numbers and chain lengths, the presence of phosphate groups, and their possible substitutions.

Controlled electroactive release from solid-state conductive elastomer electrodes.

This work highlights the development of a conductive elastomer (CE) based electrophoretic platform that enables the transfer of charged molecules from a solid-state CE electrode directly to targeted tissues. Using an elastomer-based electrode containing poly (3,4-ethylenedioxythiophene) nanowires, controlled electrophoretic delivery of methylene blue (MB) and fluorescein (FLSC) was achieved with applied voltage. Electroactive release of positively charged MB and negatively charged FLSC achieved 33.19 ± 6.47 µg release of MB and 22.36 ± 3.05 µg release of FLSC, a 24 and 20-fold increase in comparison to inhibitory voltages over 1 h. Additionally, selective, and sequential release of the two oppositely charged molecules from a single CE device was demonstrated, showing the potential of this device to be used in multi-drug treatments.

Emission Enhancement of Ge/Si Quantum Dots in Hybrid Structures with Subwavelength Lattice of Al Nanodisks.

The effects of resonance interaction of plasmonic and photonic modes in hybrid metal-dielectric structures with square Al nanodisk lattices coupled with a Si waveguide layer were investigated using micro-photoluminescence (micro-PL) spectroscopy. As radiation sources, GeSi quantum dots were embedded in the waveguide. A set of narrow PL peaks superimposed on the broad bands were observed in the range of quantum dot emissions. At optimal parameters of Al nanodisks lattices, almost one order increasing of PL intensity was obtained. The experimental PL spectra are in good agreement with results of theoretical calculations. The realization of high-quality bound states in the continuum was confirmed by a comparative analysis of the experimental spectra and theoretical dispersion dependences. The results demonstrated the perspectives of these type structures for a flat band realization and supporting the slow light.

A TLR4 Agonist Induces Osteosarcoma Regression by Inducing an Antitumor Immune Response and Reprogramming M2 Macrophages to M1 Macrophages.

Osteosarcoma (OsA) has limited treatment options and stagnant 5-year survival rates. Its immune microenvironment is characterized by a predominance of tumor-associated macrophages (TAMs), whose role in OsA progression remain unclear. Nevertheless, immunotherapies aiming to modulate macrophages activation and polarization could be of interest for OsA treatment. In this study, the antitumor effect of a liposome-encapsulated chemically detoxified lipopolysaccharide (Lipo-MP-LPS) was evaluated as a therapeutic approach for OsA. Lipo-MP-LPS is a toll-like receptor 4 (TLR4) agonist sufficiently safe and soluble to be IV administered at effective doses. Lipo-MP-LPS exhibited a significant antitumor response, with tumor regression in 50% of treated animals and delayed tumor progression in the remaining 50%. The agent inhibited tumor growth by 75%, surpassing the efficacy of other immunotherapies tested in OsA. Lipo-MP-LPS modulated OsA's immune microenvironment by favoring the transition of M2 macrophages to M1 phenotype, creating a proinflammatory milieu and facilitating T-cell recruitment and antitumor immune response. Overall, the study demonstrates the potent antitumor effect of Lipo-MP-LPS as monotherapy in an OsA immunocompetent model. Reprogramming macrophages and altering the immune microenvironment likely contribute to the observed tumor control. These findings support the concept of immunomodulatory approaches for the treatment of highly resistant tumors like OsA.

Tuning the Luminescence Response of an Air-Hole Photonic Crystal Slab Using Etching Depth Variation.

Detailed studies of the luminescent properties of the Si-based 2D photonic crystal (PhC) slabs with air holes of various depths are reported. Ge self-assembled quantum dots served as an internal light source. It was obtained that changing the air hole depth is a powerful tool which allows tuning of the optical properties of the PhC. It was shown that increasing the depth of the holes in the PhC has complex influences on its overall photoluminescence (PL) response due to the simultaneous influences of counteracting factors. As a result, the maximal increase in the PL signal of more than two orders of magnitude was obtained for some intermediate, but not full, depth of the PhC's air holes. It was demonstrated that it is possible to engineer the PhC band structure in such a way as to construct specific states, namely bound states in continuum (BIC), with specially designed dispersion curves being relatively flat. In this case, such states manifest themselves as sharp peaks in the PL spectra, and have high Q-factors which are larger than those of radiative modes and other BIC modes without such a flat dispersion characteristic.

A systemically administered detoxified TLR4 agonist displays potent antitumor activity and an acceptable tolerance profile in preclinical models.

Bacterial lipopolysaccharides (LPS) are potent innate immunostimulants targeting the Toll-like receptor 4 (TLR4), an attractive and validated target for immunostimulation in cancer therapy. Although LPS possess anti-tumor activity, toxicity issues prevent their systemic administration at effective doses in humans. We first demonstrated that LPS formulated in liposomes preserved a potent antitumor activity per se upon systemic administration in syngeneic models, and significantly enhance the antitumor activity of the anti-CD20 antibody rituximab in mice xenografted with the human RL lymphoma model. Liposomal encapsulation also allowed a 2-fold reduction in the induction of pro-inflammatory cytokines by LPS. Mice receiving an intravenous administration demonstrated a significant increase of neutrophils, monocytes and macrophages at the tumor site as well as an increase of macrophages in spleen. Further, we chemically detoxified LPS to obtain MP-LPS that was associated with a 200-fold decrease in the induction of proinflammatory cytokines. When encapsulated in a clinically approved liposomal formulation, toxicity, notably pyrogenicity (10-fold), was limited while the antitumor activity and immunoadjuvant effect were maintained. This improved tolerance profile of liposomal MP-LPS was associated with the preferential activation of the TLR4-TRIF pathway. Finally, in vitro studies demonstrated that stimulation with encapsulated MP-LPS reversed the polarization of M2 macrophages towards an M1 phenotype, and a phase 1 trial in healthy dogs validated its tolerance upon systemic administration up to very high doses (10µg/kg). Altogether, our results demonstrate the strong therapeutic potential of MPLPS formulated in liposomes as a systemically active anticancer agent, supporting its evaluation in patients with cancer.

Interaction of Ge(Si) Self-Assembled Nanoislands with Different Modes of Two-Dimensional Photonic Crystal.

The interaction of Ge(Si)/SOI self-assembled nanoislands with modes of photonic crystal slabs (PCS) with a hexagonal lattice is studied in detail. Appropriate selection of the PCS parameters and conditions for collecting the photoluminescence (PL) signal allowed to distinguish the PCS modes of different physical nature, particularly the radiative modes and modes associated to the bound states in the continuum (BIC). It is shown that the radiative modes with relatively low Q-factors could provide a increase greater than an order of magnitude in the integrated PL intensity in the wavelength range of 1.3-1.55 µm compared to the area outside of PCS at room temperature. At the same time, the interaction of Ge(Si) islands emission with the BIC-related modes provides the peak PL intensity increase of more than two orders of magnitude. The experimentally measured Q-factor of the PL line associated with the symmetry-protected BIC mode reaches the value of 2600.

Cognitive Abilities and Academic Achievement as Intercultural Competence Predictors in Russian School Students.

The development of intercultural competence (ICC) is important for the modern personality in an unstable and diverse world, but there is a lack of research on this phenomenon in the context of age, gender and intellectual differences. The purpose of the present exploratory study is to identify relations between ICC, cognitive abilities and academic achievements among Russian school students. The sample included 106 (55% female) students in the 9th grade of Moscow secondary school. ICC was measured with the author's modification of The Intercultural Sensitivity Scale by Khuhlaev and Chibisova, developed on the basis of the Developmental Model of Intercultural Sensitivity by Bennett. Cognitive abilities were determined with the School Test of Intellectual Development by Akimova et al. Academic achievements were evaluated using GPA. The findings of our research show that: (1) higher academic achievements and cognitive abilities usually characterize schoolchildren, who are not inclined to absolutize cultural differences and do not consider them to be barriers to intercultural interaction; (2) the most significant predictors of ICC features from the studied cognitive abilities are analogy and generalization, but generalization has opposite impacts in male and female students. This fact should be taken into account in the context of ICC developments, especially in male school students prone to ethnocentrism.

Enucleation vs. vaporization of benign prostatic hyperplasia: a head-to-head comparison of the various outcomes and complications. A systematic review and meta-analysis.

INTRODUCTION: Vaporization of the prostate (VP) and endoscopic enucleation of the prostate (EEP) are reliable and frequently used methods for BPO relief. Both surgeries utilize lasers and EAU recommends them in similar patient cohorts. Our objective was to compare intra- and perioperative results of patients who had undergone VP and EEP. EVIDENCE ACQUISITION: A systematic literature search was performed in three databases (MEDLINE, Web of Science and Scopus). The detailed search strategy is available at Prospero, CRD42020204739. Primary outcomes were functional results (IPSS, QoL, PVR, Qmax), and secondary outcomes were intraoperative results, postoperative PSA and prostate volume, complications, and recurrence rate. EVIDENCE SYNTHESIS: VP required less operative time compared to EEP, mean difference -5.51 (95% CI -7.52; -3.50). IPSS and Qmax for VP were worse after 12-month follow-up, mean difference 0.89 (95% CI 0.52; 1.27) and -3.7 (95% CI -4.56; -2.85), respectively, while QoL did not differ significantly. Postoperative PSA level was higher in the VP group, mean difference 2.28 (95% CI 2.00; 2.55). VP was associated with reduced Clavien-Dindo grade I (OR=4.16; 95% CI 2.96; 5.84) and grade II (OR=3.79; 95% CI 2.25; 6.39) complication rate, especially in terms of the percentage of blood transfusion and transient urinary incontinence. The rate of complications grade IIIa and higher was similar (3-6%). Reoperation rate was only estimated in one study and was significantly higher in the PVP group at 60 months of follow-up, 2.7% vs. 0%, P<0.05. CONCLUSIONS: EEP and VP share the efficacy and safety in BPH management. Our meta-analysis shows comparable complication rate in Clavien-Dindo III, VP superiority in operation time, and EEP superiority in long-term functional outcomes and PSA reduction.

Study of Intra-Chamber Processes in Solid Rocket Motors by Fiber Optic Sensors.

In this study, an experimental study of the burning rate of solid fuel in a model solid propellant rocket motor (SRM) E-5-0 was conducted using a non-invasive control method with fiber-optic sensors (FOSs). Three sensors based on the Mach-Zehnder interferometer (MZI), fixed on the SRM E-5-0, recorded the vibration signal during the entire cycle of solid fuel burning. The results showed that, when using MZI sensors, the non-invasive control of solid fuel burnout is made possible both by recording the time of arrival of the combustion front to the sensor and by analyzing the peaks on the spectrogram of the recorded FOS signal. The main mode of acoustic vibrations of the chamber of the model SRM is longitudinal, and it changes with time, depending on the chamber length. Longitudinal modes of the combustion chamber were detected by MZI only after the combustion front passed its fixing point, and the microphone was unable to register them at all. The results showed that the combustion rate was practically constant after the first second, which was confirmed by the graph of the pressure versus time at the nozzle exit.

One-Stage Formation of Two-Dimensional Photonic Crystal and Spatially Ordered Arrays of Self-Assembled Ge(Si) Nanoislandson Pit-Patterned Silicon-On-Insulator Substrate.

A new approach to improve the light-emitting efficiency of Ge(Si) quantum dots (QDs) by the formation of an ordered array of QDs on a pit-patterned silicon-on-insulator (SOI) substrate is presented. This approach makes it possible to use the same pre-patterned substrate both for the growth of spatially ordered QDs and for the formation of photonic crystal (PhC) in which QDs are embedded. The periodic array of deep pits on the SOI substrate simultaneously serves as a template for spatially ordering of QDs and the basis for two-dimensional PhCs. As a result of theoretical and experimental studies, the main regularities of the QD nucleation on the pre-patterned surface with deep pits were revealed. The parameters of the pit-patterned substrate (the period of the location of the pits, the pit shape, and depth) providing a significant increase of the QD luminescence intensity due to the effective interaction of QD emission with the PhC modes are found.

Coupling of Germanium Quantum Dots with Collective Sub-radiant Modes of Silicon Nanopillar Arrays.

In this paper, we demonstrate the infrared photoluminescence emission from Ge(Si) quantum dots coupled with collective Mie modes of silicon nanopillars. We show that the excitation of band edge dipolar modes of a linear nanopillar array results in strong reshaping of the photoluminescence spectra. Among other collective modes, the magnetic dipolar mode with the polarization along the array axis contributes the most to the emission spectrum, exhibiting an experimentally measured Q-factor of around 500 for an array of 11 pillars. The results belong to the first experimental evidence of light emission enhancement of quantum emitters applying collective Mie resonances in finite nanoresonators and therefore represent an important contribution to the new field of active all-dielectric meta-optics.

Ethno-National Attitudes as Intercultural Competence Predictors in University Students: Gender Differences.

The search for predictors of intercultural competence (ICC) development is one of the important challenges of modern psychology in connection with globalization in all the spheres of modern life, including university education. The purpose of the present research is to show that the ethno-national attitudes (ENA), which Khukhlaev et al. consider as an individual's predisposition to assess the nationality/ethnicity can determine the severity of ICC features in male and female university students. The sample includes 219 (75% female) first-third year Russian university students. ICC was measured with the author's modification of the intercultural sensitivity scale (ISS) by Khuhlaev and Chibisova. ISS is based on the Developmental Model of Intercultural Sensitivity, (DMIS) by Bennett and includes 4 subscales: Minimization, Absolutization, Ambivalence, Acceptance. ENA (Nationalistic, Patriotic, Neutral, Negativistic) were determined with the "Scale of ethno-national attitudes" by Khukhlaev, Kuznetsov, and Tkachenko. Descriptive statistics methods, Wilcoxon W-test, and multiple regression analysis were used for statistical analysis in the R software environment, version 3.5.2. The findings of our research showed that Nationalistic and Patriotic ENA are the strongest predictors of studied ICC scales and have an opposite negative impact on Acceptance and Absolutization in both male and female students. This fact should be taken into account in the context of ICC developments.

Creativity and Personality Traits as Foreign Language Acquisition Predictors in University Linguistics Students.

Foreign (second) language (FL/SL) proficiency is one of the most important competencies for a modern person, and is necessary for both professional and personal fulfillment. The purpose of this study is to consider and compare personality traits and creativity as predictors of success in foreign language acquisition (FLA). The sample includes 128 (105 female and 23 male) first- and second-year university linguistics students. Creativity is measured by the Abbreviated Torrance Test for Adults (ATTA). The FFM personality traits are measured by the Russian NEO Five-Factor Inventory adaptation by S. Biryukov and M. Bodunov. To assess the level of FL proficiency, we used a traditional academic achievement indicator (the semester's final grades in English), as well as the English teachers' assessment of the level of language proficiency of their students according to the "Foreign Language Proficiency Scale" (10 indicators and total score). Descriptive statistics methods and a multiple regression analysis were used to process the data in the R software environment, version 3.5.2. The findings of our research showed that creativity indicators have a stronger but contradictory impact on the level of FL proficiency compared to personality traits. We suggest that teachers, most likely, lack knowledge on the manifestations of student creativity in the process of FL learning.

Regulation of waaH by PhoB during Pi Starvation Promotes Biofilm Formation by Escherichia coli O157:H7.

In open environments such as water, enterohemorrhagic Escherichia coli O157:H7 responds to inorganic phosphate (Pi) starvation by inducing the Pho regulon controlled by PhoB. This activates the phosphate-specific transport (Pst) system that contains a high-affinity Pi transporter. In the Δpst mutant, PhoB is constitutively activated and regulates the expression of genes in the Pho regulon. Here, we show that Pi starvation and deletion of the pst system enhance E. coli O157:H7 biofilm formation. Among differentially expressed genes of EDL933 grown under Pi starvation conditions and in the Δpst mutant, we have found that a member of the PhoB regulon, waaH, predicted to encode a glycosyltransferase, was highly expressed. Interestingly, WaaH contributed to biofilm formation of E. coli O157:H7 during both Pi starvation and in the Δpst mutant. In the Δpst mutant, the presence of waaH was associated with lipopolysaccharide (LPS) R3 core type modifications, whereas in E. coli O157:H7, waaH overexpression had no effect on LPS structure during Pi starvation. Therefore, waaH participates in E. coli O157:H7 biofilm formation during Pi starvation, but its biochemical role remains to be clarified. This study highlights the importance of the Pi starvation stress response to biofilm formation, which may contribute to the persistence of E. coli O157:H7 in the environment.IMPORTANCE Enterohemorrhagic Escherichia coli O157:H7 is a human pathogen that causes bloody diarrhea that can result in renal failure. Outside of mammalian hosts, E. coli O157:H7 survives for extended periods of time in nutrient-poor environments, likely as part of biofilms. In E. coli K-12, the levels of free extracellular Pi affect biofilm formation; however, it was unknown whether Pi influences biofilm formation by E. coli O157:H7. Our results show that upon Pi starvation, PhoB activates waaH expression, which favors biofilm formation by E. coli O157:H7. These findings suggest that WaaH is a target for controlling biofilm formation. Altogether, our work demonstrates how adaptation to Pi starvation allows E. coli O157:H7 to occupy different ecological niches.

Structure function relationships in three lipids A from the Ralstonia genus rising in obese patients.

The identification of a functional molecular moiety relating the lipopolysaccharides (LPSs) to their capacity to induce inflammation-mediated metabolic diseases needed to be performed. We previously described a proportional increase in the relative abundance of the 16 SrDNA bacterial gene from the genus Ralstonia, within the microbiota from the adipose tissue stroma vascular fraction of obese patients, suggesting a causal role of the bacteria. Therefore, we first characterized the structures of the lipids A, the inflammatory inducing moieties of LPSs, of three Ralstonia species: Ralstonia eutropha, R. mannitolilytica and R. pickettii, and then compared each, in terms of in vitro inflammatory capacities. R. pickettii lipid A displaying only 5 Fatty Acids (FA) was a weaker inducer of inflammation, compared to the two other species harboring hexa-acylated lipids A, despite the presence of 2 AraN substituents on the phosphate groups. With regard to in vitro pro-inflammatory activities, TNF-α and IL-6 inducing capacities were compared on THP-1 cells treated with LPSs isolated from the three Ralstonia. R. pickettii, with low inflammatory capacities, and recently involved in nosocomial outcomes, could explain the low inflammatory level reported in previous studies on diabetic patients and animals. In addition, transmission electron microscopy was performed on the three Ralstonia species. It showed that the R. pickettii under-acylated LPSs, with a higher level of phosphate substitution had the capacity of producing more outer membrane vesicles (OMVs). The latter could facilitate transfer of LPSs to the blood and explain the increased low-grade inflammation observed in obese/diabetic patients.

Deep Sequential Segmentation of Organs in Volumetric Medical Scans.

Segmentation in 3-D scans is playing an increasingly important role in current clinical practice supporting diagnosis, tissue quantification, or treatment planning. The current 3-D approaches based on convolutional neural networks usually suffer from at least three main issues caused predominantly by implementation constraints-first, they require resizing the volume to the lower-resolutional reference dimensions, and second, the capacity of such approaches is very limited due to memory restrictions, and third, all slices of volumes have to be available at any given training or testing time. We address these problems by a U-Net-like architecture consisting of bidirectional convolutional long short-term memory and convolutional, pooling, upsampling, and concatenation layers enclosed into time-distributed wrappers. Our network can either process the full volumes in a sequential manner or segment slabs of slices on demand. We demonstrate performance of our architecture on vertebrae and liver segmentation tasks in 3-D computed tomography scans.

A comparative study of the complete lipopolysaccharide structures and biosynthesis loci of Bordetella avium, B. hinzii, and B. trematum.

A dozen species of human and animal pathogens have been described to date in the Bordetella genus, with the majority being respiratory tract pathogens. Bordetella avium lipopolysaccharides have been shown to be important virulence factors for this bird pathogen. B. hinzii is closely related to the B. avium species, but has also been isolated from humans. B. trematum is associated to ear and blood infections in humans. Its lipid A structure, the biological active moiety of LPS, was found to be closely related to those of B. avium and B. hinzii. It is important to unveil the subtle structural modifications orchestrated during the LPS biosynthetic pathway to better understand host adaptation. The present data are also important in the context of deciphering the virulence pathways of this important genus containing the major pathogens B. pertussis and B. parapertussis, responsible for whooping cough. We recently reported the isolated lipid A structures of the three presented species, following the previously identified O-chain structures. In the present study, we provide details on the free and O-chain-linked core oligosaccharides which were required to characterize the complete LPS structures. Data are presented here in relation to relevant biosynthesis genes. The present characterization of the three species is well illustrated by Matrix Assisted Laser Desorption Mass Spectrometry experiments, and data were obtained mainly on native LPS molecules for the first time.

Structure and dynamics of high-temperature strontium aluminosilicate melts.

We report the study of high-temperature melts (1600-2300 °C) and related glasses in the SrO-Al2O3-SiO2 phase diagram considering three series: (i) depolymerized ([SrO]/[Al2O3] = 3); (ii) fully polymerized ([SrO]/[Al2O3] = 1); and (iii) per-aluminous ([SrO]/[Al2O3] < 1). By considering the results from high-temperature 27Al NMR and high-temperature neutron diffraction, we demonstrate that the structure of the polymerized melts is controlled by a close-to-random distribution of Al and Si in the tetrahedral sites, while the depolymerized melts show smaller rings with a possible loss of non-bridging oxygens on AlO4 units during cooling for high-silica compositions. A few five-fold coordinated VAl sites are present in all compositions, except per-aluminous ones where high amounts of high-coordinated aluminium are found in glasses and melts with complex temperature dependence. In high-temperature melts, strontium has a coordination number of 8 or less, i.e. less than in the corresponding glasses. The dynamics of high-temperature melts were studied from 27Al NMR relaxation and compared to macroscopic shear viscosity data. These methods provide correlation times in close agreement. At very high temperatures, the NMR correlation times can be related to the oxygen self-diffusion coefficient, and we show a decrease of the latter with increasing Si/(Al + Si) ratios for polymerized melts with no compositional dependence for depolymerized ones. The dominant parameter controlling the temperature dependence of the aluminum environment of all melts is the distribution of Al-(OSi)p(OAl)(4-p) units.

Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies.

The structure of strontium glasses with the composition (SiO2)1-2 x(Al2O3) x(SrO) x ( R = [SrO]/[Al2O3] = 1) and (SiO2)1-4 x(Al2O3) x(SrO)3 x ( R = 3) has been explored experimentally over both short- and intermediate-length scales using neutron diffraction, 27Al and 29Si nuclear magnetic resonance, and classical molecular dynamics simulations in model systems containing around 10 000 atoms. We aim at understanding the structural role of aluminum and strontium as a function of the chemical composition of these glasses. The short- and medium-range structure such as aluminum coordination, bond angle distribution, Q( n) distribution, and oxygen speciation have been systematically studied. Two potential forms of the repulsive short-range interactions have been investigated, namely, the Buckingham and Morse forms. The comparison of these forms allows us to derive general trends independent of the particular choice of the potential form. In both cases, it is found that aluminum ions are mainly fourfold coordinated and mix with the silicon network favoring the Al/Si mixing in terms of Al-O-Si linkages. For the R = 1 glass series, despite the full charge compensation ([SrO] = [Al2O3]), a small fraction of fivefold aluminum is observed both experimentally and in MD simulations, whereas the concentration of sixfold aluminum is negligible. MD shows that the fivefold aluminum units AlO5 preferentially adopt a small ring configuration and link to tricoordinated oxygen atoms whose population increases with the aluminum content and are mainly found in OAl3 and OAl2Si configurations. The modeled Sr speciation mainly involves SrO7 and SrO8 polyhedra, giving a range of average Sr2+ coordination numbers between 7 and 8 slightly dependent on the short-range repulsive potential form. A detailed statistical analysis of T-O-T' (T, T' = Al,Si), accounting for the population of the various oxygen speciations, reveals that both potentials predict a nearly identical Al/Si mixing.