Modeling Peptide-Protein Interactions by a Logo-Based Method: Application in Peptide-HLA Binding Predictions.

Peptide-protein interactions form a cornerstone in molecular biology, governing cellular signaling, structure, and enzymatic activities in living organisms. Improving computational models and experimental techniques to describe and predict these interactions remains an ongoing area of research. Here, we present a computational method for peptide-protein interactions' description and prediction based on leveraged amino acid frequencies within specific binding cores. Utilizing normalized frequencies, we construct quantitative matrices (QMs), termed 'logo models' derived from sequence logos. The method was developed to predict peptide binding to HLA-DQ2.5 and HLA-DQ8.1 proteins associated with susceptibility to celiac disease. The models were validated by more than 17,000 peptides demonstrating their efficacy in discriminating between binding and non-binding peptides. The logo method could be applied to diverse peptide-protein interactions, offering a versatile tool for predictive analysis in molecular binding studies.

Effect of 25-hydroxycholecalciferol supplementation with different dietary available phosphorus levels for broilers.

1. Based on the hypothesis that 25-hydroxycholecalciferol (25-OH-D3) inclusion would optimise dietary mineral digestibility and ameliorate growth performance and bone mineralisation in available phosphorus (AvP) deficient-fed broilers, a trial was conducted to evaluate its effect on diets with different levels of AvP.2. Broilers aged 1-21 d were randomly assigned one of the eight treatments, consisting of four dietary levels of AvP (0.45%, 0.42%, 0.39%, and 0.36%) and with or without supplementation with 25-OH-D3 at 69 µg/kg of feed. All diets contained 100 µg/kg of vitamin D3 (cholecalciferol).3. The addition of 25-OH-D3 resulted in higher feed intake and body weight gain, and lower FCR (P < 0.05) compared to non-supplemented diets, whereas AvP levels had a quadratic effect only on feed intake. There were no interactions between treatment factors.4. Increasing AvP levels linearly reduced the ileal digestibility of Ca and P (P < 0.01) and supplementing 25-OH-D3 increased both Ca and P ileal digestibility (P < 0.05), without any interactions observed for ileal digestibility.5. There was an interaction, whereby 25-OH-D3 inclusion increased serum metabolites in broilers fed 0.36% to 0.42% AvP compared to the non-supplemented diets (P < 0.001), whereas, at 0.45% AvP, diets with or without 25-OH-D3 had similar results.6. The P content in bone linearly increased in line with AvP levels (P < 0.05) and supplementation of 25-OH-D3 increased ash bone content (P < 0.001).7. Broilers can benefit from 25-OH-D3 supplementation combined with cholecalciferol with regard to Ca and P utilisation and vitamin D status, allowing for a reduction of dietary AvP levels down to 0.36% without impairing growth performance or bone status.

Association of vitamin D levels and oral lichen planus. Systematic review and meta-analysis.

BACKGROUND: Oral lichen planus (OLP) is an inmuno-mediated mucocutaneous chronical inflammatory disease. Multiple predisposing factors are considered, such as autoimmune response, microorganisms, medications, dental materials, psychological stress, genetic predisposition or nutritional deficiencies. The deficiency of vitamin D has been related to various autoimmune diseases like OLP. MATERIAL AND METHODS: The electronic search was conducted in the MEDLINE (Pubmed), Scopus, Cochrane Library and Web of Science databases. To assess any potential risk of bias, the authors critically appraised each study by the Newcastle-Ottawa Scale for cohort and case-control studies. Pooled analyses were performed using a random-effects model. Heterogeneity of the studies was assessed by the I2 statistics. Forest Plots were performed to graphically represent the difference between vitamin D concentrations in the OLP compared to healthy group, with a 95% confidence interval. RESULTS: After applying our inclusion and exclusion criteria, 7 articles were included in our review. The median concentration vitamin D in ng/ml found in serum for patients with OLP was of 26,6311,75ng/ml and for healthy patients was of 31,438,7ng/ml. Regarding the quantitative analysis, 7 studies were included. The difference in the concentration of vitamin D in healthy patients and patients with OLP statistically significant (Weighted Mean Difference (WMD): -6.20, 95% CI: -11.24 to -1.15, p=0.02 and I2 heterogeneity: 94%, p<0.00001). CONCLUSIONS: The patients with OLP have statistically lower vitamin D levels than healthy patients.

Pre-surgical socket analysis for immediate implant placement.

BACKGROUND: Traditional protocols for implant surgery suggest a healing period of 2-3 months from dental extraction to implant placement. Based on all the volumetric modifications produced by that approach, there are authors who advocate for immediate implantology. The aim of the present study was to determine the prevalence of different sockets, and the dimensions of the bone around the upper anterior incisors and canines, to determine the predictability of immediate implants in our population. MATERIAL AND METHODS: This is an observational, cross-sectional study based on cone-beam computed tomography images of the anterior maxila of patients attending the Odontological Hospital of the University of Barcelona (OHUB) and requesting for implant treatment. Different measurements were performed on every analyzed tooth, and also they were categorized by using the main dental sockets classifications. RESULTS: Bone attachment levels and cortical thickness are lower in women compared to men in all three types of teeth (the difference in the bone attachment levels ranges from 4.68%-8.63% and in the bone thickness goes from 0.02-0.58mm). Bone attachment level gradually reduces with age. The reductions observed in all the measurements are higher in the case of canines, compared with the other teeth. The differences from patients <45 years old and patients between 55-64 years old are 13.58±14.55mm in the case of central incisors, 10.04±5.52 in the case of lateral incisors and 22.39±13.65mm in the case of canines. CONCLUSIONS: According to our results, the canines are the teeth with the greatest complexity when it comes to immediate implantology treatments. Furthermore, that kind of treatment is more complex as age increases, since we observed a gradual percentage of unfavourable sockets in older patients.

Dietary high-protein distiller's dried grains with solubles can fully replace soybean meal in diets for meat quails without affecting growth performance.

1. The purpose of this study was to determine the metabolisable energy of high-protein distiller's dried grains with solubles (HP-DDGS) for meat quail (Coturnix coturnix coturnix; Experiment I) and evaluate the effects of dietary levels of HP-DDGS on animal performance, carcase characteristics, meat quality, and organ weights (Experiment II).2. In Experiment 1, 96 meat quail were distributed in a completely randomised design with two treatments (reference or test diet) and six replicates of eight birds. The experimental period consisted of 5 d adaptation, followed by 5 d total excreta collection. The experimental diets consisted of a reference (control) and a test diet formulated with 800 g/kg reference diet and 200 g/kg HP-DDGS.3. In Experiment 2, 612 meat quail were distributed in a completely randomised design fed one of six dietary levels of HP-DDGS (0, 85, 170, 255, 340, or 425 g/kg) as a replacement for soybean meal. At 42 d of age, birds were slaughtered and evaluated for carcase yield, organ weights, and meat quality.4. Apparent metabolisable energy values corrected for nitrogen retention of HP-DDGS were 12.5 and 12.3 MJ/kg for males and females, respectively.5. In the starter phase (1-21 d of age), increasing dietary HP-DDGS levels had a quadratic effect on body weight (BW) (P = 0.020) and body weight gain (BWG) (P = 0.019). The maximum BW and BWG values were estimated to be achieved with 296.0 and 296.2 g/kg dietary HP-DDGS, respectively. Overall (1-42 d of age), increasing dietary HP-DDGS levels in replacement of soybean meal did not affect animal performance, carcase yield, meat quality or organ weight in meat quail.6. It was concluded that dietary HP-DDGS can fully replace soybean meal in meat quail diets without affecting growth performance, carcase yield, meat quality or organ weight.

Treatment of recurrent aphtous stomatitis: A systematic review.

BACKGROUND: Recurrent Aphtous Stomatitis (RAS) is the most common process affecting the oral mucosa. It is painful, multifactorial and generally recurrent. The aim of this systematic review is to know the last treatment approaches and their effectivity. MATERIAL AND METHODS: we compared the outcome of different kind of treatments in terms of the improvement of the lesions, reduction of the size of those lesions and the time needed for their healing. Inclusion criteria were: clinical trials, articles written in English or Spanish and published less than 5 years ago. RESULTS: we used the following keywords: "treatment", "aphtous stomatitis", "canker sores"; combined with Boolean operators AND y OR. We selected 28 articles for reading the whole text, and after applying the eligibility criteria, we selected 17 articles for our revision. Among all the treatments, we emphasize the barrier method based in compound of cellulose rubber and a calcium/sodium copolymer PVM/MA, with which the difference in the 3rd and 7th day was of -6,29 ± 0,14 points in the pain score. The treatment with insulin and chitosan gel, brought a pain suppression on the third day, with no reactivation of the pain during the whole study. The application of a film composed of polyurethane and sesame oil with chitosan, brought a reduction in the size of the lesions of 4,54 ± 2,84mm on the 6th day compared with the situation before the beginning of the treatment. The different kinds of laser, which produced a reduction in the pain score just at the beginning of the treatment up to 8,1 ± 1,6 points, and a reduction of the size of the lesions of 4,42 ± 1,02mm on the 7th day. CONCLUSIONS: Besides the classic treatments for RAS, we have to take into account other treatment modalities, above all the different kinds of laser.

Postural control strategies are revealed by the complexity of fractional components of COP.

The complexity of the center of pressure (COP) provides important information regarding the underlying mechanisms of postural control. The relationships between COP complexity and balance performance are not fully established and might depend on the task constraints and the filtering decomposition of the COP signal. This study assessed COP complexity under different task constraints and it was assessed if emergent dynamics of COP fluctuations differ according to fractional components of COP related to peripheral or central adjustments. One hundred and sixty-two participants performed two sitting balance tasks. Accuracy was required by following a target that moved in the mediolateral (ML) or in the anteroposterior (AP) axis. Complexity dynamics of COP were addressed through detrended fluctuation analysis (DFA) in the axis constrained by accuracy requirements and in the one nonconstrained. Decomposition of COP components was applied by low-pass, band-pass, and high-pass filters. DFA of low-pass and band-pass components of COP in the constrained axis were small-to-moderately related (r = 0.190-0.237) to balance performance. DFA of the high-pass component of the COP exhibited the opposite relationship (r = -0.283 to -0.453) in both axes (constrained and nonconstrained). This study evidences that COP complexity is linked to better performance. This positive relationship complexity/performance is observed in the low- and mid-frequency components of the COP. These components might be related to central mechanisms of postural control. The lack of relationships between the different frequencies analyzed in the study suggests that they are capturing different components of postural control.NEW & NOTEWORTHY The relationship between the complexity of the center of pressure (COP) and balance performance is not fully established. The task constraints and the filtering decomposition of the COP could influence this relationship. COP complexity is related to a better balance performance only in low frequencies and midfrequencies of the COP. The different frequencies measure different postural control components. Filtering decomposition should be explored in future studies to address the underlying mechanisms of postural control.

Pembrolizumab in combination with gemcitabine for patients with HER2-negative advanced breast cancer: GEICAM/2015-04 (PANGEA-Breast) study.

BACKGROUND: We evaluated a new chemoimmunotherapy combination based on the anti-PD1 monoclonal antibody pembrolizumab and the pyrimidine antimetabolite gemcitabine in HER2- advanced breast cancer (ABC) patients previously treated in the advanced setting, in order to explore a potential synergism that could eventually obtain long term benefit in these patients. METHODS: HER2-negative ABC patients received 21-day cycles of pembrolizumab 200 mg (day 1) and gemcitabine (days 1 and 8). A run-in-phase (6 + 6 design) was planned with two dose levels (DL) of gemcitabine (1,250 mg/m2 [DL0]; 1,000 mg/m2 [DL1]) to determine the recommended phase II dose (RP2D). The primary objective was objective response rate (ORR). Tumor infiltrating lymphocytes (TILs) density and PD-L1 expression in tumors and myeloid-derived suppressor cells (MDSCs) levels in peripheral blood were analyzed. RESULTS: Fourteen patients were treated with DL0, resulting in RP2D. Thirty-six patients were evaluated during the first stage of Simon's design. Recruitment was stopped as statistical assumptions were not met. The median age was 52; 21 (58%) patients had triple-negative disease, 28 (78%) visceral involvement, and 27 (75%) ≥ 2 metastatic locations. Progression disease was observed in 29 patients. ORR was 15% (95% CI, 5-32). Eight patients were treated ≥ 6 months before progression. Fourteen patients reported grade ≥ 3 treatment-related adverse events. Due to the small sample size, we did not find any clear association between immune tumor biomarkers and treatment efficacy that could identify a subgroup with higher probability of response or better survival. However, patients that experienced a clinical benefit showed decreased MDSCs levels in peripheral blood along the treatment. CONCLUSION: Pembrolizumab 200 mg and gemcitabine 1,250 mg/m2 were considered as RP2D. The objective of ORR was not met; however, 22% patients were on treatment for ≥ 6 months. ABC patients that could benefit of chemoimmunotherapy strategies must be carefully selected by robust and validated biomarkers. In our heavily pretreated population, TILs, PD-L1 expression and MDSCs levels could not identify a subgroup of patients for whom the combination of gemcitabine and pembrolizumab would induce long term benefit. TRIAL REGISTRATION: ClinicalTrials.gov and EudraCT (NCT03025880 and 2016-001,779-54, respectively). Registration dates: 20/01/2017 and 18/11/2016, respectively.

Lipopeptide production by Serratia marcescens SmSA using a Taguchi design and its application in enhanced heavy oil recovery.

Biosurfactant production at reactor level by Serratia marcescens SmSA was optimized and evaluated to enhance the heavy oil recovery on carbonate rocks. Temperature, agitation, and carbon/nitrogen (C/N) ratio were evaluated to optimize biosurfactant production by using a Taguchi (L9) design. The best conditions (C/N ratio: 6, 25 °C, and agitation: 100 rpm) were used to scale up the biosurfactant production with a 3-L bioreactor. The best aeration for biosurfactant production was 0.66 volume of air per volume of liquid per minute (vvm), producing the lowest surface tension (26 mN/m) in 14 h, with a biosurfactant yield of 14.26 g/L as a crude product and 2.85 g/L as a purified product, and a critical micelle concentration of 280 mg/L. The biosurfactant was characterized as a lipopeptide, and it was stable under extreme conditions: pH (2-12), salinity up to 200 g/L, and temperature up to 150 °C confirmed by thermogravimetric analysis. Enhanced oil recovery test was carried out with a carbonate core and heavy oil under reservoir conditions, obtaining an additional recovery of 8%, due to reduced interfacial tension and modified wettability of the rock. These findings highlight the potential application of S. marcescens SmSA biosurfactant in enhanced oil recovery.

CDDA: extension and analysis of the discrete dipole approximation for chiral systems.

Discrete dipole approximation (DDA) is a computational method broadly used to solve light scattering problems. In this work, we propose an extension of DDA that we call Chiral-DDA (CDDA), to study light-chiral matter interactions with the capability of describing the underlying physics behind. Here, CDDA is used to solve and analyze the interaction of a nanoantenna (either metallic or dielectric) with a chiral molecule located in its near field at different positions. Our method allowed to relate near field interactions with far field spectral response of the system, elucidating the role that the nanoantenna electric and magnetic polarizabilities play in the coupling with a chiral molecule. In general, this is not straightforward with other methods. We believe that CDDA has the potential to help researchers revealing some of the still unclear mechanisms responsible for the chiral signal enhancements induced by nanoantennas.

Dynamic reflective color pixels based on molybdenum oxide.

Active materials which show phase transitions, usually known as Phase Change Materials (PCM), have paved the way to a new generation of reconfigurable plasmonic platforms. Tunable color devices have experienced a great development in the recent years. In particular, reflective color filters can take advantage from sunlight to select and reflect a specific resonant wavelength in the visible spectrum range. Reflective displays are usually structural color filters based on asymmetric Fabry-Perot cavities (AFPCs). For a fixed geometry, most of AFPCs filters generate static color, limiting their potential as tunable color devices. Dynamic color is achieved by introducing an active layer whose optical properties can be modulated by an external stimuli. In this paper, we propose AFPCs based on molybdenum oxide (MoOx, 2

Bringing the digestibility of prebiotics into focus: update of carbohydrate digestion models.

Oro-gastrointestinal digestion of dietary carbohydrates involves up to six different carbohydrases in a multistage process. Enzymes from the small intestinal brush border membrane play a major role in the digestibility of these substrates. However, to date, the inclusion of these small intestinal enzymes has been dismissed in most in vitro studies carried out, despite their importance in the degradation of carbohydrates. Several in vitro and in vivo studies have demonstrated the capability of brush border enzymes to degrade certain "non-digestible" carbohydrates to a different extent depending on their structural composition (monomeric composition, glycosidic linkage, etc.). In this sense, considering the available evidence, mucosal disaccharidases embedded in the small intestinal brush border membrane vesicles must be considered in addition to α-amylases; therefore, new approaches for the evaluation of the digestibility of carbohydrates have been recently reported. These new methods based on the utilization of the small intestinal enzymes present in the brush border membrane aim to fulfill the final and key step of the digestion of carbohydrates in the small intestine. Here, rat small intestinal extract enzymes as well as brush border membrane vesicles from pig have emerged as very reliable and useful tools to evaluate carbohydrate digestion. Thus, this review aims to go briefly through the most relevant digestion methods for carbohydrates that are currently available and to highlight the new improved methods, which include mammalian intestinal enzymes, and their current use in the evaluation of the digestibility of prebiotics.

Antigen-specific response of CD4+ T cells and hepatic lymph node cells to Fasciola hepatica-derived molecules at the early and late stage of the infection in sheep.

The immunomodulatory capacity of F. hepatica antigens is probably one of the main reasons for the development of a driven non-protective Th2 immune response. In this study, we analysed the cellular response of hepatic lymph node cells and CD4+ T cells in terms of proliferative response, efficiency of antigen presentation and cytokine production, to F. hepatica-derived molecules, at early and late stages of the infection. Thirty-one sheep were allocated into five groups and were slaughtered at 16 dpi and 23 wpi. In order to analyse antigen-specific response, the following F. hepatica recombinant molecules were used: rFhCL1, rFhCL2, rFhCL3, rFhCB1, rFhCB2, rFhCB3, rFhStf-1, rFhStf-2, rFhStf-3 and rFhKT1. A cell proliferation assay using hepatic lymph node cells and an antigen presentation cell assay using CD4+ T cells were performed. At 16 dpi, all molecules but rFhStf-2 and rFhKT1 elicited a significant cell proliferative response on hepatic lymph node cells of infected animals. At both early and late stage of the infection, antigen presentation of rFhCB3 and rFhCL2 resulted in higher stimulation index of CD4+ T cells which was IL-2 mediated, although no statistically significant when compared to uninfected animals. Significant cytokine production (IL-4, IL-10 and IFN-γ) was conditioned by the antigen-specific cell stimulation. No CD4+ T cell exhaustion was detected in infected sheep at the chronic stage of the infection. This study addressed antigen-specific response to F. hepatica-derived molecules that are involved in key aspects of the parasite survival within the host.

Determinants of anterior tooth loss in Chilean adults: data from the Chilean National Health Survey 2016-2017.

OBJECTIVE: To describe prevalence of anterior tooth loss and its determinants among Chilean people aged over 15 years. METHODS: Cross-sectional study, using the sampling frame of the Chilean National Health Survey 2016-2017 (n=5473 participants). Multivariate logistic regressions were performed to obtain the prevalence and odds ratio (OR) for anterior tooth loss using a complex sampling method. We described anterior tooth loss affecting each jaw according to sex, age, educational level, urban/rural residence and having health insurance. RESULTS: The odds of anterior tooth loss were 7.11 (95%CI: 4.57 - 10.78) and 4.84 (95%CI: 3.02 - 7.72) times higher for low-educated subjects compared to those with more educational, for the upper and lower jaw respectively. Also, the odds of anterior tooth loss for the upper jaw was 1.34 (CI 95%: 1.07 - 1.66) times higher in women, whereas for the lower jaw, no significant differences by sex were found (p-value 0.14). Adults having only the National Health Fund B insurance (FONASA B) had odds of losing one or more anterior teeth 2.43 (CI 95%: 1.34 - 4.39) times higher in the upper jaw and 2.08 (CI 95%: 1.03 - 4.20) in the lower jaw compared with those having Health Insurance Institutions (ISAPREs). CONCLUSION: Our study showed for the first time that anterior tooth loss is a widespread condition in Chile, with marked inequities by sex, age, educational level, and geographical area. People in the public health insurance system have a higher odds of anterior tooth loss.

In vitro assessment of the combination of cylindrospermopsin and the organophosphate chlorpyrifos on the human neuroblastoma SH-SY5Y cell line.

Cylindrospermopsin (CYN) is a cyanotoxicant which occurrence is increasing due to climate change. Cylindrospermopsin is able to exert damage in the organism at several levels, among them, in the nervous system. Moreover, it is important to take into account that it is not usually present isolated in nature, but in combination with some other pollutants, being the case of the pesticide chlorpyrifos (CPF). Thus, the aim of the present work was to assess the effects of the interaction of CYN in combination with CPF in the human neuroblastoma cell line SH-SY5Y by evaluating cytotoxicity and mechanistic endpoints. The mixtures 0.25 + 21, 0.5 + 42, 1 + 84 µg/mL of CYN + CPF based on cytotoxicity results, were evaluated, and the isobologram method detected an antagonistic effect after 24 and 48 h of exposure. Moreover, although no alterations of reactive oxygen species were detected, a significant decrease of glutathione levels was observed after exposure to both, CPF alone and the combination, at all the concentrations and times of exposure assayed. In addition, CYN + CPF caused a marked decrease in the acetylcholinesterase activity, providing similar values to CPF alone. However, these effects were less severe than expected. All these findings, together with the morphological study results, point out that it is important to take into account the interaction of CYN with other pollutants. Further research is required to contribute to the risk assessment of CYN and other contaminants considering more realistic exposure scenarios.

Breast cancer PAM50 signature: correlation and concordance between RNA-Seq and digital multiplexed gene expression technologies in a triple negative breast cancer series.

BACKGROUND: Full RNA-Seq is a fundamental research tool for whole transcriptome analysis. However, it is too costly and time consuming to be used in routine clinical practice. We evaluated the transcript quantification agreement between RNA-Seq and a digital multiplexed gene expression platform, and the subtype call after running the PAM50 assay in a series of breast cancer patients classified as triple negative by IHC/FISH. The goal of this study is to analyze the concordance between both expression platforms overall, and for calling PAM50 triple negative breast cancer intrinsic subtypes in particular. RESULTS: The analyses were performed in paraffin-embedded tissues from 96 patients recruited in a multicenter, prospective, non-randomized neoadjuvant triple negative breast cancer trial (NCT01560663). Pre-treatment core biopsies were obtained following clinical practice guidelines and conserved as FFPE for further RNA extraction. PAM50 was performed on both digital multiplexed gene expression and RNA-Seq platforms. Subtype assignment was based on the nearest centroid classification following this procedure for both platforms and it was concordant on 96% of the cases (N = 96). In four cases, digital multiplexed gene expression analysis and RNA-Seq were discordant. The Spearman correlation to each of the centroids and the risk of recurrence were above 0.89 in both platforms while the agreement on Proliferation Score reached up to 0.97. In addition, 82% of the individual PAM50 genes showed a correlation coefficient > 0.80. CONCLUSIONS: In our analysis, the subtype calling in most of the samples was concordant in both platforms and the potential discordances had reduced clinical implications in terms of prognosis. If speed and cost are the main driving forces then the preferred technique is the digital multiplexed platform, while if whole genome patterns and subtype are the driving forces, then RNA-Seq is the preferred method.

Unravelling the diversity of glycoside hydrolase family 13 α-amylases from Lactobacillus plantarum WCFS1.

BACKGROUND: α-Amylases specifically catalyse the hydrolysis of the internal α-1, 4-glucosidic linkages of starch. Glycoside hydrolase (GH) family 13 is the main α-amylase family in the carbohydrate-active database. Lactobacillus plantarum WCFS1 possesses eleven proteins included in GH13 family. Among these, proteins annotated as maltose-forming α-amylase (Lp_0179) and maltogenic α-amylase (Lp_2757) were included. RESULTS: In this study, Lp_0179 and Lp_2757 L. plantarum α-amylases were structurally and biochemically characterized. Lp_2757 displayed structural features typical of GH13_20 subfamily which were absent in Lp_0179. Genes encoding Lp_0179 (Amy2) and Lp_2757 were cloned and overexpressed in Escherichia coli BL21(DE3). Purified proteins showed high hydrolytic activity on pNP-α-D-maltopyranoside, being the catalytic efficiency of Lp_0179 remarkably higher. In relation to the hydrolysis of starch-related carbohydrates, Lp_0179 only hydrolysed maltopentaose and dextrin, demonstrating that is an exotype glucan hydrolase. However, Lp_2757 was also able to hydrolyze cyclodextrins and other non-cyclic oligo- and polysaccharides, revealing a great preference towards α-1,4-linkages typical of maltogenic amylases. CONCLUSIONS: The substrate range as well as the biochemical properties exhibited by Lp_2757 maltogenic α-amylase suggest that this enzyme could be a very promising enzyme for the hydrolysis of α-1,4 glycosidic linkages present in a broad number of starch-carbohydrates, as well as for the investigation of an hypothetical transglucosylation activity under appropriate reaction conditions.

Physically meaningful Monte Carlo approach to the four-flux solution of a dense multilayered system.

Due to the complexity of the radiative transfer equation, light transport problems are commonly solved using either models under restrictive assumptions, e.g., N-flux models where infinite lateral extension is assumed, or numerical methods. While the latter can be applied to more general cases, it is difficult to relate their parameters to the physical properties of the systems under study. Hence in this contribution we present, first, a review of a four-flux formalism to study the light transport problem in a plane-parallel system together with a derivation of equations to evaluate the different contributions to the total absorptance and, second, as a complementary tool, a Monte Carlo algorithm with a direct correspondence between its inputs and the properties of the system. The combination of the four-flux model and the Monte Carlo approach provides (i) all convergence warranties since the formalism has been established as a limit and (ii) new added capabilities, i.e., both temporal (transient states) and spatial (arbitrarily inhomogeneous media) resolution. The support between the theoretical model and the numerical tool is reciprocal since the model is utilized to set a Monte Carlo discretization criterion, while the Monte Carlo approach is used to validate the aforementioned model. This reinforces the parallel approach used in this work. Furthermore, we provide some examples to show its capabilities and potential, e.g., the study of the temporal distribution of a delta-like pulse of light.

Changes in dietary intake, plasma carotenoids and erythrocyte membrane fatty acids in breast cancer survivors after a lifestyle intervention: results from a single-arm trial.

BACKGROUND: The influence of nutrition on breast cancer prognosis is still inconclusive and therefore dietary interventions incorporating dietary biomarkers are needed to confirm compliance with dietary goals and clarify biological mechanisms. The present study assessed whether a lifestyle intervention in breast cancer survivors could affect dietary biomarkers of fruit and vegetables and fatty acids. METHODS: In this phase II single-arm trial, 37 overweight/obese early stage breast cancer patients completed a 12-week diet and exercise intervention. The intervention involved 1-h weekly diet sessions delivered by a dietician and 75-min bi-weekly physical activity sessions of moderate-to-high intensity led by trained monitors. Before and after the intervention, three 24-h dietary recalls were carried out to calculate nutrient intakes and, in addition, blood samples were taken to measure plasma carotenoids, vitamin E and retinol concentrations and erythrocyte membrane fatty acid (EFA) composition. Wilcoxon signed rank tests were used to assess changes in dietary and biomarkers measurements over the intervention period. RESULTS: After the intervention, there was a significant increase in the intake of dietary carotenoids (+15.1% compared to baseline) but not plasma carotenoids levels (+6.3%). Regarding the EFA levels, we observed a significant decrease in percentage of saturated fatty acids (-1.4%) and n-6 polyunsaturated fatty acids (-2.9%) and an increase in monounsaturated fatty acids (1.7%) and total and long-chain n-3 polyunsaturated fatty acids (by 13.1% and 13.7%, respectively). A favourable decrease in the ratio of long-chain n-6 to n-3 polyunsaturated fatty acids (-9.1%) was also observed. CONCLUSIONS: After a short-term diet and exercise intervention in overweight/obese breast cancer survivors, we observed significant changes in dietary nutrients and fatty acid biomarkers, suggesting positive dietary changes that could be relevant for breast cancer prognosis.

BOPHYs versus BODIPYs: A comparison of their performance as effective multi-function organic dyes.

The computationally-aided photophysical and lasing properties of a selected battery of BOPHYs are described and compared to those of related BODIPY counterparts. The present joined theoretical-experimental study helps to put into context the weaknesses and strengths of both dye families under different irradiation conditions. The chemical versatility of the BOPHY scaffold has been also comparatively explored to modulate key photonic properties towards the development of red-emitting dyes, chiroptical dyes and singlet oxygen photosensitizers. Thus, BOPHY BINOLation by fluorine substitution with enantiopure BINOLs endows the BOPHY chromophore with chiroptical activity, as supporting by the simulated circular dichroism, decreasing deeply its fluorescent response due to the promotion of fluorescence-quenching intramolecular charge transfer (ICT). Interestingly, the sole alkylation of the BOPHY core strongly modulates the promotion of ICT, allowing the generation of highly bright BINOL-based BOPHY dyes. Moreover, 3,3'-dibromoBINOLating BOPHYs can easily achieve singlet-oxygen photogeneration, owing to spin-orbit coupling mediated by heavy-atom effect feasible in view of the theoretically predicted disposition of the bromines surrounding the chromophore. From this background, we have established the master guidelines to design bright fluorophores and laser dyes, photosensitizers for singlet oxygen production and chiroptical dyes based on BOPHYs. The possibility to finely mix and balance such properties in a given molecular scaffold outstands BOPHYs as promising dyes competing with the well-settled BODIPY dyes.