Miracle-dz/UniFAR-FTUs huggingface dataset:
Binding hot spot and activation mechanism of maltitol and lactitol towards the human sweet taste receptor.

Human sweet taste receptor (hSTR) recognizes a wide array of sweeteners, resulting in sweet taste perception. Maltitol and lactitol have been extensively used in place of sucrose due to their capability of preventing dental caries. Herein, several molecular modeling approaches were applied to investigate the structural and energetic properties of these two polyols/hSTR complexes. Triplicate 500-ns MD simulations and MM/GBSA-based free energy calculations revealed that the TAS1R2 monomer is the preferential binding site for maltitol and lactitol rather than the TAS1R3 region. Several polar residues (D142, S144, Y215, D278, E302, R383, and especially N143) were involved in polyols binding through electrostatic attractions and H-bond formations. The molecular complexation process not only induced the stable form of ligands, but also stimulated the conformational adaptation of the TAS1R2 monomer to become a close-packed structure through an induced-fit mechanism. Notably, the binding affinity of maltitol/TAS1R2 complex (ΔGbind of -17.93 ± 1.49 kcal/mol) were significantly higher than that of lactitol/TAS1R2 system (-8.53 ± 1.78 kcal/mol), in line with the experimental relative sweetness. These findings provide an in-depth understanding of the differences in the sweetness response between maltitol and lactitol, which could be helpful to design novel polyol derivatives with a higher sweet taste perception.
Case-mix for assessing primary care value (CPCV)

Measuring primary care (PC) performance and designing payment systems that reward value rather than volume have been a great challenge due in large part to lack of reliable risk adjustment mechanisms pertinent to primary care. Using risk scores designed for total resource needs to assess PC performance or set PC payment rates is inadequate because high-cost patients may not have high needs in PC and vice versa. The greatest challenge in developing a risk algorithm for PC is that significant components of PC providers’ workload are unobservable but needed in the modeling. In this study, we sought to overcome this challenge by analyzing 5,172,773 patients in the U.S. Veterans Affairs (VA) healthcare system to identify potential proxies of the unobservable PC workload. By combining the number of PC visits and prescription drug classes, we formed a proxy for the expected PC workload, which enabled us to develop a case-mix algorithm pertaining to primary care. The resultant algorithm with high explanatory power (R2 = 0.702) is based on a publicly available patient classification system to account for patient comorbidities and thus can be used by other health systems to compare PC performance, workload, staffing levels, and to set more equitable payment rates.
National Budget as Linked Open Data: New Tools for Supporting the Sustainability of Public Finances

This paper presents the visualization of national budget, a tool based on Semantic Web technologies that shows by graphic representations the Chilean budget law published annually, and their execution by each state agency. We describe the processes for consuming open data from the Budget National Agency, and how this data is transformed and published to linked open data, based on a National Budget Ontology. Although similar initiatives have been developed on transparency and public budget around the world, we consider that there is no previous experience showing optimized access mechanisms both for human and machine readable, providing in each case the highest level of aggregation, granularity and interoperability, making it understandable and easy to process complex data and legislation. As part of our analysis, we describe a recent scenario of usage in the context of the socio-political crisis in Chile, where we discuss the possible impact of the linked open dataset and data visualizations for distribution and control of funds, on the premise that this type of tools can support the decision making and sustainability of public finances. Finally, we present the results of our budget knowledge graph and the lessons learned during the development, allowing to replicate the process and enabling potential uses of the published data in other contexts.
ISOLATION AND CHARACTERISATION OF A CULM- SPECIFIC PROMOTER ELEMENT FROM SUGARCANE

Sugarcane (Saccharum spp) is an important crop worldwide and is cultivated for the high level of sucrose in its mature internodes. Because of the exhaustion of the genetic potential in the commercial sugarcane germplasm conventional breeding has not lately been able to enhance sucrose content. Currently there is a concerted effort to improve culm sucrose content by genetic engineering which will require appropriate transgenes and promoters. One of the major constraints to genetic engineering of sugarcane is the lack of stable promoters required to drive tissueor organ-specific expression of transgenes. Tissue and developmental stage specific promoters allow targeting of transgene activity and in doing so reduce the impact on non-target tissues. These promoters could also be advantageous to manipulate certain aspects of sucrose metabolism specifically in mature culm tissue. In addition, no promoters are currently freely available to the South African Sugar Industry for use in their transgenic program. The primary goal of this project was therefore to isolate a mature tissue-specific promoter for use in transgenic sugarcane plants. The approach followed was firstly, to identify an endogenous gene expressed in the desired pattern, and then to isolate the corresponding promoter from the sugarcane genome. cDNA macroarrays were initially used to identify differentially expressed sequences. The tissue specificity of potential clones was confirmed using RNA blot analysis. Two clones (c23-a and c22-a) were isolated and confirmed to be mature culm specific. Clone c22-a (putative dirigentlike protein) was selected for promoter isolation based on its culm tissue specific expression pattern and its proximity to the 5’ end of the gene. Furthermore, to confirm the activity of this promoter in the storage parenchyma cells, the exact cellular localisation of the transcript in the mature tissue was determined through in situ hybridisation. In situ hybridisation results confirmed the presence of the transcript in the parenchyma cells of mature culm tissue only. Moreover, the transcript is present in high concentrations in the parenchyma tissues surrounding the vascular bundles and parenchyma cells of the vascular complex. The selected dirigent-like gene was sequenced to allow the design of primers that could be used for the isolation of the corresponding promoter region using a long-range inverse PCR (LR-
Comparative efficacy of three serological tests for antigenic characterization of fmd virus type ‘o’ isolates

Three serological tests viz. micro complement fixation test (mCFT), soundwich enzyme-linked immunosorbent assay (sELISA) and liquid phase blocking ELISA (LPBE) were used to compare the r value for characterization of 10 isolates of FMD virus type O from field outbreaks with the IVRI vaccine virus strain. In unidirectional testing, the r value of most of the isolates was highest with sELISA and the lowest with the mCFT in unidirectional testing. In the reverse direction testing, the r value of the reference virus strain was almost same with the three tests except the lower r value of the reference strain with two of the isolates antisera in LPBE and with one of the isolate in mCFT.
Multiple extracranial metastases from glioblastoma multiforme: a case report and literature review

Extracranial metastasis from glioblastoma multiforme (GBM) is rare, especially multi-site metastases without intracranial recurrence. However, the metastatic mechanism of GBM remains unknown and there is currently no consensus regarding the best therapeutic regimen. We report the case of a 46-year-old man with primary GBM who developed scalp metastases and subsequent multiple pulmonary metastases. He was treated with the Stupp regimen after surgery for the intracranial tumor. However, a series of soft masses in the scalp were subsequently identified, and new nodules were found in his left eyebrow arch during chemoradiotherapy. Despite salvage chemotherapy and targeted therapy, the patient eventually died of respiratory failure with multiple pulmonary metastases. This case highlights the need for rigorous follow-up, including brain magnetic resonance imaging, in patients with GBM. The occurrence of extra-central nervous system symptoms indicates the possibility of metastasis, and the relevant examinations should be conducted promptly. Positive therapies may help to relieve symptoms and prolong survival in patients with metastatic GBM.
Ubiquitination and Receptor Endocytosis

Protein tyrosine kinase Pyk2 and multifunctional adaptor protein Cbl are implicated in the regulation of the cytoskeleton in several cell types. We report that Pyk2 and Cbl form a signaling complex that is translocated to lipid rafts and is enriched in growth cones of differentiating PC12 cells following growth factor stimulation. We found that Pyk2 and Cbl interacted with the adaptor protein ArgBP2, which also bound to flotillin-1, a component of lipid raft microdomains. These interactions contributed to recruitment of the Pyk2/Cbl complex to lipid raft compartments. In addition, Pyk2, Cbl and ArgBP2 were found co-localized with actin in axons and growth cones of differentiated PC12 cells. Moreover, co-expression of Pyk2, ArgBP2 and Cbl facilitated growth factor-induced formation of lamellipodia at the tip of neurites. Formation of these growth cone lamellipodia was dependent on intact lipid rafts and the Cbl-associated effectors Crk and phosphatidylinositol 3 (PI 3)-kinase. Our results indicate that recruitment of Pyk2/Cbl complexes to lipid rafts participates in growth factor-induced regulation of the actin cytoskeleton in growing neurites.
A community-based assessment of the perception and involvement of male partners in maternity care in Benin-City, Nigeria

Abstract Male involvement in maternal health promotion is paramount to safe motherhood. This study evaluates the perception and participation of male partners in maternity care (MC). A cross-sectional study involving 372 participants was conducted through qualitative (interviews and focus group discussion) and quantitative research methods which assessed knowledge, attitude and perception, between 1 December 2017 and 21 January 2018. The data were analysed with IBM SPSS version 25.0 using descriptive and inferential statistics. The mean age of the participants was 35.9 ± 11.5 years. Four-fifths (80.4%) had a positive attitude towards MC but only 27.2% was actively involved, due to socio-cultural reasons. Knowledge regarding MC was associated with age (p = .023), employment (p = .039) and education (p = .002) – higher among younger-aged professionals with a higher education. Male partners had a positive attitude towards MC but were poorly involved, due to socio-cultural factors. Community health workers and stakeholders should step up community health education with engagement of men to promote their involvement. Impact statement What is already known on this subject? The role of men in maternity care (MC) is well defined and found to improve health outcomes in high income countries. However, their level of participation in a low income country, such as Nigeria, is far below expectation. What do the results of this study add? The result of this work has provided scarce community-based local data on male partners’ involvement in MC. This study showed that majority of males demonstrated a positive attitude but were poorly involved, due to socio-cultural reasons. It also shown that those with a younger age, professionals and those with a higher education were more knowledgeable about MC. This suggests the need for health workers and key players to step up community health education and engagement of men to promote active involvement in women’s health matters. What are the implications of these findings for clinical practice and/or further research? Stakeholders in low resource-settings like Nigeria could introduce interventions to scaling up health education, create the enabling hospital environment to accommodate male partners, actively engage, support and motivate them to be involved in MC. Further research will be required to assess the impact of such interventions and how to sustain potential benefits.
Least Cost Analysis for Biocorrosion Mitigation Strategies in Concrete Sewers

The changing role of the municipal water and wastewater authorities, together with the need for a sustainable maintenance treatment in the sewer systems, have been the catalysts for the integration of technical and financial information into asset management systems. This paper presents results from a cost-comparative analysis focusing on an annuities calculation for the evaluation of microbiologically induced corrosion (MIC) or biocorrosion mitigation methodologies used in the maintenance of concrete sewers. The replacement cost of deteriorated sewer concrete pipes is high, and MIC mitigation methods can be used to increase the current service life of concrete pipes. From the MIC mitigation methods that are frequently used, the authors examined those of flushing with high-pressure water (i.e., a common method used in Greece), and spraying with magnesium hydroxide slurry (MHS). The authors chose four different cities for the assessment, which presented different sewer characteristics and socioeconomic backgrounds. In addition, all methods for concrete sewer MIC mitigation were compared to the present value of replacement of sewer concrete pipes with new PVC ones. Results showed that flushing with high-pressure water is very cost demanding and should be avoided, while spraying with MHS could be a sustainable and economic solution in the long term.
LINEAR HOME RANGES: EFFECTS OF SMOOTHING, SAMPLE SIZE, AND AUTOCORRELATION ON KERNEL ESTIMATES

Simulations are necessary to assess the performance of home-range estimators because the true distribution of empirical data is unknown, but we must question whether that performance applies to empirical data. Some studies have used empirically based simulations, randomly selecting subsets of data to evaluate estimator performance, but animals do not move randomly within a home range. We created an empirically based simulation using a behavioral model, generated a probability distribution from those data, and randomly selected locations from that distribution in a chronological sequence as the simulated individual moved through its home range. Thus, we examined the influence of temporal patterns of space use and determined the effects of smoothing, number of locations, and autocorrelation on kernel estimates. Additionally, home-range estimators were designed to evaluate species that use space with few restrictions, traveling almost anywhere on the landscape. Many species, however, confine their movements .
The Energy Requirements and Performance of Growing Chickens and Turkeys as Affected by Environmental Temperature

Abstract The energy requirements for growth and maintenance were studied in male and female chicks and turkeys, kept in environmental chambers for 4 to 5 weeks following the brooding period. In both species and sexes, the maintenance requirement decreased with constant temperatures from 12 to 24 C, reaching a low between 24 and 28 C, followed by an increase as the temperature was raised further. At 12 C, the maintenance ranged between 2.45 and 2.70 kcal/g2/3, for chicks and turkeys, respectively. Requirements for weight gain averaged 1.87 kcal/g and . 7 kcal/g in chicks and turkeys, respectively. This species difference was explained on the basis of carcass composition. Turkeys fed a high-protein diet had an apparently greater maintenance requirement than those fed a diet appropriate for their age. Weight gain decreased between 19 and 34 C in chicks and between 18 C and 32 C in turkeys. Feeding of a high protein diet tended to reduce but did not overcome the growth depression by temperature. In turkeys, weight gain at 12 C was inferior to that at 18 C for both sexes. The calculated amino acid per kilocalorie dietary requirements for 6-week-old chicks increased with temperature to a peak at 27 C, followed by a decrease as the temperature was raised further.
Consumption of food in the EU by the degree of urbanization: data visualization and cluster analysis of the EU sample

This paper examines the consumption of one of the COICOP classes – food and non-alcoholic beverages – by the degree of urbanization on the sample of EU countries in three periods – 2005, 2010, and 2015. The share of this class in total consumption of cities, towns, and suburbs and rural areas presents the second largest item of the total consumption of all structures in question. They examined the key variable creates an input to the analysis stated in the paper. First, the data visualization is realized by creating maps of scaled consumption of food and non-alcoholic beverages in cities, towns, and suburbs and rural areas in the three periods – 2005, 2010, and 2015. The spatial distribution of data shows, that higher shares of consumption of food and non-alcoholic beverages are obtained in CEE and southern countries in all structures and all periods. Considering that consumption of food and non-alcoholic beverages is negatively correlated with GDP per capita or household expenditure per capita it is possible to conclude that countries with lower levels of GDP per capita spend more on goods of daily use. Second, based on k-means clustering, cluster analysis is stated. Similarities between EU countries in the consumption of food and non-alcoholic beverages by the degree of urbanization and with respect to socioeconomic conditions are investigated. Clusters are made for all three monitored periods. In 2005 and 2010 five clusters were identified, in 2015 their number has been reduced to four. Similarities between EU countries in the consumption of food and non-alcoholic beverages by the degree of urbanization change through time. The delayed effect of the financial crisis may explain observed changes. The obvious relocation of countries is evident when comparing clusters in the period 2010 and 2015. Besides it, the most stabile cluster is the cluster, which contains core EU countries.
Marking bark beetle parasitoids within the host plant with rubidium for dispersal studies

A technique using rubidium chloride (RbCl), a trace element, as internal label is proposed for marking hymenopteran parasitoids attacking a concealed host, Ips typographus L. (Coleoptera: Scolytidae). RbCl was introduced directly into spruce via the vascular system using glass tubing. RbCl passed through the food chain and was detected at the parasitoid level by electrothermal atomic absorption spectroscopy (EAAS) or flame emission spectroscopy (FES). Mark persistency until day 8 after emergence was tested in labelled Rhopalicus tutela (Walker) (Hymenoptera: Pteromalidae). The mark decreased with time only in fed females, probably due to excretion and/or egg resorption. The proportion of marked males did not vary with time or treatment.
Essential Role of Fcγ Receptors in Anti-Type II Collagen Antibody-Induced Arthritis

Anti-type II collagen (anti-CII) Ab is a well-known autoantibody observed in patients with rheumatoid arthritis. Injection of anti-CII Ab and LPS induces arthritis in mice in which anti-CII Ab as well as inflammatory cytokines, IL-1β and TNF-α, play critical roles. We investigated the involvement of IgG FcRs (FcγRs) in this arthritis model. BALB/c mice injected with the F(ab′)2 of anti-CII Ab showed no signs of arthritis. Arthritis development was not observed in FcRγ−/− mice and was partially suppressed in FcγRIII−/− mice despite the binding of anti-CII Ab and C3 to cartilage surface. Surprisingly, BALB/c mice lacking FcγRIIB, which is known as an inhibitory FcγR, developed arthritis with no exacerbation in arthritis score compared with wild-type (WT) mice, and only slight exacerbation was observed in the histopathological analysis. In contrast, aged FcγRIIB−/− BALB/c mice developed arthritis without LPS injection, suggesting an augmented susceptibility to arthritis in aged FcγRIIB−/− mice. No significant difference was observed among BALB/c-WT, -FcRγ−/−, and -FcγRIIB−/− mice on cytokine production induced by anti-CII Ab and LPS injection. Severe arthritis developed in BALB/c-WT and -FcγRIIB−/− mice, but not in BALB/c-FcRγ−/− mice, after the injection of anti-CII Ab and inflammatory cytokines. These results suggest that the reason behind the nondevelopment of arthritis in FcRγ−/− BALB/c mice is not due to a disorder in transient cytokine production, but to an irregularity downstream of cytokine production.
A new PARAFAC-based algorithm for HPLC-MS data treatment: herbal extracts identification.

INTRODUCTION Role of highly informative high-performance liquid chromatography mass spectrometry (HPLC-MS) methods in quality control is increasing. Complex herbal products and formulations can simultaneously contain extracts from different plants. Therefore, due to the leads to lack of commercial standards it is important to develop novel approaches for comprehensive treatment of big datasets. OBJECTIVE The aim of this study is to create a straightforward and information-saving algorithm for the identification of plants extracts in commercial products. MATERIAL AND METHODS In total, 34 samples, including Glycyrrhiza glabra and Panax ginseng dried roots; and Abrus precatorius dried leaves, their double and triple mixtures and flavoured oolong tea samples were analysed by HPLC-MS and combined in a three-dimensional dataset (retention time-mass-to-charge ratio (m/z)-samples). This dataset was subjected to smoothing and denoising techniques and further decomposed using parallel factor analysis (PARAFAC). RESULTS Samples were divided into eight clusters; loading matrices were interpreted and the presence of the most characteristic triterpene glycoside groups was demonstrated and supported by the characteristic chromatogram approach. The occurrence of Abrus precatorius and G. glabra additives in flavoured tea was confirmed. CONCLUSION Developed HPLC-MS-PARAFAC method is potentially reliable and an efficient tool for handling untreated experimental data and its future development may lead to more comprehensive evaluation of chemical composition and quality control of food additives and other complex mixtures.
Models in Biology

Zebrafish are "in" right now. Recently, an entire issue of Development [December 1996] was devoted to the results of an extensive drive to identify several thousand new mutations in the zebrafish Danio rerio. One of the teams was led by Janni Nusslein-Volhard who has already won the Nobel Prize for a similar project on fruit flies (Holder & McMahon 1996). She and her colleagues specifically chose zebrafish for their study because they wanted a vertebrate model for development in which the biology of the organism was well understood and mass screening for mutants is possible (Brown 1997). The zebrafish was chosen because it is easily bred under laboratory conditions; it is small-only an inch long-so it is relatively easy to produce the thousands of specimens the researchers needed. It is the combination of the clear visibility of the early stages of development plus relatively easy mutability that makes the zebrafish so attractive (Roush 1996a). Recent work indicates that the early stages of zebrafish development are similar to those in other vertebrates, an important characteristic if this fish is to be used as a model of vertebrate development. Wade Roush (1996b) reports that the zebrafish is making outmoded