Miracle-dz/UniFAR-FTUs huggingface dataset:
First-principles studies of gas hydrates and clathrates under pressure

Gas hydrates are molecular host-guest mixtures where guest gas species are encapsulated in host water networks. They play an important role in gas storage in aqueous environments at relatively low pressures, and their stabilities are determined by weak interactions of the guest species with their respective host water frameworks. Thus, the size and the amount of the guest species vary, depending on the size of the empty space provided by the host water structures. The systems studied here are noble gas (He, Ne, Ar) and diatomic (H2) hydrates. Because of the similarity of the guests’ sizes between the noble gases and the di-atomic gases, the noble gas hydrates act as simple models for the di-atomic gas hydrates. For example, He, Ne and H2 have approximately the same size. Density functional theory calculations are used to obtain the ground state formation enthalpies of each gas hydrate, as a function of host network, guest stoichiometry, and pressure. Dispersion e↵ects are investigated by comparing various dispersion corrections in the exchange-correlation functionals (semi-local PBE, semi-empirical D2 pair correction, and non-local density functionals i.e. vdW-DF family). Results show that the predicted stability ranges of various phases agree qualitatively, although having quantitative di↵erence, irrespective of the methods of the dispersion corrections in the exchange-correlation functionals. Additionally, it is shown in gas-water dimer interaction calculations that all DFT dispersion-corrected functionals overbind significantly than the interaction acquired by the coupled-cluster calculations, at the CCSD(T) level, which is commonly accepted to provide the most accurate estimation of the actual interaction energy. This could lead to an overestimation of the stability of the hydrate mixtures. Further study in the gas-water cluster indicates that less overbinding e↵ect is found in the cluster than in the dimer. This implies that the overbinding energy caused by DFT might become less pronounce in the solid phase.
Understanding entity shared product usage: an innovation-adoption coupling model

PurposeConsumer adoption of shared products is a prerequisite for successful commercialization. The purpose of this paper is to explore what innovative characteristics of entity shared products can accommodate consumers' concerns and are likely to motivate adoption of consumers.Design/methodology/approachThis paper used a conceptual model that combined the innovation diffusion theory and technology acceptance model to explore shared products adoption. It identified the direct and indirect effects of perceived app ease of use/online, perceived convenience of access/offline, perceived utility advantages and personal innovativeness on shared products adoption intention. Structural equation modeling was used for analyzing the questionnaire data from a sample of 479 users who used entity shared products such as shared cars, shared bicycles and shared power banks for mobile phones.FindingsThe empirical tests indicate that perceived utility advantages based on market innovation, perceived accessibility of usage rights based on technology innovation (including perceived app ease of use/online and perceived convenience of access/offline) and consumer personal innovativeness are the key factors affecting consumer adoption.Originality/valueThis paper constructs an innovation-adoption coupling model of entity shared products to understand shared products usage. The findings provide useful practical guidance for the design and development of shared products and “usage rights economy” business applications.
Time-Limited Eating and Continuous Glucose Monitoring in Adolescents with Obesity: A Pilot Study

Due to its simplicity, time-limited eating (TLE) may represent a more feasible approach for treating adolescents with obesity compared to other caloric restriction regimens. This pilot study examines the feasibility and safety of TLE combined with continuous glucose monitoring (CGM) in adolescents. Fifty adolescents with BMI ≥95th percentile were recruited to complete a 12-week study. All received standard nutritional counseling, wore a CGM daily, and were randomized to: (1) Prolonged eating window: 12 h eating/12 h fasting + blinded CGM; (2) TLE (8 h eating/16 h fasting, 5 days per week) + blinded CGM; (3) TLE + real-time CGM feedback. Recruitment, retention, and adherence were recorded as indicators of feasibility. Weight loss, dietary intake, physical activity, eating behaviors, and quality of life over the course of the intervention were explored as secondary outcomes. Forty-five participants completed the study (16.4 ± 1.3 years, 64% female, 49% Hispanic, 75% public insurance). There was high adherence to prescribed eating windows (TLE 5.2 d/wk [SD 1.1]; control 6.1 d/wk [SD 1.4]) and daily CGM wear (5.85 d/wk [SD 4.8]). Most of the adolescents (90%) assigned to TLE reported that limiting their eating window and wearing a CGM was feasible without negative impact on daily functioning or adverse events. There were no between-group difference in terms of weight loss, energy intake, quality of life, physical activity, or eating behaviors. TLE combined with CGM appears feasible and safe among adolescents with obesity. Further investigation in larger samples, with a longer intervention duration and follow-up assessments are needed.
Long-Term Outcomes of Endoscopic Gallbladder Drainage for Cholecystitis in Poor Surgical Candidates: An Updated Comprehensive Review

Laparoscopic cholecystectomy is the standard and fundamental treatment of choice for acute cholecystitis; however, there are cases in which patients may be poor surgical candidates due to advanced age, comorbidities, and/or general condition. The rate of recurrent cholecystitis is high in patients who are not surgically treated; therefore, the prevention of recurrence in this patient population is an important subject of investigation in the management of cholecystitis. Although it has recently been reported that long-term stent placement by endoscopic gallbladder stenting or endoscopic ultrasound-guided gallbladder drainage may reduce the recurrence rate, its efficacy and safety remain controversial. Additionally, details surrounding the long-term stent management of these treatment methods should be further investigated. In this review, we summarize the updated evidence regarding the usefulness of long-term stent placement with endoscopic gallbladder stenting or endoscopic ultrasound-guided gallbladder drainage as a preventive measure for recurrence of cholecystitis and discuss issues that should be addressed in future studies.
EFFECTS OF COCENTRATE RICH OMEGA-3 SUPPLEMENTATION ON THEPROFILE OF CHOLESTEROL, LIPOPROTEIN, AND TRIGLYCERIDE OF BLOOD SERUM IN FILIAL ETAWAH GOAT

Effects of Concentrate rich Omega-3 supplementation on the profile of blood serum cholesterol, high density Lipoprotein (HDL) and Low Density Lipoprotein (LDL), and triglyceride in Filial Etawah goat was investigated. Totally 12 male filial Etawah goat averaging one year of old were used as an experimental animals, and divided into three groups. All groups received grass silage; However, P0 was supplemented by concentrate feed containing 3.9% Omega-3, P1 and P2 receiving concentrate rich Omega-3 about 5.1%, except P2 was added with mineral lick. After treated with different rations for 1 month, the blood were collected from each animal by using vacuum tube without coagulant. The blood were centrifuged with 2500 rpm for 30 min to collect blood serum for analysis blood biochemistry profile, include cholesterol, HDL, LDL, and triglyceride based on Chemistry Analyzer methods. Result research were obtained that blood serum biochemistry analysis in filial Etawah goat showed not significantly (p>0.05) different of cholesterol, HDL, LDL, and triglyceride levels among treatments group, however, these values were in the normal range. In the research, blood serum cholesterol level about 32.05 to 41.18 mg/dl, HDL level about 18.75 to 46 mg/dL, LDL level ranged 12.00 to 12.75 mg/dL, and triglyceride level about 8.50 to 10.80 mg/dL. Conclusion of the research were indicate that supplementation of concentrate feed rich Omega-3 to filial Etawah goat received grass silage with or without mineral lick could maintain the levels of blood serum cholesterol, HDL, LDL, and triglyceride in the normal ranged, that it be supported the long life and healthier of filial Etawah goat.
Role of Probiotics in Aquaculture : Importance and Future Guidelines

An alternative approach to manage fish health that is fast gaining attention in the aquaculture industry is probiotics, a microbial intervention approach. Probiotics have shown that they can help to increase fish growth by enhancing the feed conversion efficiency, as well as confer protection against harmful bacteria by different modes of action. The present paper shows the current knowledge of the use of probiotics in aquaculture, particularly focusing on their modes of action such as spatial and nutritional emulation, inhibitory metabolites, immunomodulation and stress-alleviating mechanism.Journal of Bangladesh Academy of Sciences, Vol. 42, No. 1, 105-109, 2018
Physical and chemical characterization of aerosol in fresh and aged emissions from open combustion of biomass fuels

Abstract Biomass burning (BB) emissions and their atmospheric oxidation products can contribute significantly to direct aerosol radiative forcing of climate. Limited knowledge of BB organic aerosol chemical and optical properties leads to large uncertainties in climate models. In this article, we describe the experimental setup and the main findings of a laboratory BB study aimed at comprehensive optical, physical, and chemical characterization of fresh and aged BB emissions. An oxidation flow reactor (OFR) was used to mimic atmospheric oxidation processes. The OFR was characterized in terms of OH⋅ production rate, particle transmission efficiency, and characteristic lifetimes of condensible compounds. Emission factors (EFs) of main air pollutants (particulate matter, organic carbon [OC], elemental carbon [EC], carbon monoxide [CO], and nitrogen oxides [NOx]) were determined for five globally and regionally important biomass fuels: Siberian (Russia), Florida (USA), and Malaysian peats; mixed conifer and aspen fuel from Fishlake National Forest, Utah, USA; and mixed grass and brush fuel representative of the Great Basin, Nevada, USA. Measured fuel-based EFs for OC ranged from 0.85 ± 0.24 to 6.56 ± 1.40 mg g−1. Measured EFs for EC ranged from 0.02 ± 0.01 to 0.16 ± 0.01 mg g−1. The ratio of organic mass to total carbon mass for fresh emissions from these fuels ranged from 1.04 ± 0.04 to 1.34 ± 0.24. The effect of OFR aging on aerosol optical properties, size distribution, and concentration is also discussed. Copyright © 2018 American Association for Aerosol Research
Improving Hydrophilicity of Polyethersulfone Membrane Using Silver Nanoparticles for Humic Substances Removal

Silver-impregnated membrane was facilely prepared by ex situ silver nanoparticles (NPs) blending method using polyethersulfone (PES) as the base polymer. A total of three membranes [F1(S0), F2(S0.5) and F3(S2.0)] were fabricated at different weight percentages of polymer and silver (Ag) loadings to compare their effects on membrane morphological and performance properties. All membrane types were characterized using scanning electron microscope (SEM), energy-dispersive X-ray, Fourier-transform infrared spectroscopy, zeta potential analyzer and contact angle analysis. Characterization data and background theories from the literature were used to study and relate the effect of silver nanoparticles (AgNPs) on the physicochemical properties of the PES/Ag composite membranes with respect to pure water permeability, structural property, surface charge and surface hydrophilicity. Solute rejection performance and antibacterial property of the PES/Ag composite membranes were performed using humic acid (HA) and Escherichia coli (E. Coli) bacteria. The results showed that the membrane with the highest Ag loading (F3) exhibited the highest pure water permeability among all the composite membranes. This phenomenon could be attributed to the morphological changes of the membrane due to the addition of Ag. In this study, contact angle of the membranes showed decreasing trend with the addition of Ag as well as the increase in Ag loading. On the contrary, pore radius of the membranes was found increased with increasing in Ag loading. Owing to this, the F3 membrane demonstrated relatively lower HA rejection (i.e. 89.55%) compared to the pure PES membrane. In terms of the antibacterial performance evaluation, one can confidently state that the membranes with the addition of Ag showed excellent property in biofouling mitigation based on numerous dead E. coli observed on the membrane surface under SEM analysis.
A Study of Compressibility, Compactability and Mucoadhesivity of Tableting Materials for Matrix Systems Based on Chitosan

The objective of the present research is to evaluate directly compressible chitosan-based tableting materials for the formulation of mucoadhesive matrix tablets intended for targeted drug release to distal segments of the GIT. The influence of sodium alginate, hypromellose, and silicified microcrystalline cellulose (P90) on compressibility, compactability and lubricant sensitivity ratio was tested. Furthermore, the rheological properties of the hydrated surface layer of the matrix tablets and the mucoadhesion to a mucin substrate were analysed. Compressibility was evaluated using the energy profile of the compression process, compactability by means of the tensile strength of tablets, and lubricant sensitivity ratio was calculated to assess the sensitivity to lubricant. Addition of P90 to chitosan improved compressibility, which is demonstrated by the increase in the energy of plastic deformation and the higher tensile strength of tablets. P90 also significantly reduced the high lubricant sensitivity of chitosan. Presence of retarding components led to a decrease in Emax. All tested matrix tablets revealed a good mucoadhesion without a negative effect of P90 content. The viscosity of a gel layer on the surface of matrix tablets containing hypromellose was higher compared to those with sodium alginate. This was not reflected in the adhesive strength of the tablets. The formulated tableting materials combining chitosan and P90 are a suitable matrix for incorporation of an active ingredient, whose delayed release in the intestine can be achieved by the functionality of the chitosan-sodium alginate complex.
Yeast stress and death caused by the synergistic effect of ethanol and SO2 during the second fermentation of sparkling wines

Problems can often arise at the beginning of the second fermentation (prise de mousse) of sparkling wines, such as no start, a long lag period or slow fermentation. These problems are generally associated with yeast stress when inoculated in a base wine with high ethanol content and low pH. However, few studies focus on sulphites, which are often added to base wines to prevent malolactic fermentation, microbiological instability, and wine oxidation. This study aimed to evaluate the joint effect of ethanol and sulfur dioxide on yeasts during the second fermentation. For this purpose, yeasts (Saccharomyces cerevisiae EC1118) were subjected to ethanol, sulfur dioxide and ethanol/sulfur dioxide at the beginning of fermentation, and their vitality and viability, as well as the accumulation of intracellular reactive oxygen species and intracellular pH, were evaluated by flow cytometry. Furthermore, the expression of genes involved in sulfur transport and metabolism was determined. The results showed high mortality, ROS accumulation and intracellular pH reduction in fermentations with both ethanol and sulfur dioxide. The negative effect of ethanol, sulfur dioxide and ethanol/sulfur dioxide on yeasts was found to be dose-dependent and high in those commonly found in some base wines. Cells treated with ethanol/sulfur dioxide showed over-expression of genes involved in sulphite transport (SUL1 and SUL2), efflux pump (SSU1 and FZF1) and metabolism of sulfur amino acids (MET14). Altogether, our data indicate that ethanol and sulfur dioxide have a synergistic effect on yeasts, which may be the root cause of the problems encountered at the beginning of the second fermentation of sparkling wines, and should thus be seriously taken into consideration by winemakers.
Serum Calprotectin a Potential Biomarker in Juvenile Idiopathic Arthritis: A Meta-Analysis

Juvenile idiopathic arthritis (JIA) is the most common inflammatory chronic disease affecting children and adolescents. Today, there are no specific biomarkers of inflammation. Therefore, it is important to identify new markers as predictors of disease activity. Recently, some researchers have directed their interest toward a protein, calprotectin (CLP), as a potential biomarker. The primary objective of our systematic review and meta-analysis was to analyze the possible role of CLP in JIA. Method: A literature search was conducted using PubMed, EMBASE, Scopus, Science Direct on 10 August 2021. The selection of studies was made using the PRISMA 2020 guidelines. Cohen’s d with 95% CI and p-value were used as a measure of effect size. The random effects model was used to account for different sources of variation among studies. Heterogeneity was assessed using Q statistics and I2. The publication bias was analyzed and represented by a funnel plot, and funnel plot symmetry was assessed with Egger’s test. Results: Our results at follow-up showed a statistically significant difference between patients with active disease compared to patients with inactive disease: 0.39 (0.16; 0.62), p = 0.001; without statistical heterogeneity. Another important aspect that emerged were the differences between the systemic disease form and any form of inactive disease showing a different concentration of calprotectin: 0.74 (0.40; 1.08), p < 0.001; without statistical heterogeneity. On the other hand, meta-regression analyses performed on gender, age, duration of disease, percentage of patients with ANA+ or RF+, medium value of ESR or CRP were not statistically significant. A statistically significant difference in serum calprotectin concentration between patients with JIA and healthy controls were observed. In fact, it presented lower values in the control group. Conclusions: The use of serum CLP could represent, in the future, a useful tool in JIA in order to stratify disease activity more accurately and may aid a more tailored approach to drug of choice in children with JIA. Further studies are needed to evaluate CLP as a predictor of flare in combination with other potential biomarkers of subclinical disease activity.
Urinary Metabolomic Profile of Neonates Born to Women with Gestational Diabetes Mellitus

Gestational diabetes mellitus (GDM) is one of the most frequent pregnancy complications with potential adverse outcomes for mothers and newborns. Its effects on the newborn appear during the neonatal period or early childhood. Therefore, an early diagnosis is crucial to prevent the development of chronic diseases later in adult life. In this study, the urinary metabolome of babies born to GDM mothers was characterized. In total, 144 neonatal and maternal (second and third trimesters of pregnancy) urinary samples were analyzed using targeted metabolomics, combining liquid chromatographic mass spectrometry (LC-MS/MS) and flow injection analysis mass spectrometry (FIA-MS/MS) techniques. We provide here the neonatal urinary concentration values of 101 metabolites for 26 newborns born to GDM mothers and 22 newborns born to healthy mothers. The univariate analysis of these metabolites revealed statistical differences in 11 metabolites. Multivariate analyses revealed a differential metabolic profile in newborns of GDM mothers characterized by dysregulation of acylcarnitines, amino acids, and polyamine metabolism. Levels of hexadecenoylcarnitine (C16:1) and spermine were also higher in newborns of GDM mothers. The maternal urinary metabolome revealed significant differences in butyric, isobutyric, and uric acid in the second and third trimesters of pregnancy. These metabolic alterations point to the impact of GDM in the neonatal period.
Magnetic-activated cell sorting of nonapoptotic spermatozoa with a high DNA fragmentation index improves the live birth rate and decreases transfer cycles of IVF/ICSI

The present study aimed to evaluate the clinical outcomes of magnetic-activated cell sorting (MACS) in sperm preparation for male subjects with a sperm DNA fragmentation index (DFI) ≥30%. A total of 86 patients who had undergone their first long-term long protocol were selected. The protocol involved in vitro fertilization (IVF) and intracytoplasmic sperm injection (ICSI) cycles, and the patients were divided into the MACS or control groups. The MACS group included sperm samples analyzed with MACS that were combined with density gradient centrifugation (DGC) and the swim-up (SU) technique (n = 39), and the control group included sperm samples prepared using standard techniques (DGC and SU; n = 41). No differences were noted with regard to basic clinical characteristics, number of oocytes retrieved, normal fertilization rate, cleavage rate, or transplantable embryo rate between the two groups in IVF/ICSI. In addition, the clinical pregnancy and implantation rates of the first embryo transfer cycles indicated no significant differences between the two groups. However, there was a tendency to improve the live birth rate (LBR) of the first embryo transfer cycle (63.2% vs 53.9%) and the cumulative LBR (79.5% vs 70.7%) in the MACS group compared with the control group. Moreover, the number of transferred embryos (mean ± standard deviation [s.d.]: 1.7 ± 0.7 vs 2.3 ± 1.6) and the transfer number of each retrieved cycle (mean ± s.d.: 1.2 ± 0.5 vs 1.6 ± 0.8) were significantly lower in the MACS group than those in the control group. Thus, the selection of nonapoptotic spermatozoa by MACS for higher sperm DFI could improve assisted reproductive clinical outcomes.
Measurement and Evaluation of the Efficiency and Total Productivity of Dairy Farms in Poland

The aim of the article is to measure and evaluate the economic and technical efficiency as well as the total productivity of dairy farms in Poland. The research used data from the Polish FADN. The analysis covered the years 2008–2017. The study group consisted of 730 farms. An iteration-optimization method, k-means clustering, non-parametric DEA method, and aggregated Färe–Primont indexes were used to achieve the goal. The conducted research allowed for the distinction of four types of dairy farms with different levels of economic efficiency. We prove that the costs of labor, energy, maintenance of machines and buildings, fodder, depreciation, and overheads, as well as agricultural land, affect the technical efficiency and total productivity of dairy farms. We also prove that over the analyzed years, technical efficiency decreased in all groups of dairy farms, while the Färe–Primont index of total productivity changes slightly increased. The validity of these studies and their practical significance result from the need to improve the competitiveness of dairy farms and increase their profitability. Our research fills a gap in research on measuring and evaluating the efficiency and productivity of dairy farms, and at the same time represents an original approach to the studied phenomenon. Moreover, it allows for the explanation of differences in the effectiveness of different types of dairy farms, providing useful information for the design of effective targeted policy interventions to improve the competitiveness of the Polish dairy sector. There are opportunities to improve both the technical efficiency and productivity of dairy farms in Poland. This increase will be possible thanks to the improvement of agricultural advisory services and ensuring that farmers participate in training in proper nutrition, reproduction, milk marketing and other management skills.