Miracle-dz/UniFAR-FTUs huggingface dataset:
The Effects of Scaling and Model Complexity in Simulating the Transport of Inorganic Micropollutants in a Lowland River Reach

A hypothesis stating that more complex descriptions of processes in models simulate reality better (less error) but with more unreliable predictability (more sensitivity) is tested using a river water quality model. This hypothesis was extended stating that applying the model on a domain of smaller scale requires greater complexity to capture the same accuracy as in largescale model applications which, however, leads to increased model sensitivity. The sediment and pollutant transport model TOXI, a module in the WASP5 package, was applied to two case studies of different scale: a 90-km course of the 5 th order (sensu Strahler 1952) lower Saale river, Germany (large scale), and the lock-and-weir system at Calbe (small scale) situated on the same river course. A sensitivity analysis of several parameters relating to the physical and chemical transport processes of suspended solids, chloride, arsenic, iron and zinc shows that the coefficient, which partitions the total heavy metal mass into its dissolved and sorbed fraction, is a very sensitive parameter. Hence, the complexity of the sorptive process was varied to test the hypotheses.
Simulation of Gas Flow Pattern and Separation Efficiency in Cyclone with Conventional Single and Spiral Double Inlet Configuration

The numerical simulation of the fluid flow and particle dynamics is presented by CFD technique to characterize the performance of two types of cyclones with the conventional single inlet (SI) and spiral double inlets (DI), respectively. The Reynolds-averaged Navier-Stokes equations with the Reynolds stress turbulence model (RSM) for fluid flow are solved by use of the finite volume method based on the SIMPLE pressure correction algorithm in the fluid computational domain. A Lagrangian method is employed to track the particle motion and calculate the gas–particle separation efficiency in the cyclones. According to the computational results, the differences of pressure, velocity and turbulence parameters of the gas flow are described to address the effects of the inlet geometry on the flow pattern of cyclones. Especially for the tangential velocity distribution, a key flow parameter in cyclones, are analysed using the classical Rankine vortex theories. Furthermore, the separation performances of cyclones are predicted, with the comparison of experimental data and theoretical model. The results indicate that the CFD method can effectively reveal the mechanism of gas–particle flow and separation in cyclone with different inlet configuration.
Low-Density Lipoprotein Cholesterol Is Associated With Insulin Secretion

Abstract Context Pharmacological lowering of low-density lipoprotein (LDL) cholesterol potently reduces cardiovascular risk while concurrently increasing type 2 diabetes risk. Objective The aim of this study was to investigate the relationship between LDL cholesterol concentrations and insulin secretion and glucagon levels. Methods A total of 3039 individuals without cholesterol-lowering therapy, but with increased risk for diabetes, underwent routine blood tests and a 5-point oral glucose tolerance test (OGTT). Glucagon concentrations, insulin secretion, and insulin clearance indices were derived from the OGTT. Results There was no association between LDL cholesterol and fasting glucagon (P = .7, β = –.01) or post–glucose load glucagon levels (P = .7, β = –.07), but we detected significant positive associations of LDL cholesterol and C-peptide–based indices of insulin secretion (area under the curve [AUC]C-Peptide(0-30min)/AUCGlucose(0-30min): P < . 001, β = . 06; AUCC-Peptide(0-120min) /AUCGlucose(0-120min): P < . 001, β = –. 08). In contrast, we found a negative association of insulin-based insulin secretion indices with LDL concentrations (insulinogenic index: P = .01, β = –.04; disposition index: P < .001, β = –.06). LDL cholesterol levels, however, were positively associated with insulin clearance assessed from C-peptide and insulin concentrations, both in the fasting state and post–glucose load (P < .001, β = .09 and P < .001, β = .06, respectively). Conclusion As C-peptide based indices reflect insulin secretion independent of hepatic clearance, our results indicate lower insulin secretion in case of lesser LDL cholesterol. This could explain deteriorating glycemic control in response to cholesterol-lowering drugs.
Sex difference in ambulatory blood pressure control associates with risk of ESKD and death in CKD patients receiving stable nephrology care.

BACKGROUND It is unknown whether faster progression of chronic kidney disease (CKD) in men than in women relates to differences in ambulatory blood pressure (ABP) levels. METHODS We prospectively evaluated 906 hypertensive CKD patients (553 men) regularly followed in renal clinics to compare men versus women in terms of ABP control [daytime <135/85 and nighttime blood pressure (BP) <120/70 mmHg] and risk of all-cause mortality and end-stage kidney disease (ESKD). RESULTS Age, estimated glomerular filtration rate and use of renin-angiotensin system inhibitors were similar in men and women, while proteinuria was lower in women [0.30 g/24 h interquartile range (IQR) 0.10-1.00 versus 0.42 g/24 h, IQR 0.10-1.28, P = 0.025]. No sex-difference was detected in office BP levels; conversely, daytime and nighttime BP were higher in men (134 ± 17/78 ± 11 and 127 ± 19/70 ± 11 mmHg) than in women (131 ± 16/75 ± 11, P = 0.005/P < 0.001 and 123 ± 20/67 ± 12, P = 0.006/P < 0.001), with ABP goal achieved more frequently in women (39.1% versus 25.1%, P < 0.001). During a median follow-up of 10.7 years, 275 patients reached ESKD (60.7% men) and 245 died (62.4% men). Risks of ESKD and mortality (hazard ratio and 95% confidence interval), adjusted for demographic and clinical variables, were higher in men (1.34, 1.02-1.76 and 1.36, 1.02-1.83, respectively). Adjustment for office BP at goal did not modify this association. In contrast, adjustment for ABP at goal attenuated the increased risk in men for ESKD (1.29, 0.98-1.70) and death (1.31, 0.98-1.77). In the fully adjusted model, ABP at goal was associated with reduced risk of ESKD (0.49, 0.34-0.70) and death (0.59, 0.43-0.80). No interaction between sex and ABP at goal on the risk of ESKD and death was found, suggesting that ABP-driven risks are consistent in males and females. CONCLUSIONS Our study highlights that higher ABP significantly contributes to higher risks of ESKD and mortality in men.
Adsorption Properties of Pomelo Peels against Methylene Blue in Dye Wastewater

Pomelo peel was chosen as adsorbent to treat the simulated dye wastewater with methylene blue. The research results showed the removal rate of 140mg/L methylene blue solution with 100mL could reach more than 83% under the optimum conditions, which were as follows: 0.4g pomelo peels powder, reaction temperature 30°C, pH value 8 and oscillating time 60min.Theoretical saturation absorptive capacity of pomelo peel was 133mg/g at 30°C.The whole adsorption process can be well described by the Langmuir and Temkin isothermal adsorption equation and secondary adsorption rate equations.
The dimeric Golgi protein Gorab binds to Sas6 as a monomer to mediate centriole duplication

The duplication and ninefold symmetry of the Drosophila centriole requires that the cartwheel molecule, Sas6, physically associates with Gorab, a trans-Golgi component. How Gorab achieves these disparate associations is unclear. Here, we use hydrogen–deuterium exchange mass spectrometry to define Gorab’s interacting surfaces that mediate its subcellular localization. We identify a core stabilization sequence within Gorab’s C-terminal coiled-coil domain that enables homodimerization, binding to Rab6, and thereby trans-Golgi localization. By contrast, part of the Gorab monomer’s coiled-coil domain undergoes an antiparallel interaction with a segment of the parallel coiled-coil dimer of Sas6. This stable heterotrimeric complex can be visualized by electron microscopy. Mutation of a single leucine residue in Sas6’s Gorab-binding domain generates a Sas6 variant with a sixteenfold reduced binding affinity for Gorab that cannot support centriole duplication. Thus, Gorab dimers at the Golgi exist in equilibrium with Sas6-associated monomers at the centriole to balance Gorab’s dual role.
Scale-Up and Optimization in Preparative Chromatography

Presenting guidelines for predicting and improving separation system performance, this book contains numerous case studies illustrating the practice of scale-up principles in process development. It offers solutions to limitations that occur in real-world purification schemes; methods to model, optimize, and characterize nonlinear separation processes; data comparisons from all stages of production; and industrial separation schemes for products such as synthetic molecules, antibody fragments, IgG, growth factors, and plasmid DNA. The book covers external constraints, separation economics, correlations for transport and kinetic phenomena, and the configuration and parameters of column design.
Local Foods Can Increase Adequacy of Nutrients Other than Iron in Young Urban Egyptian Women: Results from Diet Modeling Analyses

ABSTRACT Background Nutrition transition and recent changes in lifestyle in Middle Eastern countries have resulted in the double burden of malnutrition. In Egypt, 88% of urban women are overweight or obese and 50% are iron deficient. Their energy, sugar, and sodium intakes are excessive, while intakes of iron, vitamin D, and folate are insufficient. Objective This study aimed to formulate dietary advice based on locally consumed and affordable foods and determine the need for fortified products to meet the nutrient requirements of urban Egyptian women. Methods Food intakes were assessed using a 4-d food diary collected from 130 urban Egyptian women aged 19–30 y. Food prices were collected from modern and traditional markets to calculate diet cost. Population-based linear and goal programming analyses (Optifood tool) were used to identify “limiting nutrients” and to assess whether locally consumed foods (i.e., consumed by >5% of women) could theoretically improve nutrient adequacy at an affordable cost (i.e., less than or equal to the mean diet cost), while meeting recommendations for SFAs, sugars, and sodium. The potential of hypothetical fortified foods for improving intakes of micronutrients was also assessed. Results Iron was the most limiting nutrient. Daily consumption of fruits, vegetables, milk or yogurt, meat/fish/eggs, and tahini (sesame paste) were likely to improve nutrient adequacy for 11 out of 12 micronutrients modeled. Among fortified foods tested, iron-fortified rice, milk, water, bread, or yogurt increased the minimized iron content of the modeled diet from 40% to >60% of the iron recommendation. Conclusions A set of dietary advice based on locally consumed foods, if put into practice, can theoretically meet requirements for most nutrients, except for iron for which adequacy is harder to achieve without fortified products. The acceptability of the dietary changes modeled needs evaluation before promoting them to young Egyptian women.
A synthetic small molecule stalls pre-mRNA splicing by promoting an early-stage U2AF2–RNA complex

Dysregulated pre-mRNA splicing is an emerging Achilles heel of cancers and myelodysplasias. To expand the currently limited portfolio of small molecule drug leads, we screened for chemical modulators of the U2AF complex, which nucleates spliceosome assembly and is mutated in myelodysplasias. A hit compound specifically enhanced RNA binding by a U2AF2 subunit. Remarkably, the compound inhibits splicing of representative substrates in cells and stalls spliceosome assembly at the stage of U2AF function. In silico docking, together with structure-guided mutagenesis, indicates that the compound bridges an active conformation of the U2AF2 RNA recognition motifs via hydrophobic and electrostatic moieties. Altogether, our results highlight the potential of trapping early spliceosome assembly as an effective pharmacological means to manipulate pre-mRNA splicing. By extension, we suggest that stabilizing inactive checkpoints may offer a breakthrough approach for small molecule inhibition of multi-stage macromolecular assemblies.
Novel Thermotropic Esters-Based Polymers with Broad Nematic Processing Windows

In this study, a new series of semiflexible liquid crystalline (LC) polyesters and poly(ester-amide)s were synthesized and characterized. Polymers based on 4-hydroxybenzoic acid (4-HBA), 6-hydroxy-2-naphthoic acid (HNA), suberic acid (SUA), and sebacic acid (SEA) were modified with hydroquinone (HQ) and different concentrations of 4-acetamidophenol (AP) to obtain a polyester and two poly(ester-amide)s, respectively. All polymers were successfully prepared using conventional melt-condensation techniques. The polymers were characterized by inherent viscosity measurements, SEC, hot-stage polarizing microscopy, DSC, and TGA. The mechanical behavior was investigated using DMTA and tensile testing. All linear polymers have Tgs in the range of 50–80 °C and melt between 120 and 150 °C. Our polymers display good thermooxidative stabilities (5% wt loss at ∼ 400 °C) and exhibit homogeneous nematic melt behavior over a wide temperature range (ΔN ∼ 250 °C). The liquid crystal phase was lost when high concentrations of nonlinear monomers such as 3-HBA (>27 mol %) and resorcinol (RC) (>23 mol %) were incorporated. The LC polyester based on 4-HBA/HNA/HQ/SUA/SEA could easily be processed into good quality films and fibers. The films display good mechanical properties (E′ ∼ 4 GPa) and high toughness, that is, ∼ 15% elongation at break, at room temperature. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 6565–6574, 2008
Simultaneous adsorption and bioaccumulation: A study on continuous mass transfer in column reactor

Zinc sequestering bacteria VMSDCM accession number HQ108109, was immobilized on particles of Cedrus deodar sawdust in continuous column reactor. The bacterium seemed to cluster up with arsenite oxidizing bacteria when plotted in a maximum likelihood tree. The rough texture of the immobilized bacterium indicated the presence of tremendous area on the cell surface. The uptake capacities obtained at saturation and break points for a flow rate of 109 mL/h were 21.33 (g/g) and 19.53 (g/g) at 33.90 g/L of zinc. The uptake capacities at saturation and break points were 58.30 (g/g), and 54.33 (g/g) at an initial concentration of 70.20 g/L of zinc, respectively. The insignificant values of error functions (SSE and χ2) indicated the collateral relationship between experimental and theoretical values of uptake capacities. The physical process parameters like bed height, flow rate, and initial metal ion concentration have shown significant impact on forced convective mass transfer of metal ions in packed bed column studies. © 2012 American Institute of Chemical Engineers Environ Prog, 32: 605–614, 2013
Time-resolved infrared absorption measurements of product formation in Cl atom reactions with alkenes and alkynes

The reactions of Cl with hydrocarbons have been the subjects of study since the early days of experimental chemical kinetics. The reactions of Cl atoms with alkanes are prototypical atom abstractions; the reactions with alkenes and alkynes display a richer chemistry because of the possibility of addition to form a chlorinated hydrocarbon radical. This review discusses recent infrared absorption investigations of the reactions of Cl with unsaturated hydrocarbons, with an emphasis on deconvolution of the addition and metathesis (i.e. abstraction or addition-elimination) pathways. These experiments are described in relation to other Cl+ hydrocarbon reactions, and several examples illustrate the sensitivity of the kinetic and mechanistic behaviour of the Cl+ alkene reactions to the thermochemistry of the individual systems. In the Cl+C2H4 reaction, where metathesis is endothermic, addition dominates except at elevated temperatures or low pressures, but the exothermic metatheses of Cl with C3 unsaturated speci.
A CT radiomics analysis of COVID-19-related ground-glass opacities and consolidation: Is it valuable in a differential diagnosis with other atypical pneumonias?

Purpose To evaluate the discrimination of parenchymal lesions between COVID-19 and other atypical pneumonia (AP) by using only radiomics features. Methods In this retrospective study, 301 pneumonic lesions (150 ground-glass opacity [GGO], 52 crazy paving [CP], 99 consolidation) obtained from nonenhanced thorax CT scans of 74 AP (46 male and 28 female; 48.25±13.67 years) and 60 COVID-19 (39 male and 21 female; 48.01±20.38 years) patients were segmented manually by two independent radiologists, and Location, Size, Shape, and First- and Second-order radiomics features were calculated. Results Multiple parameters showed significant differences between AP and COVID-19-related GGOs and consolidations, although only the Range parameter was significantly different for CPs. Models developed by using the Bayesian information criterion (BIC) for the whole group of GGO and consolidation lesions predicted COVID-19 consolidation and AP GGO lesions with low accuracy (46.1% and 60.8%, respectively). Thus, instead of subjective classification, lesions were reclassified according to their skewness into positive skewness group (PSG, 78 AP and 71 COVID-19 lesions) and negative skewness group (NSG, 56 AP and 44 COVID-19 lesions), and group-specific models were created. The best AUC, accuracy, sensitivity, and specificity were respectively 0.774, 75.8%, 74.6%, and 76.9% among the PSG models and 0.907, 83%, 79.5%, and 85.7% for the NSG models. The best PSG model was also better at predicting NSG lesions smaller than 3 mL. Using an algorithm, 80% of COVID-19 and 81.1% of AP patients were correctly predicted. Conclusion During periods of increasing AP, radiomics parameters may provide valuable data for the differential diagnosis of COVID-19.
Instant vision assessment device for measuring refraction in low vision

ABSTRACT Clinical relevance: Refracting low vision patients require special procedures and strategies. A device—taking the reduced visual acuity and higher blur tolerance into account—is designed to measure refraction in this group. Background: Instant Vision Assessment Device (IVAD) is a stenopaeic slit refraction system in a binocular telescopic optometer calibrated to measure refraction. This study aims to validate IVAD in measuring refraction of low vision patients. Methods: Refractions were measured with IVAD on the right eyes of 35 normal subjects (ages nine to 69) and on the better eyes of 20 low vision subjects (ages 60 to 90) and compared with subjective refraction (SR). The visual acuities were compared in the low vision group. Paired Student t-test and Bland–Altman analysis were used to test the significance of difference and limits of agreement between methods, respectively. Results: In normal subjects, mean spherical equivalent refraction (M) measured by IVAD and SR was −2.88 ± 2.51 D and −2.72 ± 2.29 D, respectively, and the difference of −0.16 ± 0.47 D was not statistically significant (p = 0.05, t = 2.03). In low vision subjects, M measured by IVAD and SR was—0.66 ± 2.64 D and −0.55 ± 2.61 D, respectively, and the difference of −0.11 ± 0.59 D was also not statistically significant (p = 0.43, t = 2.09). Only the astigmatism J0 in the normal subject group of −0.03 ± 0.24 D by IVAD and 0.07 ± 0.17 D by SR showed a statistically significant difference of −0.10 ± 0.25 D (p = 0.04, t = 2.03). In low vision subjects, mean visual acuities with refraction from IVAD and SR were 0.52 ± 0.32 logMAR and 0.53 ± 0.32 logMAR, respectively, and the difference of 0.01 ± 0.07 logMAR was not statistically significant (p = 0.51, t = 2.09). At least 80% of the IVAD measure of refraction components (M, J0, J45) were within ±0.50 D of SR measure. Conclusion: IVAD is a practical and valid refraction method for low vision patients.
Optoelectronic enhancement of monocrystalline silicon solar cells by porous silicon‐assisted mechanical grooving

One of the most important factors influencing silicon solar cells performances is the front side reflectivity. Consequently, new methods for efficient reduction of this reflectivity are searched. This has always been done by creating a rough surface that enables incident light of being absorbed within the solar cell. Combination of texturization-porous silicon surface treatment was found to be an attractive technical solution for lowering the reflectivity of monocrystalline silicon (c-Si). The texturization of the monocrystalline silicon wafer was carried out by means of mechanical grooving. A specific etching procedure was then applied to form a thin porous silicon layer enabling to remove mechanical damages. This simple and low cost method reduces the total reflectivity from 29% to 7% in the 300 - 950 nm wavelength range and enhances the diffusion length of the minority carriers from 100 µm to 790 µm (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
X‐ray Photoelectron Spectroscopy Characterization of Ion‐Beam Sputter‐Deposited Calcium Phosphate Coatings

X-ray photoelectron spectroscopy (XPS) analysis of sputter-deposited calcium phosphate coatings on titanium substrates revealed four distinct zones. The ambient-exposed surface exhibited elevated concentrations of carbon because of atmospheric contamination. The bulk zone contained relatively constant concentrations of calcium, oxygen, phosphorus, and fluorine indicating the chemistry for calcium fluoride (CaF2) and fluorapatite (Ca5 (PO4),F) formation. The transitional zone exhibited elevated titanium and oxygen photoelectron peaks suggesting the coexistence of calcium phosphate compounds within the titanium oxide. The substrate was shown to be identical to the passivated titanium surface prior to deposition.
Development and Evaluation of a Navigation-Based, Multilevel Intervention to Improve the Delivery of Timely, Guideline-Adherent Adjuvant Therapy for Patients With Head and Neck Cancer

PURPOSE: More than half of patients with head and neck squamous cell carcinoma (HNSCC) experience a delay initiating guideline-adherent postoperative radiation therapy (PORT), contributing to excess mortality and racial disparities in survival. However, interventions to improve the delivery of timely, equitable PORT among patients with HNSCC are lacking. This study (1) describes the development of NDURE (Navigation for Disparities and Untimely Radiation thErapy), a navigation-based multilevel intervention (MLI) to improve guideline-adherent PORT and (2) evaluates its feasibility, acceptability, and preliminary efficacy. METHODS: NDURE was developed using the six steps of intervention mapping (IM). Subsequently, NDURE was evaluated by enrolling consecutive patients with locally advanced HNSCC undergoing surgery and PORT (n = 15) into a single-arm clinical trial with a mixed-methods approach to process evaluation. RESULTS: NDURE is a navigation-based MLI targeting barriers to timely, guideline-adherent PORT at the patient, healthcare team, and organizational levels. NDURE is delivered via three in-person navigation sessions anchored to case identification and surgical care transitions. Intervention components include the following: (1) patient education, (2) travel support, (3) a standardized process for initiating the discussion of expectations for PORT, (4) PORT care plans, (5) referral tracking and follow-up, and (6) organizational restructuring. NDURE was feasible, as judged by accrual (88% of eligible patients [100% Blacks] enrolled) and dropout (n = 0). One hundred percent of patients reported moderate or strong agreement that NDURE helped solve challenges starting PORT; 86% were highly likely to recommend NDURE. The rate of timely, guideline-adherent PORT was 86% overall and 100% for Black patients. CONCLUSION: NDURE is a navigation-based MLI that is feasible, is acceptable, and has the potential to improve the timely, equitable, guideline-adherent PORT.