Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular Mechanisms Underlying Inhibitory Binding of Alkylimidazolium Ionic Liquids to Laccase

Water-miscible alkylimidazolium ionic liquids (ILs) are “green” co-solvents for laccase catalysis, but generally inhibit enzyme activity. Here, we present novel insights into inhibition mechanisms by a combination of enzyme kinetics analysis and molecular simulation. Alkylimidazolium cations competitively bound to the TI Cu active pocket in the laccase through hydrophobic interactions. Cations with shorter alkyl chains (C2~C6) entered the channel inside the pocket, exhibiting a high compatibility with laccase (competitive inhibition constant Kic = 3.36~3.83 mM). Under the same conditions, [Omim]Cl (Kic = 2.15 mM) and [Dmim]Cl (Kic = 0.18 mM) with longer alkyl chains bound with Leu296 or Leu297 near the pocket edge and Leu429 around TI Cu, which resulted in stronger inhibition. Complexation with alkylimidazolium cations shifted the pH optima of laccase to the right by 0.5 unit, and might, thereby, lead to invalidation of the Hofmeister series of anions. EtSO4− showed higher biocompatibility than did Ac− or Cl−, probably due to its binding near the TI Cu and its hindering the entry of alkylimidazolium cations. In addition, all tested ILs accelerated the scavenging of 2, 2′-azino-bis-(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radicals, which, however, did not play a determining role in the inhibition of laccase.
Characteristics of diabatic heating associated with mesoscale convective systems over Indian Ocean from radiosonde and GPS radio occultation

This study aims to investigate the characteristics of diabatic heating profiles associated with appearances of Mesoscale Convective Systems (MCSs) over Sumatra Island (SI) and Indian Ocean (IO) including the transitional offshore zone (TZ). We define the parameters of eccentricity, cloud lifetime, and cloud coverage from Multi-Functional Transport Satellite (MTSAT) infrared imageries to identify the MCSs. We derive the diabatic heating profiles over SI and IO using radiosonde data collected during Cooperative Indian Ocean Experiment on Intraseasonal Variability in the Year 2011 (CINDY2011) / Dynamics of the Madden Julian Oscillation (DYNAMO) campaign. We also estimate the diabatic heating profiles from the GPS Radio Occultation incorporated with the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis data over TZ, where the radiosonde observations were limited. The results show that heating occurred throughout the entire troposphere during the mature stages of MCSs with more variations in the amplitude and maximum heating up to 20 K/day overland. Furthermore, the altitude of maximum heating over SI is lower than that of IO and TZ. Over SI and TZ, profiles of dissipations (postmature) stage are characterized by cooling in the lower altitude and an upward shift of maximum heating. By analyzing vertical velocity profiles, we confirm that cooling (heating) processes are associated with updraft (downdraft) in the cloud systems. In addition, the presence of cooling that occurs in layers close to the surface could indicate the formation of cold pool during the dissipation phase of the MCSs.
Verifying UML/OCL models using Boolean satisfiability

Nowadays, modeling languages like UML are essential in the design of complex software systems and also start to enter the domain of hardware and hardware/software codesign. Due to shortening time-to-market demands, “first time right” requirements have thereby to be satisfied. In this paper, we propose an approach that makes use of Boolean satisfiability for verifying UML/OCL models. We describe how the respective components of a verification problem, namely system states of a UML model, OCL constraints, and the actual verification task, can be encoded and afterwards automatically solved using an off-the-shelf SAT solver. Experiments show that our approach can solve verification tasks significantly faster than previous methods while still supporting a large variety of UML/OCL constructs.
A novel Framenet-based resource for the semantic web

FrameNet is a large-scale lexical resource encoding information about semantic frames (situations) and semantic roles. The aim of the paper is to enrich FrameNet by mapping the lexical fillers of semantic roles to WordNet using a Wikipedia-based detour. The applied methodology relies on a word sense disambiguation step, in which a Wikipedia page is assigned to a role filler, and then BabelNet and YAGO are used to acquire WordNet synsets for a filler. We show how to represent the acquired resource in OWL, linking it to the existing RDF/OWL representations of FrameNet and WordNet. Part of the resource is evaluated by matching it with the WordNet synsets manually assigned by FrameNet lexicographers to a subset of semantic roles.
Radiologic-pathologic conferences of the university of Rochester School of Medicine: inflammatory pseudotumor of the spleen.

1477 without calcification. The size of these lesions can range from 3.5 to 22 cm in diameter, with most larger than 10 cm. Contrastenhanced images show early enhancement and a gradual filling of the lesion on delayed phase imaging [2]. The presence of a central satellite area corresponding to fibrous plaque on CT examination after administration of a contrast agent strongly suggests an inflammatory pseudotumor [3]. On MRI, these lesions are hypoto isointense to the surrounding spleen on T1-weighted images and hyperintense on T2-weighted images. After IV contrast administration, there is inhomogeneous delayed enhancement similar to that observed on CT. Inflammatory pseudotumors appear as well-circumscribed, hypoechoic masses on sonography. Radiologic findings can rarely lead to a definitive diagnosis because many other splenic neoplasms are similar in appearance. Other splenic neoplasms that mimic splenic inflammatory pseudotumor include lymphoma, metastatic carcinoma, splenic hamartoma, and hemangioma [4, 5].
Neuroanatomical profiles of personality change in frontotemporal lobar degeneration

Background The neurobiological basis of personality is poorly understood. Frontotemporal lobar degeneration (FTLD) frequently presents with complex behavioural changes, and therefore potentially provides a disease model in which to investigate brain substrates of personality. Aims To assess neuroanatomical correlates of personality change in a cohort of individuals with FTLD using voxel-based morphometry (VBM). Method Thirty consecutive individuals fulfilling consensus criteria for FTLD were assessed. Each participant's carer completed a Big Five Inventory (BFI) questionnaire on five key personality traits; for each trait, a change score was derived based on current compared with estimated premorbid characteristics. All participants underwent volumetric brain magnetic resonance imaging. A VBM analysis was implemented regressing change score for each trait against regional grey matter volume across the FTLD group. Results The FTLD group showed a significant decline in extraversion, agreeableness, conscientiousness and openness and an increase in neuroticism. Change in particular personality traits was associated with overlapping profiles of grey matter loss in more anterior cortical areas and relative preservation of grey matter in more posterior areas; the most robust neuroanatomical correlate was identified for reduced conscientiousness in the region of the posterior superior temporal gyrus. Conclusions Quantitative measures of personality change in FTLD can be correlated with changes in regional grey matter. The neuroanatomical profiles for particular personality traits overlap brain circuits previously implicated in aspects of social cognition and suggest that dysfunction at the level of distributed cortical networks underpins personality change in FTLD.
Neutronic benchmark of the molten salt fast reactor in the frame of the EVOL and MARS collaborative projects

This paper describes the neutronic benchmarks and the results obtained by the various participants of the FP7 project EVOL and the ROSATOM project MARS. The aim of the benchmarks was two-fold: first to verify and validate each of the code packages of the project partners, adapted for liquid-fueled reactors, and second to check the dependence of the core characteristics to nuclear data set for application on a molten salt fast reactor (MSFR). The MSFR operates with the thorium fuel cycle and can be started with 233U-enriched U and/or TRU elements as initial fissile load. All three compositions were covered by the present benchmark. The calculations have confirmed that the MSFR has very favorable characteristics not present in other Gen4 fast reactors, like strong negative temperature and void reactivity coefficients, a low-fissile inventory, a reduced long-lived waste production and its burning capacities of nuclear waste produced in currently operational reactors.
Narrow Artificial Intelligence with Machine Learning for Real-Time Estimation of a Mobile Agents Location Using Hidden Markov Models

We propose to use a supervised machine learning technique to track the location of a mobile agent in real time. Hidden Markov Models are used to build artificial intelligence that estimates the unknown position of a mobile target moving in a defined environment. This narrow artificial intelligence performs two distinct tasks. First, it provides real-time estimation of the mobile agent’s position using the forward algorithm. Second, it uses the BaumźWelch algorithm as a statistical learning tool to gain knowledge of the mobile target. Finally, an experimental environment is proposed, namely, a video game that we use to test our artificial intelligence. We present statistical and graphical results to illustrate the efficiency of our method.
Variabilidade das correntes na plataforma interna ao largo de Tramandaí, RS durante o verão de 2014

Upwelling and Downwelling events in very shallow water still are poorly understood on brazilian coastal. This work aims to obtain a better understanding of ocean circulation in shallow waters, such as coastal currents and sea level oscillations. An acoustic waves and currents profiler, AWAC, Nortek brand, was anchored at 11 m depth off Tramandai beach, which was programmed to record a continuous series of waves and currents data, beginning on December 17, 2013 and ending on March 13, 2014 (summer). The results indicated that in the inner shelf the direction of the currents for short periods reverses, sometimes Southward, sometimes Northward. Also, it was observed the maximum velocities of 0.6 and 0.9 m.s-1 on the bottom and on the surface, respectively. In addition, a flow rate of 0.018 m.s-1 to S was calculated based on the average profile of the water column. Furthermore, were found indicative of upwelling and downwelling circulation patterns, from wind and current direction analysis as well, variations in water temperature and also in average sea level.
Imipenem versus moxalactam in the treatment of serious infections

Imipenem (formerly imipemide, N-formimidoyl thienamycin, or MK0787) was compared to moxalactam in a randomized therapeutic trial involving 39 evaluable patients with serious bacterial infections. Of those treated with imipenem, 89% were cured or improved versus 60% for moxalactam (P = 0.06). Although mucocutaneous fungal infections occurred in both groups (25 and 10%, respectively), Streptococcus faecalis superinfection was seen in two patients in the moxalactam group only. Adverse drug reactions occurred with both drugs, although bleeding occurred in three patients treated with moxalactam.
Leakage of five root canal sealers.

AIM The aim of this study was to examine the apical sealing ability of five root canal sealers using a fluid transport model. METHODOLOGY A comparison of root canal scalers AH26, AH Plus, Diaket, Apexit, and Ketac-Endo were tested on 60 single-rooted teeth. The coronal part of each tooth was removed at the amelo-cemento junction, and also 3 mm of the root tip. Root canals were instrumented using the 'step-back' technique with Gates Glidden drills and irrigated with 2.5% NaOCl. The specimens were divided into five groups of 10 samples each and filled with test materials and gutta-percha points by the cold lateral condensation technique. Ten teeth were used as a control group, out of which five served as negative and five as positive controls. The leakage was measured by the movement of an air bubble in a capillary glass tube connected to the experimental root section. RESULTS The differences in leakage amongst Ketac-Endo (0.318 microL: SD 0.084), AH26 (0.319 microL; SD 0.075), AH Plus (0.330L; SD 0.085) Apexit (0.360 microL; SD 0.127) and Diaket (0.387 microL; SD 0.140) were not statistically significant (P > 0.05). CONCLUSIONS Under the conditions of this study, all five sealers produced a satisfactory seal.
Assessment of herbaceous biomass: A study in Rowghat mining areas of Chhattisgarh, India

We studied Rowghat sites of Chhattisgarh, India, with the objective to assess herbaceous layer composition, biomass and to prepare management implications for conservation of ecologically sensitive species in mined areas. Ten sites (Anjrel, Khodgaon, Khadkagaon, Takrel, Rav Dongri, Tarhur, Godenmar Dongri, Parmad Dongri, Bhusujkun Dongri and Bedhiyar Nala) were selected for the study. We randomly placed quadrats of 1x1 m size in each site. A sum of 36 species distributed in 15 families were encountered in Rowghat mining site. The total density of all herbs was highest (724000) in Bhusujkun Dongri followed by Khadkagaon (678000), Rav Dongri (662000) and lowest was recorded from Godenmar Dongri (502000). The density of herbs across the study area ranged from 9,000 (D. ciliaris) to 2,50,000 (S. viridis) in the areas of Tarhur and Bediyar Nala. The herb species were unevenly distributed across mined areas. The Chlorophytum tuberosum and Cassia tora were recorded only from Tarkel and Godenmar Dongri sites, respectively. The total belowground biomass ranged between 0.097 t/ha in Godenmar Dongri to 0.18 t/ha in Rav Dongri. An ecological approach is must to restore the collieries. Protection of ecologically sensitive herbs is necessary. Prolonged ban on mining activity in Rowghat forest area is needed to restore degraded forest.
Thrombosed giant aneurysm of the distal anterior cerebral artery treated with aneurysm resection and proximal pericallosal artery–callosomarginal artery end-to-end anastomosis: Case report and review of the literature

Background: Giant distal anterior cerebral artery (DACA) aneurysms are extremely rare, with only 32 cases reported in the literature. Most giant DACA aneurysms have features that make standard neck clipping difficult, and bypass surgery is sometimes required, although this surgery was performed in only three reported cases. This report presents the fourth case treated with bypass surgery. Case Description: A 69-year-old female presented with an unruptured thrombosed giant DACA aneurysm. She underwent wrapping operation 7 years before, but radiological imaging revealed enlargement of the aneurysm at the left pericallosal artery (PerA)–callosomarginal artery (CMA) junction. Before operation, three different strategies were considered for bypass surgery in case the neck could not be clipped. Aneurysm resection and left proximal PerA–CMA end-to-end anastomosis were successfully performed under intraoperative digital subtraction angiography (DSA) and motor-evoked potential (MEP) monitoring. Conclusion: Most DACA aneurysms are located at the PerA–CMA junction. In some cases, adequate retrograde flow to the distal PerA from the posterior or middle cerebral artery can be expected, making distal PerA reconstruction unnecessary. Moreover, when the distal PerA is cut, proximal PerA–CMA end-to-end anastomosis can be easily performed because of reduced tension in both vessels. We therefore conclude that this strategy should be utilized for treating such patients. We also presented here the effectiveness of intraoperative modalities, such as intraoperative DSA and MEP monitoring, for performing a safe operation.
Starling resistor versus compliance. Which explains the zero-flow pressure of a dynamic arterial pressure-flow relation?

Arterial pressure at zero flow (Pz = 0) that is higher than venous pressure (Pv) in dynamic pressure-flow relations has been explained by the presence of an arteriolar Starling resistor (SR) mechanism (i.e., vascular waterfall) or the discharge of vascular capacitance. To determine which was predominant, I studied in vivo hind limbs of 18 anesthetized dogs in which femoral arteries were cannulated with in-line electromagnetic flow probes to measure inflow (Qin), Pv was controlled, and collateral flow was eliminated with a tourniquet. Pz = 0 was obtained by turning flow to zero. Three tests were applied: 1) Pv was raised in steps with either constant Qin or constant arterial pressure (Pa) to determine the pressure at which upstream vascular characteristics were affected by a change in Pv, 2) the time to reach Pz = 0 was varied to determine compliance effects, and 3) an equation was developed to determine if experimentally derived parameters could explain Pz = 0 without invoking an SR. With constant Qin and a Pz = 0 of 56.9 +/- 11.7 mm Hg (time to Pz = 0, 3 seconds), Pv could be raised by 9.6 +/- 6.2 to 16.3 +/- 6.0 mm Hg before Pa increased, and with constant Pa, Pv could be raised by 6.8 +/- 7.3 to 14.0 +/- 8.0 mm Hg before Qin decreased. With increasing times to reach Pz = 0, Pz = 0 initially dropped precipitously, but then decreased by only a small amount over the next 5-10 seconds even though arterial pressure was much above Pv. This could be explained by an SR mechanism with a critical pressure of 42.3 +/- 11.4 mm Hg and an arterial compliance of 0.0104 +/- 0.0023 ml.mm Hg-1 (n = 6). There was no value for the compliance that described the results when the arterial outflow pressure was Pv. Thus, this study supports the hypothesis that an SR mechanism is present in the vascular system. It is most likely precapillary, and in the resting limb, it has a value of 40-50 mm Hg. However, Pz = 0 in dynamic pressure-flow studies of less than 4 seconds is also greatly influenced by capacitance effects and the initial Pa.
Emotionality, emotion regulation, and preschoolers' social adaptation

Abstract It was proposed that the interaction between the constructs of emotion regulation and social interaction would predict social adaptation in preschoolers. Ninety-six 4-year-olds were observed in quartets of unfamiliar same-sex peers. Based on parent temperament ratings and observed free play behaviors, 68 children from the original sample were classified as: low social interaction, good emotion regulators; low social interaction, poor emotion regulators; high social interaction, good emotion regulators; high social interaction, poor emotion regulators; or average. The results indicated that the low social interaction children who were poor regulators displayed more wary and anxious behaviors during free play and other episodes, and were rated as having more internalizing problems than both the low social interaction children who were good regulators and the average group. The high social interaction children who were poor regulators were rated as having more externalizing problems than either the high social interaction children who were good regulators or the average group. Thus, it seems as if emotion dysregulation is associated with psychological maladaptation, but that this association is tempered by the degree to which children engage in social interaction.
Self-Supervised Multi-level Face Model Learning for Monocular Reconstruction at Over 250 Hz

The reconstruction of dense 3D models of face geometry and appearance from a single image is highly challenging and ill-posed. To constrain the problem, many approaches rely on strong priors, such as parametric face models learned from limited 3D scan data. However, prior models restrict generalization of the true diversity in facial geometry, skin reflectance and illumination. To alleviate this problem, we present the first approach that jointly learns 1) a regressor for face shape, expression, reflectance and illumination on the basis of 2) a concurrently learned parametric face model. Our multi-level face model combines the advantage of 3D Morphable Models for regularization with the out-of-space generalization of a learned corrective space. We train end-to-end on in-the-wild images without dense annotations by fusing a convolutional encoder with a differentiable expert-designed renderer and a self-supervised training loss, both defined at multiple detail levels. Our approach compares favorably to the state-of-the-art in terms of reconstruction quality, better generalizes to real world faces, and runs at over 250 Hz.
Leaf Trait Acclimation Amplifies Simulated Climate Warming in Response to Elevated Carbon Dioxide

Vegetation modifies Earth's climate by controlling the fluxes of energy, carbon, and water. Of critical importance is a better understanding of how vegetation responses to climate change will feedback on climate. Observations show that plant traits respond to elevated carbon dioxide concentrations. These plant trait acclimations can alter leaf area and, thus, productivity and surface energy fluxes. Yet the climate impacts of plant structural trait acclimations remain to be tested and quantified. Here we show that one leaf trait acclimation in response to elevated carbon dioxide—a one‐third increase in leaf mass per area—significantly impacts climate and carbon cycling in Earth system model experiments. Global net primary productivity decreases (−5.8 PgC/year, 95% confidence interval [CI95%] −5.5 to −6.0), representing a decreased carbon dioxide sink of similar magnitude to current annual fossil fuel emissions (8 PgC/year). Additional anomalous terrestrial warming (+0.3 °C globally, CI95% 0.2 to 0.4), especially of the northern extratropics (+0.4 °C, CI95% 0.2 to 0.5), results from reduced evapotranspiration and enhanced absorption of solar radiation at the surface. Leaf trait acclimation drives declines in productivity and evapotranspiration by reducing leaf area growth in response to elevated carbon dioxide, as a one‐third increase in leaf mass per area raises the cost of building leaf area and productivity fails to fully compensate. Our results suggest that plant trait acclimations, such as changing leaf mass per area, should be considered in climate projections and provide additional motivation for ecological and physiological experiments that determine plant responses to environment.