Miracle-dz/UniFAR-FTUs huggingface dataset:
Adsorption of 5-aminosalicylic acid on kaolinite surfaces at a molecular level

Abstract The application of clay minerals in therapeutics is becoming important due to their structural and surface physicochemical properties. 5-aminosalicylic acid (5-ASA) is a very common pharmaceutical drug and is used worldwide. The interactions between the 5-ASA molecule and both the aluminol and siloxane surfaces of kaolinite are studied by means of atomistic calculations using force fields based on empirical interatomic potentials and quantum mechanics calculations based on density functional theory. A conformational analysis of 5-ASA has been performed and the anion of 5-ASA was also studied. The calculated adsorption energy values indicate that 5-ASA is likely to be adsorbed on the kaolinite surfaces with greater affinity to the aluminol surface. Hence, kaolinite may be considered as a promising pharmaceutical carrier of 5-ASA.
Characterization of potentially chemopreventive phenols in extracts of brown rice that inhibit the growth of human breast and colon cancer cells.

Rice is a staple diet in Asia, where the incidence of breast and colon cancer is markedly below that in the Western world. We investigated potential colon and breast tumor-suppressive properties of rice, testing the hypothesis that rice contains phenols that interfere with the proliferation or colony-forming ability of breast or colon cells. Brown rice, its white milled counterpart, and bran from brown rice were boiled and extracted with ethyl acetate. The extracts were analyzed by high pressure liquid chromatography-mass spectrometry. Eight phenols, protocatechuic acid, p-coumaric acid, caffeic acid, ferulic acid, sinapic acid, vanillic acid, methoxycinnamic acid, and tricin, were identified in the extracts of bran and intact brown rice. These extracts were separated into nine fractions by column chromatography. The effect of bran extract and its fractions at 100 microg/ml on cell viability and colony-forming ability of human-derived breast and colon cell lines was assessed. Bran extract decreased numbers of viable MDA MB 468 and HBL 100 breast cells and colon-derived SW 480 and human colonic epithelial cells as judged by the 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4 -sulfophenyl)-2H-tetrazolium assay. It also reduced colony formation of SW 480 colon and MDA MB 468 breast cells. Of the eight phenols identified in the brown rice bran, when applied at 50 microM, caffeic acid decreased numbers of all cell types except HBL 100. Tricin, ferulic acid, and methoxycinnamic acid interfered with cell viability in one or more cell lines. Tricin (50 microM) and the other phenols (200 microM) inhibited colony formation of SW 480 cells. Clonogenicity of MDA MB 468 cells was inhibited by caffeic acid, ferulic acid, and tricin (50 microM). Tricin was the most potent anticlonogenic of the compounds with IC50s of 16 microM in the SW 480 colon cells and 0.6 microM in the MDA MB 468 breast cells. The results suggest that: (a) brown rice and bran contain compounds with putative cancer chemopreventive properties; (b) certain phenols contained in brown rice bran, e.g., tricin, may be associated with this activity; and (c) these phenols are present at much lower levels in white than in brown rice. Thus, the consumption of rice bran or brown rice instead of milled white rice may be advantageous with respect to cancer prevention.
Undoing Event-Driven Adaptation of Business Processes

As business processes continue to gain relevance in different domains, dynamicity is becoming a great concern. Static processes no longer cover the actual needs of constantly changing environments, and process adaptation is a must in order to maintain competitive levels. While creating dynamically adaptable business processes can be a challenging task, undoing these adaptations is a natural functionality that has not been studied in depth. Straight forward approaches for unadaptation can easily end up with corrupted processes, bringing uncertainty to the whole business logic. In this paper we bring forward a solution for efficiently undoing a business process adaptation in event-driven environments, considering also the correlated adaptations that happened afterwards.
Riemannian Manifold Hamiltonian Monte Carlo

The paper proposes a Riemannian Manifold Hamiltonian Monte Carlo sampler to resolve the shortcomings of existing Monte Carlo algorithms when sampling from target densities that may be high dimensional and exhibit strong correlations. The method provides a fully automated adaptation mechanism that circumvents the costly pilot runs required to tune proposal densities for Metropolis-Hastings or indeed Hybrid Monte Carlo and Metropolis Adjusted Langevin Algorithms. This allows for highly efficient sampling even in very high dimensions where different scalings may be required for the transient and stationary phases of the Markov chain. The proposed method exploits the Riemannian structure of the parameter space of statistical models and thus automatically adapts to the local manifold structure at each step based on the metric tensor. A semi-explicit second order symplectic integrator for non-separable Hamiltonians is derived for simulating paths across this manifold which provides highly efficient convergence and exploration of the target density. The performance of the Riemannian Manifold Hamiltonian Monte Carlo method is assessed by performing posterior inference on logistic regression models, log-Gaussian Cox point processes, stochastic volatility models, and Bayesian estimation of parameter posteriors of dynamical systems described by nonlinear differential equations. Substantial improvements in the time normalised Effective Sample Size are reported when compared to alternative sampling approaches. Matlab code at \url{http://www.dcs. gla.ac. uk/inference/rmhmc} allows replication of all results.
Low-loss LTCC-based gap waveguide feeding network for W-band application

In this paper, a novel low-loss gap waveguide (GWG) transmission line with Low Temperature Co-Fired Ceramic (LTCC) technology for W-band is presented. To illustrate the low-loss characteristics of the proposed line, microstrip line (MSL) and laminated waveguide (LWG) are also designed with LTCC, and the corresponding measured values of insertion loss are given. From the measured results, the value of the dielectric loss tangent is extracted. As an example, two kinds of eight-way power dividers are shown, which are composed of LWG and GWG, respectively. Simulated results of transmission and reflection coefficients are presented. Comparison of two power dividers has shown the low-loss superiority of the new design.
A forth order finite differencce scheme for pennes' bioheat transfer equation in a three? Dimensional triple-layered skin structure with multilevel bloood vessel

The Pennes' bioheat transferr equation is a well-known heat conduction equation in which has been used for mathematical representation of the temperature distribution in the tissue because of its simplicity in which the heat transfer between the blood vessels and tissue is assumed to occur mainly across the capillaries where blood velocity is low. In this study, a forth-order compact finite difference scheme for solving Pennes' bioheat transfer equation is applied to model temperature distribution in a three dimensional skin structure with multilevel blood vessel. Numerical experiments for thermal analysis of a skin composed of epidermis, dermis, and subcutaneous layers are conducted. Basically, blood vessels can be heat sink or heat source. As laser increases the temperature of tissue, blood vessels count as a heat sink. This term is modeled to be proportional to the difference between arterial supply temperature and the local tissue teemperature.
Reducing Overheating-Induced Failures Via Performance-Aware CPU Power Management ?

Cluster end-users and administrators have become more cog- nizant of the fact that large-scale commodity clusters fail quite fre- quently, and the main source of these failures is hardware (e.g., pro- cessors) with the primary cause being heat. This situation is expected to worsen with even larger-scale clusters powered by faster (and/or multi- core) processors. In this paper, we propose a power-management algo- rithm that addresses heat-related reliability for processors by control- ling their clock speeds in a performance-aware manner. This approach is complementary to existing approaches such as exotic cooling and fault- tolerant technologies in that it proactively deals with power and cooling issues before they become a problem. Our preliminary experimental work demonstrates that our approach can easily be applied commodity pro- cessors and can reduce heat generation by 30% on average with minimal effect on performance when running the SPEC benchmarks.
A Nonparametric Test of Granger Causality in Continuous Time

This paper develops a nonparametric Granger causality test for continuous time point process data. Unlike popular Granger causality tests with strong parametric assumptions on discrete time series, the test applies directly to strictly increasing raw event time sequences sampled from a bivariate temporal point process satisfying mild stationarity and moment conditions. This eliminates the sensitivity of the test to model assumptions and data sampling frequency. Taking the form of an L2-norm, the test statistic delivers a consistent test against all alternatives with pairwise causal feedback from one component process to another, and can simultaneously detect multiple causal relationships over variable time spans up to the sample length. The test enjoys asymptotic normality under the null of no Granger causality and exhibits reasonable empirical size and power performance. Its usefulness is illustrated in three applications: tests of trade-toquote causal dynamics in market microstructure study, credit contagion of U.S. corporate bankruptcies over di¤erent industrial sectors, and nancial contagion across international stock exchanges. 1 Introduction The concept of Granger causality was rst introduced to econometrics in the groundbreaking work of Granger (1969) and Sims (1972). Since then it has generated an I am indebted to my adviser, Yongmiao Hong, for his constant guidance and encouragement. My sincere thanks go to Jiti Gao, Robert Jarrow, Nicholas Kiefer, Wai Keung Li, David Ng, Adrian Pagan, Je¤rey Russell and Robert Strawderman who have provided me with valuable comments. I would also like to thank the conference participants at the Econometric Society Australasian Meeting 2011, and seminar participants at Cornell University, the University of Hong Kong, the University of Sydney and Xiamen University. yE-mail: sk528@cornell.edu Address: Department of Economics, 404 Uris Hall, Cornell University, Ithaca, NY 14853.
ART: robustness of meshes and tori for parallel and distributed computation

We formulate array robustness theorems (ARTs) for efficient computation and communication on faulty arrays. No hardware redundancy is required and no assumption is made about the availability of a complete submesh or subtorus. Based on ARTs, a very wide variety of problem, including sorting, FFT, total exchange, permutation, and some matrix operations, can be solved with a slowdown factor of 1+o(1). The number of faults tolerated by ARTs ranges from o(min (n/sup 1-1/d/, n/d, n/h)) for n-ary d-cubes with worst-case faults to as large as o(N) for most N-node 2-D meshes or tori with random faults, where h is the number of data items per processor The resultant running times are the best results reported thus far for solving many problems on faulty arrays. Based on ARTs and several other components such as robust libraries, the priority emulation discipline, and X'Y' routing, we introduce the robust adaptation interface layer (RAIL) as a middleware between ordinary algorithms/programs and the faulty network/hardware. In effect, RAIL provides a virtual fault-free network to higher layers, while ordinary algorithms/programs are transformed through RAIL into corresponding robust algorithms/programs that can run on faulty networks.
Positional Information Resolves Structural Variations and Uncovers an Evolutionarily Divergent Genetic Locus in Accessions of Arabidopsis thaliana

Genome sequencing of closely related individuals has yielded valuable insights that link genome evolution to phenotypic variations. However, advancement in sequencing technology has also led to an escalation in the number of poor quality–drafted genomes assembled based on reference genomes that can have highly divergent or haplotypic regions. The self-fertilizing nature of Arabidopsis thaliana poses an advantage to sequencing projects because its genome is mostly homozygous. To determine the accuracy of an Arabidopsis drafted genome in less conserved regions, we performed a resequencing experiment on a ∼371-kb genomic interval in the Landsberg erecta (Ler-0) accession. We identified novel structural variations (SVs) between Ler-0 and the reference accession Col-0 using a long-range polymerase chain reaction approach to generate an Illumina data set that has positional information, that is, a data set with reads that map to a known location. Positional information is important for accurate genome assembly and the resolution of SVs particularly in highly duplicated or repetitive regions. Sixty-one regions with misassembly signatures were identified from the Ler-0 draft, suggesting the presence of novel SVs that are not represented in the draft sequence. Sixty of those were resolved by iterative mapping using our data set. Fifteen large indels (>100 bp) identified from this study were found to be located either within protein-coding regions or upstream regulatory regions, suggesting the formation of novel alleles or altered regulation of existing genes in Ler-0. We propose future genome-sequencing experiments to follow a clone-based approach that incorporates positional information to ultimately reveal haplotype-specific differences between accessions.
A study of the online profile of enterprise users in professional social networks

Understanding the impact of corporate information publicly distributed on the Web is becoming more and more crucial. In this paper we report the result of a study that involved 130 IBM employees: we explored the correctness and extent of organisational information that can be observed from the online profiles of a company's employees. Our work contributes new insights to the study of social networks by showing that, even by considering a small fraction of the available online data, it is possible to discover accurate information about an organisation, its structure, and the factors that characterise the social reach of their employees.
Perceptions as Hypotheses: Saccades as Experiments

If perception corresponds to hypothesis testing (Gregory, 1980); then visual searches might be construed as experiments that generate sensory data. In this work, we explore the idea that saccadic eye movements are optimal experiments, in which data are gathered to test hypotheses or beliefs about how those data are caused. This provides a plausible model of visual search that can be motivated from the basic principles of self-organized behavior: namely, the imperative to minimize the entropy of hidden states of the world and their sensory consequences. This imperative is met if agents sample hidden states of the world efficiently. This efficient sampling of salient information can be derived in a fairly straightforward way, using approximate Bayesian inference and variational free-energy minimization. Simulations of the resulting active inference scheme reproduce sequential eye movements that are reminiscent of empirically observed saccades and provide some counterintuitive insights into the way that sensory evidence is accumulated or assimilated into beliefs about the world.
Oxidation of 4‐hydroxy‐2‐nonenal by succinic semialdehyde dehydrogenase (ALDH5A)

Elevated levels of 4‐hydroxy‐trans‐2‐nonenal (HNE) are implicated in the pathogenesis of numerous neurodegenerative disorders. Although well‐characterized in the periphery, the mechanisms of detoxification of HNE in the CNS are unclear. HNE is oxidized to a non‐toxic metabolite in the rat cerebral cortex by mitochondrial aldehyde dehydrogenases (ALDHs). Two possible ALDH enzymes which might oxidize HNE in CNS mitochondria are ALDH2 and succinic semialdehyde dehydrogenase (SSADH/ALDH5A). It was previously established that hepatic ALDH2 can oxidize HNE. In this work, we tested the hypothesis that SSADH oxidizes HNE. SSADH is critical in the detoxification of the GABA metabolite, succinic semialdehyde (SSA). Recombinant rat SSADH oxidized HNE and other α,β‐unsaturated aldehydes. Inhibition and competition studies in rat brain mitochondria showed that SSADH was the predominant oxidizing enzyme for HNE but only contributed a portion of the total oxidizing activity in liver mitochondria. In vivo administration of diethyldithiocarbamate (DEDC) effectively inhibited (86%) ALDH2 activity but not HNE oxidation in liver mitochondria. The data suggest that a relationship between the detoxification of SSA and the neurotoxic aldehyde HNE exists in the CNS. Furthermore, these studies show that multiple hepatic aldehyde dehydrogenases are able to oxidize HNE.
Clinical Interventions in Aging Dovepress Electroencephalography-driven Approach to Prodromal Alzheimer's Disease Diagnosis: from Biomarker Integration to Network-level Comprehension

hereby accept the Terms. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed. For permission for commercial use of this work, please see paragraphs 4.2 and 5 of our Terms Abstract: Decay of the temporoparietal cortex is associated with prodromal Alzheimer's disease (AD). Additionally, shrinkage of the temporoparietal cerebral area has been connected with an increase in α3/α2 electroencephalogram (EEG) power ratio in prodromal AD. Furthermore , a lower regional blood perfusion has been exhibited in patients with a higher α3/α2 proportion when contrasted with low α3/α2 proportion. Furthermore, a lower regional blood perfusion and reduced hippocampal volume has been exhibited in patients with higher α3/α2 when contrasted with lower α3/α2 EEG power ratio. Neuropsychological evaluation, EEG recording, and magnetic resonance imaging were conducted in 74 patients with mild cogni-tive impairment (MCI). Estimation of cortical thickness and α3/α2 frequency power ratio was conducted for each patient. A subgroup of 27 patients also underwent single-photon emission computed tomography evaluation. In view of α3/α2 power ratio, the patients were divided into three groups. The connections among cortical decay, cerebral perfusion, and memory loss were evaluated by Pearson's r coefficient. Results demonstrated that higher α3/α2 frequency power ratio group was identified with brain shrinkage and cutdown perfusion inside the temporopa-rietal projections. In addition, decay and cutdown perfusion rate were connected with memory shortfalls in patients with MCI. MCI subgroup with higher α3/α2 EEG power ratio are at a greater risk to develop AD dementia.
First Detection of Rotavirus Group C in Asymptomatic Pigs of Smallholder Farms in East Africa

Group C rotavirus (RVC) has been described to be a causative agent of gastroenteritis in humans and animals including pigs, cows, and dogs. Fecal samples collected from asymptomatic pigs in smallholder swine farms in Kenya and Uganda were screened for the presence of group C rotaviruses (RVC) using a reverse transcription-polymerase chain reaction assay. A total of 446 samples were tested and 37 were positive (8.3%). A significantly larger (p < 0.05) number of RVC-positive samples was detected in groups of older pigs (5–6 months) than in younger piglets (1–2 months). There were no significant differences in the RVC detection rate between the pigs that were full time housed/tethered and those that were free range combined with housing/tethering. After compiling these data with diagnostic results for group A rotaviruses (RVA), 13 RVC-positive samples were also positive for RVA. This study provides the first evidence that porcine group C rotavirus may be detected frequently in asymptomatic piglets (aged < 1–6 months) in East Africa. The occurrence of RVC in mixed infections with RVA and other enteric pathogens requires further research to investigate the pathogenic potential of RVC in pigs.
Gamma-Ray Bursts from Delayed Collapse of Neutron Stars to Quark Matter Stars

We propose a model to explain how a gamma-ray burst can take place days or years after a supernova explosion. Our model is based on the conversion of a pure hadronic star (neutron star) into a star made at least in part of deconfined quark matter. The conversion process can be delayed if the surface tension at the interface between hadronic and deconfined quark matter phases is taken into account. The nucleation time (i.e., the time to form a critical-size drop of quark matter) can be extremely long if the mass of the star is small. Via mass accretion the nucleation time can be dramatically reduced and the star is finally converted into the stable configuration. A huge amount of energy, on the order of 1052-1053 ergs, is released during the conversion process and can produce a powerful gamma-ray burst. The delay between the supernova explosion generating the metastable neutron star and the new collapse can explain the delay inferred in GRB 990705 and in GRB 011211.
Rare Bilateral Nasopalatine Duct Cysts: A Case Report

The nasopalatine duct cyst (NPDC) is the most common of the non-odontogenic cyst of the jaws. This cysts are usually central or unilateral with no prevalence of side occurrence. The NPDC is the most frequent developmental, nonodontogenic cyst of the jaws. This cyst originates from epithelial remnants from the nasopalatine duct. The cells could be activated spontaneously during life, or are eventually stimulated by the irritating action of various agents (infection, etc.). Generally, patients present without clinical signs and symptoms. Therefore, the tentative diagnosis "nasopalatine duct cyst" is often based on a coincidental radiological finding on a routine panoramic view or occlusal radiograph. The definite diagnosis should be based on clinical, radiological and above all histopathologic findings. The therapy of nasopalatine duct cysts consists of an enucleation of the cystic tissue, only in rare cases a marsupialization needs to be performed. This report describes the appearance and treatment of a rare case of bilateral nasopalatine duct cyst.