LLukas22/scidocs huggingface dataset:
Synthesis and properties of 2-acetylthiamin pyrophosphate: an enzymatic reaction intermediate.

The synthesis of 2-acetylthiamin pyrophosphate (acetyl-TPP) is described. The synthesis of this compound is accomplished at 23 degrees C by the oxidation of 2-(1-hydroxyethyl)thiamin pyrophosphate using aqueous chromic acid as the oxidizing agent under conditions where Cr(III) coordination to the pyrophosphoryl moiety and hydrolysis of both the pyrophosphate and acetyl moieties were prevented. Although the chemical properties exhibited by acetyl-TPP are similar to those of the 2-acetyl-3,4-dimethylthiazolium ion examined by Lienhard [Lienhard, G.E. (1966) J. Am. Chem. Soc. 88, 5642-5649], significant differences exist because of the pyrimidine ring in acetyl-TPP. Characterization of acetyl-TPP by ultraviolet spectroscopy, 1H NMR, 13C NMR, and 31P NMR provided evidence that the compound in aqueous solution exists as an equilibrium mixture of keto, hydrate, and intramolecular carbinolamine forms. The equilibria for the hydration and carbinolamine formation reactions at pD 1.3 as determined by 1H NMR are strongly dependent on the temperature, showing an increase in the hydrate and carbinolamine forms at the expense of the keto form with decreasing temperature. The concentration of keto form also decreases with increasing pH. Acetyl-TPP is stable in aqueous acid but rapidly deacetylates at higher pH to form acetate and thiamin pyrophosphate. Trapping of the acetyl moiety in aqueous solution occurs efficiently with 1.0 M hydroxylamine at pH 5.5-6.5 to form acetohydroxamic acid and to a much smaller extent with 1.0 M 2-mercaptoethanol at pH 4.0 and 5.0 to form thio ester. Transfer of the acetyl group to 0.5 M dihydrolipoic acid at pH 5.0 and 1.0 M phosphate dianion at pH 7.0 is not observed to any significant extent in water. The kinetic and thermodynamic reactivity of acetyl-TPP with water and other nucleophiles is compatible with a hypothetical role for acyl-TPPs as enzymatic acyl-transfer intermediates.
Statistical Models for Frame-Semantic Parsing

We present a brief history and overview of statistical methods in frame-semantic parsing – the automatic analysis of text using the theory of frame semantics. We discuss how the FrameNet lexicon and frameannotated datasets have been used by statistical NLP researchers to build usable, state-of-the-art systems. We also focus on future directions in frame-semantic parsing research, and discuss NLP applications that could benefit from this line of work. 1 Frame-Semantic Parsing Frame-semantic parsing has been considered as the task of automatically finding semantically salient targets in text, disambiguating their semantic frame representing an event and scenario in discourse, and annotating arguments consisting of words or phrases in text with various frame elements (or roles). The FrameNet lexicon (Baker et al., 1998), an ontology inspired by the theory of frame semantics (Fillmore, 1982), serves as a repository of semantic frames and their roles. Figure 1 depicts a sentence with three evoked frames for the targets “million”, “created” and “pushed” with FrameNet frames and roles. Automatic analysis of text using framesemantic structures can be traced back to the pioneering work of Gildea and Jurafsky (2002). Although their experimental setup relied on a primitive version of FrameNet and only made use of “exemplars” or example usages of semantic frames (containing one target per sentence) as opposed to a “corpus” of sentences, it resulted in a flurry of work in the area of automatic semantic role labeling (Màrquez et al., 2008). However, the focus of semantic role labeling (SRL) research has mostly been on PropBank (Palmer et al., 2005) conventions, where verbal targets could evoke a “sense” frame, which is not shared across targets, making the frame disambiguation setup different from the representation in FrameNet. Furthermore, it is fair to say that early research on PropBank focused primarily on argument structure prediction, and the interaction between frame and argument structure analysis has mostly been unaddressed (Màrquez et al., 2008). There are exceptions, where the verb frame has been taken into account during SRL (Meza-Ruiz and Riedel, 2009; Watanabe et al., 2010). Moreoever, the CoNLL 2008 and 2009 shared tasks also include the verb and noun frame identification task in their evaluations, although the overall goal was to predict semantic dependencies based on PropBank, and not full argument spans (Surdeanu et al., 2008; Hajič
Visual function and postoperative care after cataract surgery in rural China: study of cataract outcomes and up-take of services (SCOUTS) in the caring is hip project, report 2.

OBJECTIVE
To study the postoperative visual function and uptake of refraction and second-eye surgery among persons undergoing cataract surgery in rural China.


METHODS
Self-reported visual function was measured 10 to 14 months after surgery. Subjects with improvement of 2 or more lines with refraction were offered glasses, and those with significant cataract were offered second-eye surgery.


RESULTS
Among 313 eligible subjects, 242 (77%) could be contacted; 176 (73%) of those contacted were examined. Interviewed subjects had a mean +/- SD age of 69.9 +/- 10.2 years, and 63.6% were female. The mean +/- SD visual function score was 88.4 +/- 12.3, higher than previously reported for cataract programs in rural China and significantly (P = .03) correlated with presenting vision. Forty-two percent of subjects had spectacles, more than half being reading glasses. Though 87% of subjects' vision improved with refraction, only 35% accepted prescriptions, the most common reason for refusal being lack of perceived need. Second-eye surgery was accepted by a total of 48% (85 of 176) of patients, cost being the biggest reason for refusal.


CONCLUSIONS
Visual function was high in this cohort. Potential benefit of refraction and second-eye surgery was substantial, but uptake of services was modest. Programs to improve service uptake should focus on reading glasses and cost-reduction strategies such as tiered pricing.
The Pictorial Representation of Illness and Self Measure (PRISM) instrument reveals a high burden of suffering in patients with chronic urticaria.

BACKGROUND
Chronic urticaria severely affects quality of life. To date, no gold standard has been established to measure the burden of suffering, which often correlates poorly with the skin symptoms observed in patients with chronic urticaria.


OBJECTIVE
To investigate the effect of psychological factors on the course of urticaria.


METHODS
Health-related quality of life was assessed in 95 patients with chronic urticaria using the following instruments: Pictorial Representation of Illness and Self Measure (PRISM), Dermatology Life Quality Index (DLQI), and Skindex-29. Correlations were calculated. Cognitive flexibility and its correlation with the course of urticaria were assessed. Two case reports are presented to further elucidate features of PRISM.


RESULTS
PRISM revealed a high burden of suffering that was consistent with considerably impaired quality of life as measured by DLQI and Skindex-29 in the same patients. However, no significant correlation was observed between PRISM and the 2 quality of life questionnaires. From the baseline visit to the follow-up visit, quality of life scores improved significantly (DLQI, P = .001; Skindex-29, P = .001), whereas the PRISM score remained unchanged (P = .085). Disease course was favorable more often in cognitively flexible patients (n=54) (91%) than cognitively inflexible patients (P = .007).


CONCLUSIONS
PRISM revealed a high burden of suffering in chronic urticaria and provided helpful additional information for the management of these patients. In our cohort, cognitive flexibility was a positive predictive marker for the course of chronic urticaria.
Perceptually Valid Facial Expressions for Character-Based Applications

This paper addresses the problem of creating facial expression of mixed emotions in a perceptually valid way. The research has been done in the context of a “game-like” health and education applications aimed at studying social competency and facial expression awareness in autistic children as well as native language learning, but the results can be applied to many other applications such as games with need for dynamic facial expressions or tools for automating the creation of facial animations. Most existing methods for creating facial expressions of mixed emotions use operations like averaging to create the combined effect of two universal emotions. Such methods may be mathematically justifiable but are not necessarily valid from a perceptual point of view. The research reported here starts by user experiments aiming at understanding how people combine facial actions to express mixed emotions, and how the viewers perceive a set of facial actions in terms of underlying emotions. Using the results of these experiments and a three-dimensional emotion model, we associate facial actions to dimensions and regions in the emotion space, and create a facial expression based on the location of the mixed emotion in the three-dimensional space. We call these regionalized facial actions “facial expression units.”
GPU curvature estimation on deformable meshes

Surface curvature is used in a number of areas in computer graphics, including texture synthesis and shape representation, mesh simplification, surface modeling, and non-photorealistic line drawing. Most real-time applications must estimate curvature on a triangular mesh. This estimation has been limited to CPU algorithms, forcing object geometry to reside in main memory. However, as more computational work is done directly on the GPU, it is increasingly common for object geometry to exist only in GPU memory. Examples include vertex skinned animations and isosurfaces from GPU-based surface reconstruction algorithms.
 For static models, curvature can be pre-computed and CPU algorithms are a reasonable choice. For deforming models where the geometry only resides on the GPU, transferring the deformed mesh back to the CPU limits performance. We introduce a GPU algorithm for estimating curvature in real-time on arbitrary triangular meshes. We demonstrate our algorithm with curvature-based NPR feature lines and a curvature-based approximation for ambient occlusion. We show curvature computation on volumetric datasets with a GPU isosurface extraction algorithm and vertex-skinned animations. Our curvature estimation is up to ~18x faster than a multithreaded CPU benchmark.
Pafnucy - A deep neural network for structure-based drug discovery

Virtual screening is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid this process. Deep learning has recently gained considerable attention as it allows the model to “learn” to extract features that are relevant for the task at hand. We have developed a new deep neural network tailored to estimating the binding affinity of ligandreceptor complexes. The complex is represented with a 3D grid, and the model utilizes a 3D convolution to produce a feature map of this representation, treating the atoms of both proteins and ligands in the same manner. Our network was tested on the CASF “scoring power” benchmark and Astex diverse set and outperformed classical scoring functions. The model, together with usage instructions and examples, is available as a git repository at http://gitlab.com/cheminfIBB/pafnucy
Translation and Law

On St. Jerome’s Day 2012, the specific issue of the relationship between translation and law has formed the subject of a lecture at NHH, Bergen. Law is present in many texts, and legal translators will, in their practice, apply a special perspective characterized by a duplicity of views when approaching them. In the scholarly talk of “translation and the law”, the focus is on two different academic disciplines – Translation Studies and Comparative Law. They do specific research – either on translation theories or on legal systems. And the relationship between both concepts – law and translation – is somewhat unclear at first sight. We might split it up into various questions: 1) What is law, can we translate it? 2) Where is translation in the field of law? 3) What are the special problems of translation here? 1 The purpose of law Law according to its purpose is a system of social convention defined by legislation that regulates the orderly living together of people within their culture. It has been created and developed in history. All aspects of life – in dealing with offence and crime, in trade, in family affairs, in administration, in education, etc. – are governed by law and legislation. The fields where such rules apply are both national and international. And today, there is even global interaction in economy and in the upcoming of hybrid societies, and various concepts of law confront each other. We cannot translate “law” as such. What we can do at first is to compare legal systems. Comparative law is an important field of research today and it concentrates on the differences in the legal concepts. At first sight, the human values seem to be the same for all peoples in the world: internal peace, justice, equality of persons, public order, freedom of speech and of religion, recognized education, punishment of crimes, etc. But the respective ideas are not identical everywhere and their legal treatment is different, according to the cultural background. The difference between existing legal systems is mainly visible in the central concepts regarding those values. The link between both areas of research – Comparative Law and Translation Studies – is the fact that law is deposited, handed down and interpreted within texts, by language. “The law is alive in language” (Arntz 1986: 286), and this is the link to other questions regarding translation. There are texts in various fields of law such as civil, penal, trade, administrative, family, international, European law, etc. We find legal language here, and the translator will approach texts with a double perspective: regarding law and regarding linguistic features. The legal backgrounds in different cultures are decisive. 2 Various legal backgrounds and function of translation There is the well-known difference between the Common Law in the Anglo-Saxon countries with its old history of case law decisions, and the written law in most of the countries on the
A typology of crowdfunding sponsors: Birds of a feather flock together?

This study develops a crowdfunding sponsor typology based on sponsors’ motivations for participating in a project. Using a two by two crowdfunding motivation framework, we analyzed six relevant funding motivations—interest, playfulness, philanthropy, reward, relationship, and recognition—and identified four types of crowdfunding sponsors: angelic backer, reward hunter, avid fan, and tasteful hermit. They are profiled in terms of the antecedents and consequences of funding motivations. Angelic backers are similar in some ways to traditional charitable donors while reward hunters are analogous to market investors; thus they differ in their approach to crowdfunding. Avid fans comprise the most passionate sponsor group, and they are similar to members of a brand community. Tasteful hermits support their projects as actively as avid fans, but they have lower extrinsic and others-oriented motivations. The results show that these sponsor types reflect the nature of crowdfunding as a new form of co-creation in the E-commerce context. 2016 Elsevier B.V. All rights reserved.
Increased physical activity improves sleep and mood outcomes in inactive people with insomnia: a randomized controlled trial.

While high levels of activity and exercise training have been associated with improvements in sleep quality, minimum levels of activity likely to improve sleep outcomes have not been explored. A two-armed parallel randomized controlled trial (N=41; 30 females) was designed to assess whether increasing physical activity to the level recommended in public health guidelines can improve sleep quality among inactive adults meeting research diagnostic criteria for insomnia. The intervention consisted of a monitored program of ≥150 min of moderate- to vigorous-intensity physical activity per week, for 6 months. The principal end-point was the Insomnia Severity Index at 6 months post-baseline. Secondary outcomes included measures of mood, fatigue and daytime sleepiness. Activity and light exposure were monitored throughout the trial using accelerometry and actigraphy. At 6 months post-baseline, the physical activity group showed significantly reduced insomnia symptom severity (F(8,26) = 5.16, P = 0.03), with an average reduction of four points on the Insomnia Severity Index; and significantly reduced depression and anxiety scores (F(6,28) = 5.61, P = 0.02; and F(6,28) = 4.41, P = 0.05, respectively). All of the changes were independent of daily light exposure. Daytime fatigue showed no significant effect of the intervention (F(8,26) = 1.84, P = 0.18). Adherence and retention were high. Internationally recommended minimum levels of physical activity improve daytime and night-time symptoms of chronic insomnia independent of daily light exposure levels.
Boosting for Tumor Classification with Gene Expression Data

MOTIVATION
Microarray experiments generate large datasets with expression values for thousands of genes but not more than a few dozens of samples. Accurate supervised classification of tissue samples in such high-dimensional problems is difficult but often crucial for successful diagnosis and treatment. A promising way to meet this challenge is by using boosting in conjunction with decision trees.


RESULTS
We demonstrate that the generic boosting algorithm needs some modification to become an accurate classifier in the context of gene expression data. In particular, we present a feature preselection method, a more robust boosting procedure and a new approach for multi-categorical problems. This allows for slight to drastic increase in performance and yields competitive results on several publicly available datasets.


AVAILABILITY
Software for the modified boosting algorithms as well as for decision trees is available for free in R at http://stat.ethz.ch/~dettling/boosting.html.
A speculative remark on holography

Abstract Holography suggests a considerable reduction of degrees of freedom in theories with gravity. However it seems to be difficult to understand how holography could be realized in a closed re-contracting universe. In this Letter we claim that a scenario which achieves that goal will eliminate all spatial degrees of freedom. This would require a different concept of quantum mechanics and would imply an intriguing increase of power for the natural laws.
Asset Pricing When Returns Are Nonnormal : Fama-French Factors vs . Higher-order Systematic Co-Moments *

A growing literature contends that, since returns are not normal, higher-order co-moments matter to risk-averse investors. Fama and French (1993, 1995) find that non-market risk factors based on size and book-to-market ratio are priced by investors. We test the hypothesis that the Fama-French factors simply proxy for the pricing of higher-order co-moments. Using portfolio returns over various time horizons, we show that adding a set of systematic comoments (but not standard moments) of order 3 through 10 reduces the explanatory power of the Fama-French factors to insignificance in almost every case. * We are grateful for helpful comments and suggestions from Warren Bailey, Javier Estrada, Wayne Ferson, Campbell Harvey, Raymond Kan, Tae-Hwy Lee, Bruce Lehmann, David Mayers, Mark Rubinstein, Sergei Sarkissian, Mike Stutzer, and an anonymous referee. Chung acknowledges financial support from an A. Gary Anderson Graduate School of Management Summer Research Grant.
The science of fake news

The rise of fake news highlights the erosion of long-standing institutional bulwarks against misinformation in the internet age. Concern over the problem is global. However, much remains unknown regarding the vulnerabilities of individuals, institutions, and society to manipulations by malicious actors. A new system of safeguards is needed. Below, we discuss extant social and computer science research regarding belief in fake news and the mechanisms by which it spreads. Fake news has a long history, but we focus on unanswered scientific questions raised by the proliferation of its most recent, politically oriented incarnation. Beyond selected references in the text, suggested further reading can be found in the supplementary materials.
Childhood maltreatment and social anxiety disorder: implications for symptom severity and response to pharmacotherapy.

BACKGROUND
Childhood maltreatment has been associated with symptom severity, reduced quality of life, and impaired functioning in adults with social anxiety disorder (SAD). No study has investigated how childhood maltreatment impacts pharmacotherapy outcomes in this population, despite evidence for such a link in depression. The current study replicates previous work on childhood maltreatment within SAD and examines its impact on response to pharmacotherapy.


METHODS
One hundred and fifty six individuals seeking treatment for SAD completed the Childhood Trauma Questionnaire, which measures various types of abuse and neglect, along with the measures of symptom severity, quality of life, and disability. Data from a subset of patients enrolled in a paroxetine trial (N = 127) were analyzed to gauge the impact of childhood maltreatment on attrition and treatment response.


RESULTS
All types of maltreatment except for sexual abuse and physical abuse were related to greater symptom severity. Emotional abuse and neglect were related to greater disability, and emotional abuse, emotional neglect, and physical abuse were related to decreased quality of life. Emotional abuse significantly predicted attrition. A time by emotional abuse interaction suggests that for those who stayed the course, the impact of emotional abuse on severity of social anxiety weakened significantly over time.


CONCLUSIONS
Emotional maltreatment was most strongly linked to dysfunction in SAD, despite a tendency in the anxiety literature to focus on the effects of sexual and physical abuse. Additionally, individuals reporting emotional abuse were more likely to dropout from pharmacotherapy, but those who stayed the course displayed similar outcomes to those without such a history.
Quantifying the User Experience: Practical Statistics for User Research

You're being asked to quantify usability improvements with statistics. But even with a background in statistics, you are hesitant to statistically analyze the data, as you may be unsure about which statistical tests to...