bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers
Authors: Tyzack Jonathan D , Mussa Hamse Y , Williamson Mark J , Kirchmair Johannes , Glen Robert C 
Published: May 2014

Abstract

Background
The prediction of sites and products of metabolism in xenobiotic compounds is key to the development of new chemical entities, where screening potential metabolites for toxicity or unwanted side-effects is of crucial importance. In this work 2D topological fingerprints are used to encode atomic sites and three probabilistic machine learning methods are applied: Parzen-Rosenblatt Window (PRW), Naive Bayesian (NB) and a novel approach called RASCAL (Random Attribute Subsampling Classification ALgorithm). These are implemented by randomly subsampling descriptor space to alleviate the problem often suffered by data mining methods of having to exactly match fingerprints, and in the case of PRW by measuring a distance between feature vectors rather than exact matching. The classifiers have been implemented in CUDA/C++ to exploit the parallel architecture of graphical processing units (GPUs) and is freely available in a public repository.

Results
It is shown that for PRW a SoM (Site of Metabolism) is identified in the top two predictions for 85%, 91% and 88% of the CYP 3A4, 2D6 and 2C9 data sets respectively, with RASCAL giving similar performance of 83%, 91% and 88%, respectively. These results put PRW and RASCAL performance ahead of NB which gave a much lower classification performance of 51%, 73% and 74%, respectively.

Conclusions
2D topological fingerprints calculated to a bond depth of 4-6 contain sufficient information to allow the identification of SoMs using classifiers based on relatively small data sets. Thus, the machine learning methods outlined in this paper are conceptually simpler and more efficient than other methods tested and the use of simple topological descriptors derived from 2D structure give results competitive with other approaches using more expensive quantum chemical descriptors. The descriptor space subsampling approach and ensemble methodology allow the methods to be applied to molecules more distant from the training data where data mining would be more likely to fail due to the lack of common fingerprints. The RASCAL algorithm is shown to give equivalent classification performance to PRW but at lower computational expense allowing it to be applied more efficiently in the ensemble scheme.
Association of diabetic peripheral arterial disease and objectively-measured physical activity: NHANES 2003-2004
Authors: Loprinzi Paul D , Abbott Kalen 
Published: May 2014

Abstract
Background
Although much is known about the management of peripheral arterial disease among adults in the general population, the management of this disease among those with diabetes, and the effects of diabetic-induced peripheral arterial disease on objectively-measured physical activity, is unclear. Here, we examined the association between accelerometer-assessed physical activity and peripheral arterial disease among a national sample of U.S. adults with diabetes.

Methods
Data from the 2003–2004 National Health and Nutrition Examination Survey were used. Physical activity was measured using an accelerometer in 254 adults with diabetes. Peripheral arterial disease was assessed via ankle brachial index. Negative binomial regression analysis was used to examine the association between physical activity and peripheral arterial disease.

Results
Results were adjusted for age, gender, race-ethnicity, comorbidity index, smoking, HgbA1C, C-reactive protein, homocysteine, glomerular filtration rate, microalbuminuria, peripheral neuropathy, physical functioning, and medication use. After adjustments, participants with peripheral arterial disease engaged in 23% less physical activity (RR = 0.77, 95% CI: 0.62-0.96) than those without peripheral arterial disease.

Conclusions
These findings demonstrate an inverse association between accelerometer-assessed physical activity and peripheral arterial disease in a national sample of U.S adults with diabetes.
Rapid ultra-performance liquid chromatography assay of losartan potassium in bulk and formulations
Authors: Ahmad Tarab J , Raj Amruth , Radhika Rayapura T , Ananda Sannaiah , Gowda Netkal M , Venkatesha Bellale M 
Published: May 2014

Abstract

Background
Losartan potassium is a non-peptide AT1 receptor drug used in the treatment of hypertension.

Methods
A simple, rapid, sensitive, and validated isocratic reverse-phase ultra-performance liquid chromatographic (RP-UPLC) method was developed and validated for the determination of losartan potassium (LOS) in bulk drug and tablets. The assay was developed using Waters Acquity BEH C18 (100 mm × 2.1 mm), 1.7-μm column with a mobile phase consisting of a mixture of phosphate buffer (pH 3.2) and acetonitrile (50:50 v/v).

Results
An assay with a total run time of only 5 min was developed. The method monitored at 245 nm exhibited linearity over a concentration range of 2.0 to 15.0 μg mL−1 LOS. The limits of detection and quantification (signal-to-noise ratio (S/N) = 10) were found be 0.018 and 0.054 μg mL−1, respectively. The intraday and interday RSDs were less than 1.0%. The method was validated by the determination of LOS levels in tablets where the percentage on the label claim was 100 ± 2. The accuracy of the method was further ascertained by recovery studies via the standard addition procedure, which yielded satisfactory results.

Conclusion
A rapid UPLC assay of LOS in bulk drug and tablets was developed and validated.
Annulated Borepin-1-ol: Coordinative Control of Aromaticity and Photophysical Properties
Authors: Lee Hyekyung , Cha Inhwan , Lee Eun Ji , Lee Yunmi , Kim Yong Ho , Song Changsik 
Published: May 2014

Abstract
Annulated borepinol 1 was designed and synthesized. Borepinol 1 exhibited aromaticity that could be controlled by coordination at the boron center. Disrupted coordination by nucleophiles resulted in blue shifts in the UV–vis spectra, and this coordination was affected by the molecular structure of the nucleophiles. Borepinol 1 appeared to selectively bind to dopamine over norepinephrine, which are normally difficult to differentiate.
Direct Fabrication of LaTiO2N Photoanode for Visible-light-driven Water Splitting
Authors: Izawa Chihiro , Watanabe Tomoaki 
Published: May 2014

Abstract
This study demonstrates direct fabrication of a visible-light-responsive LaTiO2N film via nitridation of the La2Ti2O7 film hydrothermally prepared on a titanium substrate as an oxide precursor. The thickness and surface morphology of the film were not significantly affected by nitridation. An anodic photocurrent was observed for the LaTiO2N film fabricated using colloidal IrO2 as a cocatalyst for the oxidation of water, indicating the oxidation of water. This implies that the fabricated LaTiO2N film functions as an n-type semiconductor electrode under visible-light irradiation.
Elaboration of Measures for Improvement of Labor Conditions and Labor Protection of Agro-Industrial Complex Workers
Authors: Гаврикова  , Gavrikova E. 
Published: May 2014

The analysis related to air’s bacterial content in working zone of livestock and poultry-farming rooms, and plants on
utilization of veterinary and sanitary rejects has been carried out. Regression dependences between bacterial aerosol
concentration, level of immunity and incidence of workers have been established. An overall having higher protective
characteristics at contact with bacterial factor on comparison with existing overalls has been developed. A way and device
for express definition of microorganisms’ content in overalls materials have been offered. Extraction of microorganisms
from overalls’ fabrics and materials is carried out by condensation method on Peltier module cooled surface. Calculation
of module’s elements has been made. A new disinfecting additive to detergent based on peroxide compounds allowing
combine operations of special clothes’ washing and disinfection has been developed and approved in laboratory conditions.
Precision Versus Fuzziness: An Analysis of the Discreteness of Linguistic Signs
Authors: Zhuanghuan Ma 
Published: May 2014

Abstract
Discreteness, one of the design features of language, along with arbitrariness, etc., makes language much more flexible, productive and precise than other communicative systems. Although it mainly applies to the description of the secondary level of language structure, discreteness can also explain meaningful units, such as morphemes or words, at the primary level. Due to its discreteness, language is regarded, in semiotics, as "digital", in contrast with "analogical". Partially owing to the discreteness or discontinuity, language enables humankind to conceptualize and perceive the world and themselves with a kind of precision. However, this does not mean that language can mirror the world. Actually many things ( especially intangible things) in the world are not so discrete but rather gradable or continuous. Therefore, linguistic signs or words used to deal with them do not match them absolutely. There are gaps between words and what they refer to. To deal with this gap, sense and reference, two aspects of meaning, are employed in this paper, though with certain modification. While the sense of a word (or its dictionary meaning) is explicitly definable, its referential meaning may not. Some emotive and evaluative words may have certain variation of references continuously on a scale though their senses are discrete. Some common nouns' extensions or their referential meanings are also continuous. Words of this kind are found vague or fuzzy though they are clearly definable and in contrast in their senses. It is a worthwhile effort to probe into the nature of discreteness in both linguistic and semiotic contexts. To do this job presupposes reconsidering the classification of meaning, especially when taking into account the dichotomy between precision and vagueness of linguistic signs.
A Semiotic Study of Characters in French Novels
Authors: Qiuxia Dai , Xinmu Zhang 
Published: May 2014

Abstract
This paper presents a semiotic study of characters in French novels. It consists of two parts. Part I considers two types of characters: narration characters and action characters, divided according to their different functions in novels. Part II analyzes the elements of semiotic representation of characters: name, person, discourse and so on. We can make use of semiotic studies of characters in France to shed some light on our own researches on characters and promote the development of researches on novel characters.
Self-constructive Ability of Individual Cognitive Semantic Network
Authors: Baojia Li 
Published: May 2014

Abstract
The essence of language is the vivid and dramatic behavior with which human beings express their own feelings, and linguistic system is a semantic network established on the basis of categorization of entities of cognitive symbols and categorical relevance. Individuals have the ability to construct semantic network on the basis of cognitive experiences and linguistic environment. During the process of children' s acquiring their mother tongue, on the one hand, the image of the event to be expressed, with the development of cognitive ability, is separated from the scene, i. e., " particalization of images" or "iexicaiization of expressions"; on the other hand, through the link between the images, the expressive model has been gradually formed on the basis of semantic twisting mechanism, i. e . , "structuralization of images" or "syntacization of expressions". The information to be expressed either by adults or by children in the linguistic communication is complete, and the complementarity between the situational symbol and linguistic symbol is inverse ratio. The nonverbal "cognitive syntactic structure" is prior to the linguistic symbols' " cognitive syntactic structure". In discourse acts, the arrangement of syntactic categories is mainly based on the pragmatic strategies used in specific contexts.
Cassirer’s Cultural Semiotics in Operation
Authors: Hu Geok , Florence  , Yap  
Published: May 2014

Abstract
In my paper, I will attempt to reiterate Cassirer's three stages of the development of the symbolic form, namely, mimetic, analogical, and symbolic, in the Peircean triad, which presents the emergent characteristic of the sign in the metamorphosis of the myth. This is to give a more specific representation of the transformation of the mythical object in the texts. Although there is no evidence of succession of Peircean semeiotics by Cassirer, the Peircean general law of sign can better explicate the metamorphic quality of Cassirer's theory of myth. Finally, I will explain how the specific "original object", plays an important and central role in the construction of the mythical worldview.
Introducing Tartu Semiotics for Chinese Semiosphere
Authors: Kull Kalevi 
Published: May 2014

Abstract
With this issue, Chinese Semiotic Studies introduces a section on the Tartu Semiotics School. This regular feature, appearing potentially in every issue, is justified by several arguments: this school has been persisting on the semiotic scene already since the 1960s; this is the school that founded the semiotics of culture and actively studied it ever since; the Tartu school has the potential to bridge the different approaches of semiotics-structuralist and dynamic, Western and Eastern, cultural and biological; and, as it is situated on many boundaries, the Tartu Semiotics School may be used as a source for creative ideas or new approaches.
On achieving minimal size test sets for scan designs
Authors: Reddy Sudhakar M. , Zhang Zhuo 
Published: May 2014

Abstract
In this paper we provide experimental evidence that digital VLSI circuit
designs using an earlier proposed DFT method called segmented scan may be testable using
fewer tests than needed for unsegmented scan versions of the same designs.
Results on ISCAS 89 benchmark circuits show that the test set sizes for
detecting stuck-at faults in segmented scan designs may be lower than the
lower bounds on test set sizes for unsegmented scan versions. Thus,
segmented scan design may be a way to achieve minimal test set sizes for
digital VLSI circuits.
Testing for gate oxide short defects using the detectability interval paradigm
Authors: Galliere Jean-Marc , Azais Florence , Comte Mariane , Renovell Michel 
Published: May 2014

Abstract
This paper addresses the detection improvement of Gate Oxide Short defect using a delay test strategy. To achieve this objective, the concept of detectability interval is first introduced in the context of detection of short defects using Boolean test technique. Then this paradigm is extended to the detection of Gate Oxide Short defects using delay testing. Finally, it is shown that it is possible to significantly improve the detection of this kind of defect.
Detoxification of Echis ocellatus venom-induced toxicity by Annona senegalensis Pers
Authors: Emmanuel Amlabu , Ebinbin Ajagun , Amlabu Wandayi 
Published: May 2014

Abstract
Different fractions (I–V) of the methanolic leaf extracts of Annona senegalensis were assessed for their anti-snake venom activities. Fractions III neutralized lethal toxicity induced by Echis ocellatus venom and manifested the same potency as the crude extracts against the venom. The anti-snake venom activity of fraction III was clearly shown by the complete abrogation of venom-induced haemorrhage and the 75% record of surviving mice which were injected with a pre-incubate of venom and extract in the ratio 1:30 w/w after a 24 h. Also, fraction III exhibited a weak inhibitory effect on fibrinogen clotting activity of this venom. The key phytochemicals mediating the activity of this fraction are flavonoids and tannins. The detoxification of this venom by fraction III and the possible mode of action in the pathology of snake envenoming is discussed in this report.
Party System Institutionalization: The Cases of Italy and the Federal Republic of Germany
Authors: Castaldo Antonino 
Published: May 2014

AbstractInstitutionalization processes are among the topics most researched by the literature on party systems. This literature is advanced and the debate has led to the construction of effective theoretical models. However, there are still discernible problems of different magnitudes: a) quite often the dynamic dimension related to the institutionalization of a party system and the static dimension, which detects an institutionalized party system (i.e., the outcome of a process of institutionalization) are not sufficiently distinct in the literature; b) static analysis has gathered comparatively much more attention; c) the literature dealing with the dynamic dimension of the problem does not adequately consider the interaction of causal, macro and idiosyncratic factors. This paper aims at dealing with these problems through the elaboration of a set of suggestions constituting a guide for the empirical analysis tested on the Italian and German cases during the 1940s and 1950s. This research shows that a greater attention to the dynamic analysis and to possible interactions among causal factors is able to enhance the understanding of the processes considered. Moreover, this approach provides us with crucial information on how a party system emerges and on how it consolidates itself.
Corpora and (the Need for) Other Methods in a Study of Lancashire Dialect
Authors: Hollmann Willem , Siewierska Anna 
Published: May 2014

Abstract
This paper is based on a nascent project on Lancashire dialect grammar, which aims to describe the relevant features of this dialect and to engage with related theoretical and methodological debates. We show how corpora allow one to arrive at more precise descriptions of the data than was previously possible. But we also draw attention to the need for other methods, in particular modern elicitation tasks and attitude questionnaires developed in perceptual dialectology. Combining these methods promises to provide more insight into both more general theoretical issues and the exact nature of the object of study, namely Lancashire dialect.
The Pediatric AIDS Corps: A 5-Year Evaluation
Authors: Schutze Gordon E. , Ferris Margaret G. , Jones David C. , Wanless R. Sebastian , Calles Nancy R. , Mizwa Michael B. , Schwarzwald Heidi L. , Kline Mark W. 
Published: May 2014

BACKGROUND:
The Baylor College of Medicine International Pediatric AIDS Initiative at Texas Children’s Hospital created a global health corps named the Pediatric AIDS Corps (PAC) in June 2005. This report provides descriptive details and outputs for PAC over its first 5 years.

METHODS:
Demographic data were gathered about PAC physicians employed from July 2006 to June 2011. A 21-question survey was used to query PAC physicians about their experiences in the program. Data concerning clinical experiences and educational programs also were reviewed.

RESULTS:
A total of 128 physicians were employed with PAC. The median duration served was 22.7 months. Eighty-seven percent indicated that experience affected their future career choice, with half continuing to work with children and families living in resource-limited areas after they left PAC. Patient care was identified as the most rewarding part of their work (73%), whereas deaths (27%) were the most difficult. Baylor College of Medicine International Pediatric AIDS Initiative enrollment of HIV-infected children and adolescents into care and treatment increased from 6107 to103 731 with the addition of PAC physicians. Approximately 500 local health care professionals per quarter benefited from HIV clinical attachments that were not available before PAC arrival. PAC physicians visited outreach sites providing in-depth HIV mentoring of local health care professionals, leading to 37% of the sites becoming self-sufficient.

CONCLUSIONS:
The positive evaluation by the PAC and the scale-up of clinical and educational programs support the recent calls for the development of a national global health corps program.
Intellectual, Behavioral, and Emotional Functioning in Children With Syndromic Craniosynostosis
Authors: Maliepaard Marianne , Mathijssen Irene M.J. , Oosterlaan Jaap , Okkerse Jolanda M.E. 
Published: May 2014

OBJECTIVES:
To examine intellectual, behavioral, and emotional functioning of children who have syndromic craniosynostosis and to explore differences between diagnostic subgroups.

METHODS:
A national sample of children who have syndromic craniosynostosis participated in this study. Intellectual, behavioral, and emotional outcomes were assessed by using standardized measures: Wechsler Intelligence Scale for Children, Third Edition, Child Behavior Checklist (CBCL)/6-18, Disruptive Behavior Disorder rating scale (DBD), and the National Institute of Mental Health Diagnostic Interview Schedule for Children.

RESULTS:
We included 82 children (39 boys) aged 6 to 13 years who have syndromic craniosynostosis. Mean Full-Scale IQ (FSIQ) was in the normal range (M = 96.6; SD = 21.6). However, children who have syndromic craniosynostosis had a 1.9 times higher risk for developing intellectual disability (FSIQ &lt;85) compared with the normative population (P &lt;.001) and had more behavioral and emotional problems compared with the normative population, including higher scores on the CBCL/6-18, DBD Total Problems (P &lt; .001), Internalizing (P &lt; .01), social problems (P &lt; .001), attention problems (P &lt; .001), and the DBD Inattention (P &lt; .001).
Children who have Apert syndrome had lower FSIQs (M = 76.7; SD = 13.3) and children who have Muenke syndrome had more social problems (P &lt; .01), attention problems (P &lt; .05), and inattention problems (P &lt; .01) than normative population and with other diagnostic subgroups.

CONCLUSIONS:
Although children who have syndromic craniosynostosis have FSIQs similar to the normative population, they are at increased risk for developing intellectual disability, internalizing, social, and attention problems. Higher levels of behavioral and emotional problems were related to lower levels of intellectual functioning.