jimnoneill/paper-to-field-training huggingface dataset:
Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry

Field: Chemistry (Physical Sciences)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTCelebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical ChemistryZoe Cournia*Zoe CourniaBiomedical Research Foundation, Academy of Athens, 11527 Athens, Greece*(Z.C.) E-Mail: [email protected]More by Zoe Courniahttps://orcid.org/0000-0001-9287-364X, Thereza A Soares*Thereza A SoaresDepartment of Chemistry, University of São Paulo, 14040-901 Ribeirão Preto, BrazilHylleraas Centre for Quantum Molecular Sciences, University of Oslo, 0315 Oslo, Norway*(T.A.S.) E-Mail: [email protected]More by Thereza A Soareshttps://orcid.org/0000-0002-5891-6906, Habibah A Wahab*Habibah A WahabSchool of Pharmaceutical Sciences, Universiti Sains Malaysia, 11800 Minden, Pulau Pinang, Malaysia*(H.A.W.) E-Mail: [email protected]More by Habibah A Wahabhttps://orcid.org/0000-0002-8353-8679, and Rommie E. Amaro*Rommie E. AmaroDepartment of Chemistry and Biochemistry, University of California, 3234 Urey Hall, #0340, 9500 Gilman Drive, La Jolla, 92093-0340 San Diego, California, United States*(R.E.A.) E-Mail: [email protected]More by Rommie E. Amarohttps://orcid.org/0000-0002-9275-9553Cite this: J. Chem. Inf. Model. 2022, 62, 24, 6287–6291Publication Date (Web):December 26, 2022Publication History Received6 December 2022Published online26 December 2022Published inissue 26 December 2022https://pubs.acs.org/doi/10.1021/acs.jcim.2c01543https://doi.org/10.1021/acs.jcim.2c01543editorialACS PublicationsCopyright © 2022 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views1760Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (1 MB) Get e-AlertscloseSUBJECTS:Inhibitors,Molecular mechanics,Monte Carlo simulations,Peptides and proteins,Receptors Get e-Alerts
Reflections on shifts in the work identity of research team members

Field: Psychology (Social Sciences)

Orientation: This study explores shifts in the work identity of individual members of a research team.Research purpose: The aim of the study is to explore shifts in work identity experienced by individual research team members during a project wherein they were studying work identity themselves.Motivation for the study: This study seized the opportunity to do research on the shifts in work identify experienced by researchers whilst they were studying work identify as part of the South African–Netherlands Project for Alternatives in Development. This allowed the researcher the rather novel opportunity of conducting research on researchers and resulted in the project as a whole occurring at a dual level of analysis.Research approach, design and method: Using thematic analysis methodology in the context of qualitative field research, 10 semi-structured interviews were conducted with five participants, all of them part of the research team who were themselves involved in conducting research on work identity. The sixth member of the research team, who is also one of the authors of this article, presented data related to shifts in her own work identity in her dissertation as an autoethnographic account. For purposes of this article, she is referred to as Participant 6. Given the multiple research team members, each one of whom constituted an individual case, the researcher made use of a multiple case study approach whilst focusing on the intrinsic case. The holistic nature of description found in the case study involved every aspect of the lives of the research team members. Analysis was done by means of content analysis.Main findings: In exploring the shifts in work identity experienced by individual research team members, it was discovered that finding meaning and purpose in the professional activities participants engaged in was of critical importance. Contextual realities and the way in which individuals approached the possibility of shifts also seemed to play a significant role. Both these aspects influenced the possibility of engagement with new peer groups, contacts and role models to explore various aspects of self in order to make a transition or shift. The findings lastly emphasised work identity as fluid and as entailing an element of performance. Irrespective of their life and career stage, all participants were engaged in processing possible selves.Practical/managerial implications: This study has implications for organisations looking to improve productivity through an understanding of work identity. The broader project originated from the premise that work is central to building individual identity and is influenced by job and individual characteristics. It is proposed that these factors could influence work performance and, accordingly, impact on organisational performance.Theoretical contribution: An application for shifts in work identity is done by positioning such shifts in a framework proposed by Ibarra. The study confirms that the proposed framework is suitable for application to shifts in work identity
Jimmy Swift Band Live at Daniel's on 2004-12-21

Field: Arts and Humanities (Social Sciences)

DISC 1 01 Tongue tied 02 Anhedonia 03 When worlds collide 04 Now and then 05 Bumps in the road 06 Up in arms 07 Downtown 08 Faceless 09 Aah yeah DISC 2 01 Now they will know..pt 1 02 Now they will know..pt 2 03 Two hands on the wheel 04 80's runway model 05 Commotion 06 Astronauts... 07 Creepin 08 Salsa on the roof
Visual Attention Shift based on Image Segmentation Using Neurodynamic System

Field: Computer Science (Physical Sciences)

3 Abstract A method of predicting visual attention shift is proposed based on image segmentation using neurodynamic system in this paper. The input image is mapped to a neural oscillator network. Each oscillator corresponding to a pixel is modeled by means of simplified Wilson-Cowan equations, and is coupled with its 8- nearest neighbors. Then the image is segmented by classifying the oscillation curves of the excitatory groups of all the oscillators. The classifier is constructed based on features of frequency, offset, phase and amplitude of the curves. The visual attention shift between the regions on the image is predicted according to the saliency strength of each region. Referring to the mechanism of winner-take-all competition, the saliency of a region is the aggregation of the dissimilarities between this region and all the other ones. Experimental results on images show the effectiveness of our method.
Sex differences in postprandial responses to different dairy products on lipoprotein subclasses: a randomised controlled cross-over trial

Field: Medicine (Health Sciences)

Abstract Men have earlier first-time event of CHD and higher postprandial TAG response compared with women. The aim of this exploratory sub-study was to investigate if intake of meals with the same amount of fat from different dairy products affects postprandial lipoprotein subclasses differently in healthy women and men. A total of thirty-three women and fourteen men were recruited to a randomised controlled cross-over study with four dairy meals consisting of butter, cheese, whipped cream or sour cream, corresponding to 45 g of fat (approximately 60 energy percent). Blood samples were taken at 0, 2, 4 and 6 h postprandially. Lipoprotein subclasses were measured using NMR and analysed using a linear mixed model. Sex had a significant impact on the response in M-VLDL ( P =0·04), S-LDL ( P =0·05), XL-HDL ( P =0·009) and L-HDL ( P =0·001) particle concentration (P), with women having an overall smaller increase in M-VLDL-P, a larger decrease in S-LDL-P and a larger increase in XL- and L-HDL-P compared with men, independent of meal. Men showed a decrease in XS-VLDL-P compared with women after intake of sour cream ( P &lt;0·01). In men only, XS-VLDL-P decreased after intake of sour cream compared with all other meals ( v . butter: P =0·001; v . cheese: P =0·04; v . whipped cream: P =0·006). Meals with the same amount of fat from different dairy products induce different postprandial effects on lipoprotein subclass concentrations in men and women.
The impact of TikTok The Impact of TikTok: Investigating the Effect of TikTok on High School Student’s Academic Performance

Field: Social Sciences (Social Sciences)

This study investigates the impact of the app TikTok on High School students, with a focus on student’s academic performance. Conducted through a survey method, these analyses on high school students study the factors that influence their abilities to perform well in school, and are vital to understanding the future of the next generation’s education. Quantitative methods and data analysis revealed the difference in methods of studying between underperforming and high performing students showed the difference in study approaches as well as their approach to social media. Other factors such as concerns regarding the apps impact on student’s self-esteem and content that can negatively impact a person can reflect on their academic performance. The study concluded by offering insight on the need for more focus on helping students transcend the academic rank and provide them with the tools needed to succeed.
Social Segregation and Periurbanisation

Field: Social Sciences (Social Sciences)

France has 14,930 periurban communes (a commune is the lowest tier of local government in France) that cover one-third of the territory, among which 90% are rural communes. The periurbanisation movement is often associated with social segregation in cities. We explain the reasons behind this. For two decades, the average commune income per household has progressed in the periurban areas and declined in the urban centres, showing a relative enrichment of these areas. However, executives are more centrally located than workers, who are overrepresented in the more distant periurban communes. Moreover, we observe an intensification of segregation within the urban hubs.
Structural transitions in bacteriophages Pf3 and Xf.

Field: Biochemistry, Genetics and Molecular Biology (Life Sciences)

Laser-Raman spectra of filamentous bacteriophages Pf3 and Xf show that the coat protein subunits in each phage are predominantly alpha-helical. However, the subunits of both viruses are converted to beta-sheet structures by raising the temperature. The transition temperature depends upon phage concentration and solution ionic strength. Cooling of the solutions returns both viruses from their beta-states to alpha-states similar to the native structures. Through prolonged heating at temperatures above 80 degrees C, the "beta-sheet" of Pf3 can be irreversibly converted to a second alpha-helical structure which is distinct from the structure in the native phage. The spectra also show that aromatic amino acid residues of Pf3 and Xf undergo dramatic changes in molecular environment in the alpha in equilibrium with beta transitions. The Raman spectra provide little of either Pf3 or Xf, although bands characteristic of classical A-type and B-type structures are not observed. The combined results are of significance with regard to both the interpretation of fiber X-ray diffraction patterns of filamentous phages and the mechanism of virion assembly.
Prestack Layerstripping Evaluation – Constant Rotation and Shift Operators in HTI/TTI Media

Field: Earth and Planetary Sciences (Physical Sciences)

E009 PRESTACK LAYERSTRIPPING EVALUATION: CONSTANT ROTATION AND SHIFT OPERATORS IN HTI/TTI MEDIA Abstract 1 Prestack layer stripping was applied to azimuthally anisotropic (HTI and TTI) synthetic seismic data sets for evaluating constant rotation and shift operators. Equivalent isotropic models were compared to layer-stripped anisotropic models using RMS amplitude and shear-wave splitting time difference maps to quantify and qualify the error. It is found that in HTI media layer-stripped radial and transverse components exhibited incorrect symmetry and orientations and there are significant distortions in the amplitudes that could adversely affect inversion and/or AVO and AVAZ analysis. However layer-stripped PS1 and PS2
Delayed Eruption of the Deciduous Teeth

Field: Dentistry (Health Sciences)

歯の萌出遅延には全身的な原因や局所的原因には腫瘍, 嚢胞など様々あるが, 乳歯の萌出遅延の頻度は永久歯に比べ非常に少ないと言われている. しかし, 乳歯の萌出遅延した状態を長期に放置しておくと, 舌突出癖などの口腔習癖を招くばかりでなく, 対合歯の挺出などの不正咬合やひいては後継永久歯への影響も大きい. よって, 乳歯の萌出遅延の早期発見と早期治療を行うことは永久歯咬合誘導上重要である. 今回は乳歯萌出遅延症例の対応法について報告する.乳歯は, 乳中切歯, 乳側切歯, 第一乳臼歯, 乳犬歯, 第二乳臼歯の順に萌出するので, 保護者や一般歯科医にはわかりにくい. 通常, 乳歯咬合完成期 (Hellman歯齢IIA期) は平均2.5±0.35歳である. したがって, 少なくとも3歳ころには全ての乳歯は萌出していることになる. 遅くとも4歳ころまでに乳歯の萌出遅延の診断ができるようになると, その後の治療の困難性や後継永久歯への影響を最小限にすることができるのではないかと推察する.
Lectotype of Phacops rana milleri Stewart, 1927 (Trilobita, Devonian of Ohio)

Field: Earth and Planetary Sciences (Physical Sciences)

The trilobite Phacops rana var. milleri Stewart, 1927, was based on five specimens collected from the Silica Shale (Middle Devonian) in a quarry formerly owned by the Sandusky Cement Company, near Silica, Lucas County, Ohio. The “cotypes” (=syntypes of modern terminology) were catalogued as number 16266 in the Orton Geological Museum of The Ohio State University. Study of specimens in the OSU collection reveal four extant syntypes belonging to two subspecies of Phacops rana (Green, 1832). Three complete specimens and one separate eye are represented. A cephalon mentioned by Stewart (1927, p. 59) is missing and presumed lost. Of the extant specimens, three belong to P. rana milleri and one belongs to P. rana crassituberculata Stumm, 1953.
Elizabeth B. Bentley, ed., George Cumberland, The Emigrants <i>or</i> A Trip to the Ohio, <i>a Theatrical Farce (1817)</i>

Field: Arts and Humanities (Social Sciences)

Elizabeth B. Bentley’s edition of George Cumberland’s The Emigrants, or, A Trip to the Ohio makes available for the first time this previously unpublished and unperformed play by one of William Blake’s closest associates. Bentley painstakingly edited and transcribed this play, currently existing only in a single fair copy held in special collections at Victoria University (Toronto); the book provides a photographic reproduction of the manuscript following her transcription. Editorial apparatus includes “Characters in the Dramatis Personae,” “The Date of the Farce,” notes on the manuscript and its transcription, descriptions of scene designations and stage directions, and explanations of speech headings, punctuation, capitalization, spelling, and corrected misspellings, all of which are well supported by footnotes. To these Bentley adds an extensive bibliography and an index of names along with two appendices, one listing her addition of parentheses when necessary and the other listing further editorial interventions in Cumberland’s punctuation. Angus Whitehead’s preface locates Cumberland’s play in respect to its antecedents in British drama, while Bentley’s introductory biography contextualizes it within Cumberland’s relationship to the theater and his sources.
Street Art and the Environment

Field: Arts and Humanities (Social Sciences)

Can art change the world?Issues like climate change and unsustainable natural resource consumption are climbing ever higher on the international political agenda. Scientific reports, media coverage and information campaigns advise the public about these complex matters, including the environmental impact of human activity. It can however be difficult to engage people with facts and figures alone.This book examines a number of environment-themed artistic interventions. It suggests that street art, partly due to its unauthorised placement in everyday settings, is well-suited to shift attitudes and behaviours. The book also considers how online viewing may affect the experience of artworks and, in turn, their potential to influence people regarding the environment.Peter Bengtsen is an art historian and sociologist. He has been writing about street art since 2006. His first book, "The Street Art World", was published by Almendros de Granada Press in 2014.
SH0810651.10FU

Field: Biochemistry, Genetics and Molecular Biology (Life Sciences)

UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
Optimizing to arbitrary NLP metrics using ensemble selection

Field: Computer Science (Physical Sciences)

While there have been many successful applications of machine learning methods to tasks in NLP, learning algorithms are not typically designed to optimize NLP performance metrics. This paper evaluates an ensemble selection framework designed to optimize arbitrary metrics and automate the process of algorithm selection and parameter tuning. We report the results of experiments that instantiate the framework for three NLP tasks, using six learning algorithms, a wide variety of parameterizations, and 15 performance metrics. Based on our results, we make recommendations for subsequent machine-learning-based research for natural language learning.
Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex

Field: Chemistry (Physical Sciences)

Radical hydrodehalogenation of aryl halides (Ar–X; X = Cl, Br, I) is achieved in the presence of atmospheric pressure H2 as a H-atom donor using a Co(I) catalyst bearing a phenanthroline-based PNNP ligand (2,9-bis((diphenylphosphanyl)methyl)-1,10-phenanthroline). The reaction proceeds under mild conditions (1 atm H2) and is applicable to aryl bromides and aryl chlorides with various functional groups. A mechanistic study revealed that the PNNP–Co complex underwent facile H–H cleavage and facilitated a H-atom transfer. This process is mediated by a long-range metal–ligand cooperation of the PNNP–Co system, which includes the dearomatization/aromatization sequence of the phenanthroline ligand backbone. A radical clock experiment demonstrated the Ar–X bond cleavage via a radical mechanism. Further kinetic study supported that the rate-determining step includes electron transfer from the Co center to the substrate, affording a radical pair ArX•– and an odd-electron metal-halide complex [Co(II) + ArX•–]⧧ as a transition state.
INHERITANCE MECHANISM REALIZATION DURING ELECTRONIC DEVELOPMENT OF EDUCATIONAL PROGRAMS

Field: Computer Science (Physical Sciences)

The article describes the implementation of the mechanism of inheritance of educational programs in the process of electronic development of educational documentation of the university. The purpose of the inheritance mechanism is to improve the processes of automated development of educational programmes and to ensure internal consistency of educational documentation. In the course of the study, the concept of inheritance of educational programs was introduced as a mechanism to take into account the information of parental educational programs when describing the elements of subsidiary programs corresponding to this information. The possibilities of applying the inheritance mechanism in situations: 1) preparation of documentation of similar programs implemented on different forms of training are disclosed; 2) creation of different versions of documentation of educational programs, depending on the year of reception; 3) creating one child program based on several parents; 4) multiple inheritance of a series of related educational programs. Functional requirements for the educational program development tool system are described for each of the above situations. Actual data on the impact of the inheritance mechanism in the development of educational programmes are presented. Thus, the inheritance of educational programs is an effective mechanism for developing educational documentation in an electronic environment. This mechanism significantly reduces the cost of developing similar programs, as well as improving the quality of the university 's educational documentation by improving the consistency of its parts.
Recurrent sympathetic ophthalmitis

Field: Medicine (Health Sciences)

Sympathetic ophthalmitis (SO) is a rare, bilateral granulomatous uveitis occurring after perforating eye injury or ocular surgical procedure to one eye. The pathophysiology of this entity is not clearly understood, but an autoimmune hypersensitivity reaction against exposed ocular antigens in the injured eye is believed to be responsible for this disease. In this article, we present a patient with clinical diagnosis of SO with it recurrence.
An immunomagnetic epithelial tumor cell enrichment model for minimal residual disease detection of cytokeratin 8+ malignancies.

Field: Medicine (Health Sciences)

Immunocytochemical detection of isolated tumor cells in peripheral blood and bone marrow is currently the most established method for monitoring early dissemination in epithelial cancer. In this study we used an immunomagnetic selection technique to develop an enrichment model for disseminated tumor cells in blood. Buffy coat cells spiked with varying numbers of BT-474 carcinoma cells were permeabilized and fixed, following which carcinoma cells were magnetically labelled with an anti-cytokeratin 8 mAb. Labelled cells were enriched by the use of magnetic columns. The eluted cytokeratin 8+ tumor cells were detected by flow cytometry and immunocytochemistry. Spiked samples were split and processed freshly in the immunomagnetic enrichment assay, as well as cryopreserved and processed in the assay after thawing. Enumeration of BT-474 cells demonstrated a detection limit of one BT-474 cell in 1.0 x 10(7) leukocytes in both fresh and cryopreserved-thawed samples. The pair wise comparison showed a significantly higher recovery of spiked BT-474 cells from freshly processed samples than from cryopreserved and thawed samples (57% vs 21%). Viability tests suggested that this outcome might be due to a greater susceptibility of BT-474 cells than buffy coat cells to the used cryopreservation and thawing technique. Altogether our findings show that the performance of the immunomagnetic enrichment assay on fresh samples is satisfactory with a recovery rate of almost 60% and a sensitivity of 10(-7). However, performance of the assay on cryopreserved and thawed cells needs to be improved.