bluuebunny/crossref_metadata_2025_split huggingface dataset:
Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained On Docked Poses
Authors: Boyles Fergus , Deane Charlotte M , Morris Garrett 
Published: January 2021

Machine learning scoring functions for protein-ligand binding affinity have been found to consistently outperform classical scoring functions when trained and tested on crystal structures of bound protein-ligand complexes. However, it is less clear how these methods perform when applied to docked poses of complexes.We explore how the use of docked, rather than crystallographic, poses for both training and testing affects the performance of machine learning scoring functions. Using the PDBbind Core Sets as benchmarks, we show that the performance of a structure-based machine learning scoring function trained and tested on docked poses is lower than that of the same scoring function trained and tested on crystallographic poses. We construct a hybrid scoring function by combining both structure-based and ligand-based features, and show that its ability to predict binding affinity using docked poses is comparable to that of purely structure-based scoring functions trained and tested on crystal poses. Despite strong performance on docked poses of the PDBbind Core Sets, we find that our hybrid scoring function fails to generalise to anew data set, demonstrating the need for improved scoring functions and additional validation benchmarks. Code and data to reproduce our results are available from https://github.com/oxpig/learning-from-docked-poses.
Turismo em Nova Petrópolis: perspectivas de desenvolvimento do turismo cultural
Authors: Santos Rodrigo José dos , Heredia Vania Beatriz Merlotti 
Published: January 2021

O presente estudo traz para a discussão possibilidades de desenvolvimento do turismo cultural no município de Nova Petrópolis. Tem por objetivo reunir e sistematizar informações sobre a vinda dos imigrantes alemães para o Rio Grande do Sul em 1824, e por consequência, a chegada em Nova Petrópolis no ano de 1858. A proposta do estudo inclui a criação do cooperativismo, numa das comunidades de Nova Petrópolis, Linha Imperial, considerada o berço do cooperativismo na América Latina. A comunidade da Linha Imperial possui uma forte cultura na área do cooperativismo e seu estudo permite entender ações que foram desencadeadas a partir da chegada dos alemães nessa localidade que hoje integra a região turística das Hortênsias. O estudo foi dividido em três momentos sendo o primeiro uma contextualização da chegada dos imigrantes na região; o segundo o desenvolvimento do cooperativismo em Nova Petrópolis e o terceiro a vinculação da comunidade e o turismo cultural. A pesquisa realizada é de natureza bibliográfica e contou com documentos e resultados de outras pesquisas acerca da imigração alemã no Rio Grande do Sul. Uma das primeiras comunidades fundadas foi Linha Imperial, onde se verifica a organização da localidade por meio de princípios e valores culturais trazidos da terra de origem. Constata-se que o estudo dessa comunidade pode contribuir para o desenvolvimento do turismo no município de Nova Petrópolis.
Introduction: L'écriture de soi au croisement de l'éthique, du politique et du poétique
Authors: Galichon Isabelle 
Published: January 2021

La notion d’éthopoiétique apparaît à plusieurs reprises sous la plume de Michel Foucault, dans ses derniers travaux : orthographiée avec ou sans i, éthopo(i)étique, mais encore sous la forme « étho-poétique » dans L’Usage des plaisirs. On la trouve pour la première fois en 1983 dans un article consacré à « L’écriture de soi », paru dans la revue Corps Écrit – mais elle a été introduite dès 1982 dans le cours au Collège de France consacré à L’Herméneutique du sujet.
Perils of Fundamentalism in France
Authors: Cowden Stephen , Fourest Caroline 
Published: January 2021

Caroline Fourest is a French feminist writer, film director, journalist, radio presenter at France Culture, and co-founder and editor of the magazine ProChoix. She has been a columnist with Charlie Hebdo and Le Monde and has written several influential essays on the political and religious right in France and the US. She is the author of a biography of the far-right politician Marine Le Pen and of a number of books including In Praise of Blasphemy: Why Charlie Hebdo is Not ‘Islamophobic’, Brother Tariq: the Doublespeak of Tariq Ramadan and most recently The Offended Generation.
Stephen Cowden teaches in the School of Social Professions at the London Metropolitan University. He is an editorial collective member of Feminist Dissent.
postmodern Post-feminism without Women
Authors: Assiter Alison , Binetti María J. 
Published: January 2021

This article aims at showing the way in which the discursive constructivism and ethical relativism characteristic of postmodern feminism and post-feminism leads to a neo-liberal and conservative political agenda that threatens women’s sex-based rights. The article will especially focus on the thought of Paul-B Preciado as a post-feminist activist. It draws a comparison also with the work of Saba Mahmood. In such a context, we will point out the necessity of a neo-material and realist framework able to account for the ontological reality of women, and their irreducibility to social hetero-norms.
Keywords: Constructivism, nominalism, embodiment, sexual difference, human rights, materialism.
How different are women and men?
Authors: Saini Angela 
Published: January 2021

Books Reviewed:
The Better Half: On the Genetic Superiority of Women by Sharon Moalem (Penguin, April 2020)
The Gendered Brain: The New Neuroscience that Shatters the Myth of the Female Brain by Gina Rippon (The Bodley Head, February 2019)
Gender Mosaic: Beyond the Myth of the Male and Female Brain by Daphna Joel and Luba Vikhanski (Hachette, September 2019)
Sexing the Body: Gender Politics and the Construction of Sexuality by Anne Fausto-Sterling (Basic Books, June 2020)
TEMPERATURE AND NITRATE CONCENTRATION EFFECT ON THE ABUNDANCE AND GROWTH RATE OF MELOSIRA SP.
Authors: Rukminasari Nita , Andy Omar Sharifuddin , Lukman Muhammad 
Published: January 2021

Microalgae are one of the natural resources that have high potential as a source of biofuels, one of them is the marine microalgae Melosira sp.. The objective of this study was to determine the effect of increasing temperature and nitrate concentration on the abundance, growth rate, biomass, organic C-content and free fatty acids of Melosira sp.. A Completely Randomized Design was used for this experiment with four temperature treatments and three nitrate concentrations treatmentsÂ in microalgae test planting media. The test microalgae were cultured for 21 days, while the abundance of Melosira sp..was carried out every 3rd day, while for other parameters measurements were made at the end of the experiment. The results showed that the increasing in temperature and nitrate concentration in culture media significantly affected the abundance of Melosira sp.. Meanwhile, the results of statistical analysis showed that the increase in temperature and concentration of culture media did not have a significant effect on biomass except at 30Â°C treatment, the dry weight of Melosira sp. was only significantly different between the nitrate concentrations of 0.0 g/L and 0.4 g/L. For the content of C-organic and free fatty acids generally showed a significant difference between treating temperature and nitrate concentration in the culture media.
Best practices in serving college student Veterans: A scoping review
Authors: Klaw Elena , Young Brianna , Li KaChun , O’Rourke Patrick 
Published: January 2021

LAY SUMMARY Student Veterans are enrolling in college at increasingly rapid rates after separating from the military. Colleges and universities are urged to evaluate and redesign programs targeted to specifically support Veterans. The aim of the current review is to provide a comprehensive examination of the existing literature regarding best practices in serving U.S. student Veterans in higher education. Concrete suggestions related to the implementation, assessment, and institutionalization of best practices are provided.
HARMONISASI PROSES PEMBELAJARAN MELALUI TEORI KEPEMIMPINAN BERBASIS ASAH ASIH ASUH
Authors: Rachmawati Aulia Lailatul , Ratnawati Shinta 
Published: January 2021

Tingkat kualitas diri mahasiswa pada pembelajaran tidak terlepas dari pemilihan metode pembelajaran yang tepat. Sistem pembelajaran Student Center Learning merupakan sistem pembelajaran yang memusatkan pembelajaran pada mahasiswa. Metode window shopping ini merupakan salah satu metode pembelajaran yang masuk dalam pembelajaran Student Center Learning. Proses dimana dosen dan mahasiswa belajar bersama dalam mengoptimalkan pengetahuan yang ter up-date. Penelitian ini bertujuan untuk mengetahui dampak dari penerapan metode pembelajaran baru terhadap keberhasilan hasil belajar dan tingkat hubungan dosen dengan mahasiswa dengan memasukan proses pengimplementasian metode pembelajaran window shopping teori kepemimpinan berbasis asah, asih, dan asuh. Metode penelitian ini merupakan studi deskriptif dengan menggunakan pendekatan kualitatif. Teknik dalam pengumpulan data melalui (1) indepth interview (2) observasi. Analisis data menggunakan teori pembelajaran konstruksivisme. Pemilihan teori ini didasarkan atas obyek penelitian yaitu mahasiswa Program Studi Manajemen pada kelas Kewirausahaan 1 dan 2. Dari hasil dari penelitian ini menunjukkan bahwa melalui sinkronisasi antara metode, pembelajaran, dan harmonisasi menunjukkan hasil (1) pembelajaran berpusat pada mahasiswa mengoptimalkan pencapaian CPL; (2) Tercapainya harmonisasi antara dosen dan mahasiswa dalam pembelajaran.
The Main Nile Valley at the End of the Pleistocene (28–15 ka): Dispersal Corridor or Environmental Refugium?
Authors: Leplongeon Alice 
Published: January 2021

Under present environmental conditions, the Nile Valley acts as a ‘natural’ route between Africa and Eurasia, and is often considered as a corridor for dispersals out of and back into Africa in the past. This review aims to address the role played by the Nile Valley at the end of the Pleistocene (28-15 ka) in the context of post-‘Out of Africa’ modern human dispersals. Genetic studies based on both modern and ancient DNA suggest pre-Holocene dispersals ‘back into Africa’ as well as genetic interactions between modern humans across Africa and the Levant. During the Last Glacial, the lowering, or even complete desiccation of major eastern African lakes, including Lake Victoria, reduced the White Nile to a highly seasonal river, depriving the main Nile from its most important tributary in the dry season. This had major consequences, the specifics of which are still debated, on the behavior of the main Nile and the landscape around the Nile Delta. Despite this shift to more arid conditions, there is abundant evidence for human occupation in the main Nile Valley. Combining available geological, palaeoenvironmental, anthropological, genetic and archaeological data, this article discusses problems encountered when trying to reconcile results from different fields, the current limitations of the available data and research perspectives to further address the role of the Nile Valley as a dispersal corridor or an environmental refugium at the end of the Pleistocene.
Carbon-Interlayer SnO2–Sb2O3 Composite Core–Shell Structure Anodes for Sodium-Ion Batteries
Authors: Zhang Guoju , Qu Yuanduo , Zhao Fanghui , Dang Rongxin , Yang Jie , Wang Liying , Zhang Yuanpeng , Duan Lianfeng 
Published: January 2021

Although great efforts have been dedicated to improving electrochemical property of oxides anode material for sodium-ion batteries, the cycling life and rate capability of oxides anode materials are still far from its theoretical value. Herein, novel uniform SnO2@C@Sb2O3 submicrospheres with multilayer core–shell hollow structure have been synthesized as anode of sodium-ion batteries. The multilayer core–shell structure SnO2@C@Sb2O3 composite delivers a reversible capacity of 269 mAh g−1 at higher current density (1,500 mA g−1) after 100 cycles and exhibited excellent rate performance. The conductivity of the anode composite is promoted by the uniformly carbon dispersion through the whole submicrospheres. The dramatic volume change of electrode material could be mitigated by the porous core–shell structure of Sb2O3 and SnO2 during charge–discharge process. The enhanced specific capacity and rate performance are mainly ascribed to the integrity of structure and synergy effect between different metal oxides.
C-Terminal-Pro-Endothelin-1 Adds Incremental Prognostic Value for Risk Stratification After Ischemic Stroke
Authors: Westphal Laura P. , Schweizer Juliane , Fluri Felix , De Marchis Gian Marco , Christ-Crain Mirjam , Luft Andreas R. , Katan Mira 
Published: January 2021

Background and Aims: Endothelins have shown to play a role in the pathophysiology of ischemic stroke. We aimed at evaluating the incremental prognostic value of C-terminal-pro-endothelin-1 (CT-pro-ET-1) in a well-described cohort of acute stroke patients.Methods: We performed serial measurements of CT-pro-ET-1 in 361 consecutively enrolled ischemic stroke patients and assessed functional outcome and mortality after 90 days. As we found peak levels of CT-pro-ET-1 and the most prominent association with mortality on day 1 after admission (n = 312), we focused on this time point for further outcome analyses. We calculated logistic regression and cox proportional hazards models to estimate the association of CT-pro-ET-1 with our outcome measures after adjusting for demographic and clinical risk factors. To evaluate the incremental value of CT-pro-ET-1, we calculated the area under the receiver operating characteristics (AUC) curve and the continuous net reclassification index (cNRI) comparing the model with and without the biomarker CT-pro-ET-1.Results: In the univariate analysis CT-pro-ET-1 with a peak on day 1 after admission was associated with unfavorable outcome with an OR of 1.32 (95% CI, 1.16–1.51, p &lt; 0.001) and with mortality with a HR of 1.45 (95% CI, 1.29–1.63, p &lt; 0.001). After adjusting, CT-pro-ET-1 remained an independent predictor of mortality with an adjusted HR of 1.50 (95% CI, 1.29–1.74, p &lt; 0.001), but not for functional outcome. Adding CT-pro-ET-1 to the cox-regression model for mortality, the discriminatory accuracy improved from 0.89 (95% CI, 0.84–0.94) to 0.92 (95% CI, 0.88–0.96) p &lt; 0.001, and the cNRI was 0.72 (95% CI, 0.17–1.13).Conclusion: CT-pro-ET-1 with a peak level on day 1 was an independent predictor of mortality adding incremental prognostic value beyond traditional risk factors.
Computed Tomography Radiomics for Predicting Pathological Grade of Renal Cell Carcinoma
Authors: Yi Xiaoping , Xiao Qiao , Zeng Feiyue , Yin Hongling , Li Zan , Qian Cheng , Wang Cikui , Lei Guangwu , Xu Qingsong , Li Chuanquan , Li Minghao , Gong Guanghui , Zee Chishing , Guan Xiao , Liu Longfei , Chen Bihong T. 
Published: January 2021

BackgroundClear cell renal cell carcinoma (ccRCC) is the most common renal cancer and it has the worst prognosis among all renal cancers. However, traditional radiological characteristics on computed tomography (CT) scans of ccRCC have been insufficient to predict the pathological grade of ccRCC before surgery.MethodsPatients with ccRCC were retrospectively enrolled into this study and were separated into two groups according to the World Health Organization (WHO)/International Society of Urological Pathology (ISUP) grading system, i.e., low-grade (Grade I and II) group and high-grade (Grade III and IV) group. Traditional CT radiological characteristics such as tumor size, pre- and post-enhancing CT densities were assessed. In addition, radiomic texture analysis based on the CT imaging of the ccRCC were also performed. A CT-based machine learning method combining the traditional radiological characteristics and radiomic features was used in the predictive modeling for differentiating the low-grade from the high-grade ccRCC. Model performance was evaluated with the receiver operating characteristic curve (ROC) analysis.ResultsA total of 264 patients with pathologically confirmed ccRCC were included in this study. In this cohort, 206 patients had the low-grade tumors and 58 had the high-grade tumors. The model built with traditional radiological characteristics achieved an area under the curve (AUC) of 0.9175 (95% CI: 0.8765–0.9585) and 0.8088 (95% CI: 0.7064–0.9113) in differentiating the low-grade from the high-grade ccRCC for the training cohort and the validation cohort respectively. The model built with the radiomic textural features yielded an AUC value of 0.8170 (95% CI: 0.7353–0.8987) and 0.8017 (95% CI: 0.6878–0.9157) for the training cohort and the validation cohort, respectively. The combined model integrating both the traditional radiological characteristics and the radiomic textural features achieved the highest efficacy, with an AUC of 0.9235 (95% CI: 0.8646–0.9824) and an AUC of 0.9099 (95% CI: 0.8324–0.9873) for the training cohort and validation cohort, respectively.ConclusionWe developed a machine learning radiomic model achieving a satisfying performance in differentiating the low-grade from the high-grade ccRCC. Our study presented a potentially useful non-invasive imaging-focused method to predict the pathological grade of renal cancers prior to surgery.
Mental Health Consequences for Healthcare Workers During the COVID-19 Pandemic: A Scoping Review to Draw Lessons for LMICs
Authors: Moitra Modhurima , Rahman Muhammad , Collins Pamela Y. , Gohar Fatima , Weaver Marcia , Kinuthia John , Rössler Wulf , Petersen Stefan , Unutzer Jurgen , Saxena Shekhar , Huang Keng Yen , Lai Joanna , Kumar Manasi 
Published: January 2021

Background: The COVID-19 pandemic has had a significant impact on the mental health of healthcare workers (HCWs) particularly in low and middle-income countries (LMICs). This scoping review provides a summary of current evidence on the mental health consequences of COVID on HCWs.Methods: A scoping review was conducted searching PubMed and Embase for articles relevant to mental health conditions among HCWs during COVID-19. Relevant articles were screened and extracted to summarize key outcomes and findings.Results: A total of fifty-one studies were included in this review. Depressive symptoms, anxiety symptoms, psychological trauma, insomnia and sleep quality, workplace burnout and fatigue, and distress were the main outcomes reviewed. Most studies found a high number of symptoms endorsed for depression, anxiety, and other conditions. We found differences in symptoms by sex, age, and HCW role, with female, younger-aged, frontline workers, and non-physician workers being affected more than other subgroups.Conclusion: This review highlights the existing burden of mental health conditions reported by HCWs during COVID-19. It also demonstrates emerging disparities among affected HCW subgroups. This scoping review emphasizes the importance of generating high quality evidence and developing informed interventions for HCW mental health with a focus on LMICs.
Socioeconomically Disadvantaged Neighborhoods Face Increased Persistence of SARS-CoV-2 Clusters
Authors: De Ridder David , Sandoval José , Vuilleumier Nicolas , Azman Andrew S. , Stringhini Silvia , Kaiser Laurent , Joost Stéphane , Guessous Idris 
Published: January 2021

Objective: To investigate the association between socioeconomic deprivation and the persistence of SARS-CoV-2 clusters.Methods: We analyzed 3,355 SARS-CoV-2 positive test results in the state of Geneva (Switzerland) from February 26 to April 30, 2020. We used a spatiotemporal cluster detection algorithm to monitor SARS-CoV-2 transmission dynamics and defined spatial cluster persistence as the time in days from emergence to disappearance. Using spatial cluster persistence measured outcome and a deprivation index based on neighborhood-level census socioeconomic data, stratified survival functions were estimated using the Kaplan-Meier estimator. Population density adjusted Cox proportional hazards (PH) regression models were then used to examine the association between neighborhood socioeconomic deprivation and persistence of SARS-CoV-2 clusters.Results: SARS-CoV-2 clusters persisted significantly longer in socioeconomically disadvantaged neighborhoods. In the Cox PH model, the standardized deprivation index was associated with an increased spatial cluster persistence (hazard ratio [HR], 1.43 [95% CI, 1.28–1.59]). The adjusted tercile-specific deprivation index HR was 1.82 [95% CI, 1.56–2.17].Conclusions: The increased risk of infection of disadvantaged individuals may also be due to the persistence of community transmission. These findings further highlight the need for interventions mitigating inequalities in the risk of SARS-CoV-2 infection and thus, of serious illness and mortality.
Development of a Computer-Aided Design and Finite Element Analysis Combined Method for Affordable Spine Surgical Navigation With 3D-Printed Customized Template
Authors: Eltes Peter Endre , Bartos Marton , Hajnal Benjamin , Pokorni Agoston Jakab , Kiss Laszlo , Lacroix Damien , Varga Peter Pal , Lazary Aron 
Published: January 2021

Introduction: Revision surgery of a previous lumbosacral non-union is highly challenging, especially in case of complications, such as a broken screw at the first sacral level (S1). Here, we propose the implementation of a new method based on the CT scan of a clinical case using 3D reconstruction, combined with finite element analysis (FEA), computer-assisted design (CAD), and 3D-printing technology to provide accurate surgical navigation to aid the surgeon in performing the optimal surgical technique by inserting a pedicle screw at the S1 level.Materials and Methods: A step-by-step approach was developed and performed as follows: (1) Quantitative CT based patient-specific FE model of the sacrum was created. (2) The CAD model of the pedicle screw was inserted into the sacrum model in a bicortical convergent and a monocortical divergent position, by overcoming the geometrical difficulty caused by the broken screw. (3) Static FEAs (Abaqus, Dassault Systemes) were performed using 500 N tensile load applied to the screw head. (4) A template with two screw guiding structures for the sacrum was designed and manufactured using CAD design and 3D-printing technologies, and investment casting. (5) The proposed surgical technique was performed on the patient-specific physical model created with the FDM printing technology. The patient-specific model was CT scanned and a comparison with the virtual plan was performed to evaluate the template accuracyResults: FEA results proved that the modified bicortical convergent insertion is stiffer (6,617.23 N/mm) compared to monocortical divergent placement (2,989.07 N/mm). The final template was created via investment casting from cobalt-chrome. The template design concept was shown to be accurate (grade A, Gertzbein-Robbins scale) based on the comparison of the simulated surgery using the patient-specific physical model and the 3D virtual surgical plan.Conclusion: Compared to the conventional surgical navigation techniques, the presented method allows the consideration of the patient-specific biomechanical parameters; is more affordable, and the intraoperative X-ray exposure can be reduced. This new patient- and condition-specific approach may be widely used in revision spine surgeries or in challenging primary cases after its further clinical validation.