Miracle-dz/UniFAR-FTUs huggingface dataset:
Computer-Aided Drug Design

Once, a US General summarized his philosophy on warfare in just four concise statements, “The art of war is simple enough. Find out where your enemy is. Get at him as soon as you can. Strike him as hard as you can, and keep moving. ” Although these overarching statements formed the basic premise of modern war strategies, the same concepts have been applied in designing new drugs aimed at combating a broad range of diseases. In this context, rational drug design or computeraided drug design [1-3] has been established as an exciting research approach aimed at developing safer and more efficacious drugs using modern computational tools which are fast and inexpensive compared to traditional methods. The ultimate goal of this research is to design small organic compounds that bind to a specific molecular target, and result in the inhibition (or less frequently, activation) of a particular protein or enzyme involved in a given cellular pathway, i.e. a blockage of a specific protein-protein interaction. The development of such drugs has been recognized early on by the pharmaceutical industry as a principal foundation that provides it with the necessary return on investment to fuel further research and development [4] leading to a discovery and development cycle.
Cytomegalovirus infection and progressive differentiation of effector-memory T cells

Primary cytomegalovirus (CMV) infection leads to strong innate and adaptive immune responses against the virus, which prevents serious disease. However, CMV infection can cause serious morbidity and mortality in individuals who are immunocompromised. The adaptive immune response to CMV is characterized by large populations of effector-memory (EM) T cells that are maintained lifelong, a process termed memory inflation. Recent findings indicate that infection with CMV leads to continuous differentiation of CMV-specific EM-like T cells and that high-dose infection accelerates this progression. Whether measures that counteract CMV infection, such as anti-viral drugs, targeting of latently infected cells, adoptive transfer of CMV-specific T cells, and vaccination strategies, are able to impact the progressive differentiation of CMV-specific EM-like cells is discussed.
Global research priorities to mitigate plastic pollution impacts on marine wildlife

Marine wildlife faces a growing number of threats across the globe, and the survival of many species and populations will be dependent on conservation action. One threat in particu- lar that has emerged over the last 4 decades is the pollution of oceanic and coastal habitats with plastic debris. The increased occurrence of plastics in marine ecosystems mirrors the increased prevalence of plastics in society, and reflects the high durability and persistence of plastics in the environment. In an effort to guide future research and assist mitigation approaches to marine con- servation, we have generated a list of 16 priority research questions based on the expert opinions of 26 researchers from around the world, whose research expertise spans several disciplines, and covers each of the world's oceans and the taxa most at risk from plastic pollution. This paper high- lights a growing concern related to threats posed to marine wildlife from microplastics and frag- mented debris, the need for data at scales relevant to management, and the urgent need to develop interdisciplinary research and management partnerships to limit the release of plastics into the environment and curb the future impacts of plastic pollution.
Quantum ergodicity for the Anderson model on regular graphs

We prove a result of delocalization for the Anderson model on the regular tree (Bethe lattice). When the disorder is weak, it is known that large parts of the spectrum are a.s. purely absolutely continuous, and that the dynamical transport is ballistic. In this work, we prove that in such AC regime, the eigenfunctions are also delocalized in space, in the sense that if we consider a sequence of regular graphs converging to the regular tree, then the eigenfunctions become asymptotically uniformly distributed. The precise result is a quantum ergodicity theorem.
Capuchin monkey biogeography: understanding Sapajus Pleistocene range expansion and the current sympatry between Cebus and Sapajus

Our aim was to examine gracile capuchin (Cebus) and robust capuchin monkey (Sapajus) diversification, with a focus on recent Sapajus expansion within Amazonia. We wanted to reconstruct the biogeographical history of the clade using statistical methods that model lineages’ occupation of different regions over time in order to evaluate recently proposed ‘Out of Amazonia’ and ‘Reinvasion of Amazonia’ hypotheses as alternative explanations for the extensive geographical overlap between reciprocally monophyletic gracile (Cebus) and robust (Sapajus) capuchin monkeys.
East Asian Species in Alien Flora of European Russia

A B S T R A C T Plants of East Asian origin are the important group of species introduced to many regions of the world; three of them are among 100 most widespread in­ va sive species in Europe. Due to geographical location and vast territory of the re gion of European Russia, which borders with Asia and spreads across a wide range of climatic and vegetation zones, it can be considered as a transitional area be tween Europe and Asia. One hundred and six East Asian species comprise the second biggest group in the species pool of aliens to whole territory of European Rus sia and make about 5.8 % of the total number of its alien plants. Invasive sta tus of species was assessed for different regions; it may vary depending of geo g ra phical location of the species pool. Summarizing the data by regions ali­ en flora of East Asian origin includes about 60 % of casual species, 30 % of na tu ra lized and 10 % are considered to be the invasive species. The majority of East Asian species (79) were brought to European Russia deliberately; the his­ to ry of their introduction was similar to that in other European countries. For ty two species of them have naturalized. Twenty three species of East Asian ori­ gin were accidentally introduced, and five of them have naturalized. Some East Asian species appeared in European Russia by chance may be transported ac ross the territory of European Russia further to Europe. Of eleven East Asian in va­ sive species in European Russia Rosa rugosa occupied preferably the coast of the Bal tic Sea, Reynoutria japonica, R. sachalinensis, Sorbaria sorbifolia and Hordeum jubatum – the Central regions of Russia, Ulmus pumila, Zizania latifolia, Cotoneaster lucidum, He me ro callis fulva, Morus alba and Monochoria korsakowii – the southern areas of European Russia.
Nanoscale Science and Technology: Building a Big Future from Small Things

The following article is an edited transcript based on the MRS Medalist presentation given by Charles M. Lieber of Harvard University on December 4, 2002, at the Materials Research Society Fall Meeting in Boston. Lieber received the Medal “for controlled synthesis of nanowire and nanotube materials. ” This presentation begins with an introduction to the bottom-up paradigm of nanoscience and nanotechnology. The key concepts of this paradigm are explored through studies outlining progress toward meeting the challenge of nanocomputing through the assembly of functional nanowire elements. The richness of the bottom-up paradigm and nanowire building blocks is then illustrated with the development of chemical and biological nanosensors. Finally, the uniqueness of nanowires is exemplified through discussion of the assembly of nanophotonic devices, including the demonstration of multicolor and addressable nanoscale light-emitting diodes, nanowire injection lasers, and assembled arrays of these nanophotonic sources. Challenges and goals for realizing nanotechnologies in the future are discussed in the conclusion.
Current perspectives on cardioembolic ischemic stroke in very old patients

License. The full terms of the License are available at http://creativecommons.org/licenses/by-nc/3.0/. Non-commercial uses of the work are permitted without any further permission from Dove Medical Press Limited, provided the work is properly attributed. Permissions beyond the scope of the License are administered by Dove Medical Press Limited. Information on how to request permission may be found at: http://www.dovepress. com/permissions.php Research Reports in Clinical Cardiology 2015:6 1–10 Research Reports in Clinical Cardiology Dovepress
Graph-Based Controller Synthesis for Safety-Constrained, Resilient Systems

Resilience to damage, component degradation, and adversarial action is a critical consideration in design of autonomous systems. In addition to designing strategies that seek to prevent such negative events, it is vital that an autonomous system remains able to achieve its control objective even if the system partially loses control authority. While loss of authority limits the system's control capabilities, it may be possible to use the remaining authority in such a way that the system's control objectives remain achievable. In this paper, we consider the problem of optimal design for an autonomous system with discrete-time linear dynamics where the available control actions depend on adversarial input produced as a result of loss of authority. The central question is how to partition the set of control inputs that the system can apply in such a way that the system state remains within a safe set regardless of an adversarial input limiting the available control inputs to a single partition elements. We interpret such a problem first as a variant of a safety game, and then as a problem of existence of an appropriate edge labeling on a graph. We obtain conditions for existence and a computationally efficient algorithm for determining a system design and a control policy that preserve system safety. We illustrate our results on two examples: a damaged autonomous vehicle and a method of communication over a channel that ensures a minimal running digital sum.
Cigarette Smoking Prevalence and Awareness amongst Undergraduate Students of the University of Nigeria, Nsukka

Context: Smoking incidence among youths in Nigeria is on the rise and cigarette smoking is considered one of the largest causes of preventable morbidity and mortality globally. Aims: To assess the prevalence and awareness of cigarette smoking amongst undergraduates of the University of Nigeria, Nsukka. Settings and Design: This study was a cross-sectional and descriptive survey conducted among undergraduates in the University of Nigeria, Nsukka from June to August 2016. Methods and Material: Data were collected by the 44-item structured, self-administered questionnaire. Statistical Analysis used: The data were analyzed using the Statistical Package for Social Sciences (SPSS) for Windows version 16.0 (SPSS Inc, Version 16.0, Chicago, USA). P-value ≤ 0.05 was considered statistically significant. Results: A total of 570 questionnaires were completed and returned. Only 49.6% of the students had adequate knowledge of cigarette smoking and its health implications while the same percentage had good attitudes (i.e., attitudes that could make them never smoke or quit smoking) towards cigarette smoking. Of the 180 students who claimed to have smoked cigarette before, one-fifth smoked on a daily basis. More students who resided off-campus had smoked cigarette before (36.5%) compared to those in hostels (25.7%) (χ2=7.594; df=1; P=0.006). Conclusion: Approximately half of the respondents had good knowledge about cigarette smoking and its health implications. More than a fifth of the respondents had smoked cigarette before. Students who resided off campus exhibited a greater tendency to start smoking compared to those who resided in hostels on campus. Peer pressure and close associations could influence cigarette smoking habits.
Expert system verification concerns in an operations environment

The Space Shuttle community is currently developing a number of knowledge-based tools, primarily expert systems, to support Space Shuttle operations. It is proposed that anticipating and responding to the requirements of the operations environment will contribute to a rapid and smooth transition of expert systems from development to operations, and that the requirements for verification are critical to this transition. The paper identifies the requirements of expert systems to be used for flight planning and support and compares them to those of existing procedural software used for flight planning and support. It then explores software engineering concepts and methodology that can be used to satisfy these requirements, to aid the transition from development to operations and to support the operations environment during the lifetime of expert systems. Many of these are similar to those used for procedural hardware.
Our method of extracting information from the data builds on

We dissect the comovement patterns of the macroeconomic data, identify a single shock that accounts for the bulk of the business-cycle volatility in the key quantities, and use its empirical properties to appraise parsimonious models of the business cycle. Through this lens, the data appears to be at odds with theories that attribute a major role to fluctuations in TFP, to news about future productivity or the long run, and to demand shocks of the New Keynesian type. Instead, it appears to favor theories that allow for demand-driven fluctuations without nominal rigidities and Philips curves. Our findings can also be of use in the evaluation of larger models that employ a multitude of shocks. In this context, we argue that leading DSGE models seem to lack the propagation mechanism observed in the data. ∗This paper subsumes our prior empirical work on this subject, different incarnations of which appeared in Section 2 of Angeletos, Collard, and Dellas (2015), the 2013 Schumpeter Lecture at the NASM of the Econometric Society, the 2013 Hydra Workshop in Taormina, the 2015 Bank of Portugal Conference, and the 2016 Meeting of the European Economic Association. We thank Patrick Feve, Lars Hansen, Franck Portier, Juan Rubio-Ramirez and various seminar participants for useful comments. Angeletos acknowledges the financial support of the National Science Foundation (Award #1757198). “One is led by the facts to conclude that, with respect to the qualitative behavior of comovements among series, business cycles are all alike. To theoretically inclined economists, this conclusion should be attractive and challenging, for it suggests the possibility of a unified explanation of business cycles. ” Lucas (1977)
Artemisinin: An Evolving Antimalarial-Part One

This review was conceived with the aim of presenting a compact, yet engaging account of the evolution of artemisinin from its humble and ancient origins as an herbal remedy to a modern chemotherapeutic agent, highlighting its unique pharmacological and toxicological profile and the central position it occupies at present in the battle against malaria. Artemisinin is a sesquiterpene lactone end operoxide with a long and enchanting history. The Chinese had been using concoctions of Artemisia for the treatment of various febrile ailments for close to two millennia. The impetus for its extraction in 1972 from Artemisia annua came from the battlefields of the Vietnamese war of 1965 to 1973 and the political milieu of the Cultural Revolution that encouraged an inward-looking disposition. Owing to solubility problems with the parent compound, artemisinin other semi-synthetic derivatives are now available and include artesunate, artemether, dihydroartemisinin and arteether. Parasiticidal action resides in the endoperoxide moiety which is also primarily responsible for the toxicity of the artemisinin compounds. As a class, they are the most rapidly acting antimalarial chemotherapeutic agents ever in use, reducing initial parasite burden by a factor of 10 4 per cycle of schizogony. Despite this, high rate of recrudescence occur with monotherapies which necessitates their use in combination with longer acting agents- ACTs. The basis of this high recrudescence is not unrelated to short plasma half-lives, dormancy phenomenon and autoinduction of the metabolizing enzymes. Though safe in humans at recommended dosages, animal studies have continually revealed disturbing side effects most notably, neurotoxicity and, reproductive toxicity manifesting in the twin phenomenon of embryolethality and fetal dysmorphogenesis. In the light of the cautionary tale of thalidomide tragedy, it may not be wise to totally ignore these findings in experimental animals.
Applying modeling Results in designing a global tropospheric experiment

A set of field experiments and advanced modeling studies which provide a strategy for a program of global tropospheric experiments was identified. An expanded effort to develop space applications for trospheric air quality monitoring and studies was recommended. The tropospheric ozone, carbon, nitrogen, and sulfur cycles are addressed. Stratospheric-tropospheric exchange is discussed. Fast photochemical processes in the free troposphere are considered.
Aneurysms Risk of Rupture of Small Anterior Communicating Artery Aneurysms Is Similar to Print

Vivas, Miriam C.J.M. Sturkenboom, Jessica Wright, Christoph M. Friedrich, Alejandro Frangi, Waterworth, Jimison Iavindrasana, Juan Macho, Vitor Mendes Pereira, Peter Bukovics, Elio Philippe Bijlenga, Christian Ebeling, Max Jaegersberg, Paul Summers, Alister Rogers, Alan Posterior Circulation Aneurysms Risk of Rupture of Small Anterior Communicating Artery Aneurysms Is Similar to Print ISSN: 0039-2499. Online ISSN: 1524-4628 Copyright © 2013 American Heart Association, Inc. All rights reserved. is published by the American Heart Association, 7272 Greenville Avenue, Dallas, TX 75231 Stroke doi: 10.1161/STROKEAHA.113. 001667 2013;44:3018-3026; originally published online July 30, 2013; Stroke. http://stroke.ahajournals. org/content/44/11/3018 World Wide Web at: The online version of this article, along with updated information and services, is located on the http://stroke.ahajournals. org/content/suppl/2013/07/30/STROKEAHA.113. 001667.DC1. html Data Supplement (unedited) at:
Raman and infrared study of pressure-induced structural changes in

Raman and midinfrared spectra of MgSiOr, CaMgSirOu, and CaSiO, glasses have been measured to 45 GPa in a diamond cell. The principal pressure-induced changes in spectra observed are reversible, so that charucteization of the high-density states of these materials requires in situ measurements at high pressure. The dominant change in all three glasses is a marked shift of the midfrequency Raman bands (at 625-650 cm-') to higher frequencies with increasing pressure. This indicates that the main compression mechanism is associated with a decrease in the average intertetrahedral Si-O-Si angles, as found in other silicate materials. The intensities of high-frequency Raman and infrared bands at 900-1200 cm ' decrease with pressure relative to those oflower frequency bands. This is attributed to distortions of SiOo tetrahedra. However, the Raman and infrared spectra provide no direct evidence for a distinct t4rsi to t6rsi coordination change at room temperature in these glasses over the pressure range of this study. We present evidence that pressure-induced structural changes in glasses, including changes in cation coordination, can be affected by sample preparation and trace impurities.
From the American Heart Association Medication Errors in Acute Cardiovascular and Stroke Patients: A Scientific Statement

Critical Care, Perioperative, and Resuscitation, Council on Cardiovascular Nursing and Stroke Alexander, L. Kristin Newby, Hakan Ay, W. Brian Gibler, Council on Cardiopulmonary, Andrew D. Michaels, Sarah A. Spinler, Barbara Leeper, E. Magnus Ohman, Karen P. From the American Heart Association Medication Errors in Acute Cardiovascular and Stroke Patients: A Scientific Statement Print ISSN: 0009-7322. Online ISSN: 1524-4539 Copyright © 2010 American Heart Association, Inc. All rights reserved. is published by the American Heart Association, 7272 Greenville Avenue, Dallas, TX 75231 Circulation doi: 10.1161/CIR.0b013e3181d4b43e 2010;121:1664-1682; originally published online March 22, 2010; Circulation. http://circ.ahajournals. org/content/121/14/1664 World Wide Web at: The online version of this article, along with updated information and services, is located on the
Evaluating the Performance of Existing Full-Reference Quality Metrics on High Dynamic Range (HDR) Video Content

While there exists a wide variety of Low Dynamic Range (LDR) quality metrics, only a limited number of metrics are designed specifically for the High Dynamic Range (HDR) content. With the introduction of HDR video compression standardization effort by international standardization bodies, the need for an efficient video quality metric for HDR applications has become more pronounced. The objective of this study is to compare the performance of the existing full-reference LDR and HDR video quality metrics on HDR content and identify the most effective one for HDR applications. To this end, a new HDR video dataset is created, which consists of representative indoor and outdoor video sequences with different brightness, motion levels and different representing types of distortions. The quality of each distorted video in this dataset is evaluated both subjectively and objectively. The correlation between the subjective and objective results confirm that VIF quality metric outperforms all to ther tested metrics in the presence of the tested types of distortions.
Respiratory management of the preterm newborn in the delivery room

The survival of preterm infants has improved significantly during the past several decades. However, bronchopulmonary dysplasia remains a major morbidity. Preterm infants have both structural and functional lung immaturity compared with term infants, making them more likely to require resuscitation and more vulnerable to developing bronchopulmonary dysplasia. Interventions in the delivery room may affect short-term and long-term outcomes for preterm infants. The paradigm of resuscitation of preterm infants has been changing over the past decade from being interventional and invasive to be observational and gentle. Recent developments in respiratory management of preterm infants in the delivery room include oxygen supplementation and monitoring, alveolar recruitment techniques, noninvasive ventilation, new surfactant preparations, and new techniques for administration of surfactant. Providing nasal continuous positive airway pressure (CPAP) rather than intubating has been identified as a potentially better practice. Experimental studies have demonstrated that early application of nasal CPAP is protective for the preterm lung and brain compared with mechanical ventilation. Several observational studies have suggested that early nasal CPAP and avoiding intubation leads to reduced oxygen requirements, intubation rates, duration of mechanical ventilation, and may decrease rates of bronchopulmonary dysplasia. Multicenter, randomized controlled trials support the use of nasal CPAP as a primary strategy in preterm babies with respiratory distress syndrome. This approach leads to a reduction in the number of infants who are intubated and given surfactant without an impact on bronchopulmonary dysplasia rates. On the other hand, half of the infants enrolled in these studies failed nasal CPAP treatment. New techniques for surfactant administration include INSURE ("intubate give surfactant and extubate"), administration through a laryngeal mask airway, nebulized surfactant administration, and minimally invasive surfactant therapy.