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Complexity Sciences

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https://www.readbyqxmd.com/read/27914044/the-framework-of-computational-protein-design
#1
Ilan Samish
Computational protein design (CPD) has established itself as a leading field in basic and applied science with a strong coupling between the two. Proteins are computationally designed from the level of amino acids to the level of a functional protein complex. Design targets range from increased thermo- (or other) stability to specific requested reactions such as protein-protein binding, enzymatic reactions, or nanotechnology applications. The design scheme may encompass small regions of the proteins or the entire protein...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/27913691/exploring-the-chronic-illness-experience-of-rural-dwelling-latinos-of-mexican-origin
#2
Anissa Guzman
INTRODUCTION: Chronic illness is a complex and ever-growing phenomenon that is affecting millions of Americans every day, and it is disproportionately experienced by Latinos of Mexican origin. METHOD: In this quantitative study, the specific aims were to evaluate perceptions of chronic illness(es), locus of control (health and God), health status, and cultural orientation of rural-dwelling Latinos of Mexican origin in Colorado who have one or more chronic illnesses and to explore the relationships existing between these concepts...
December 2016: Hispanic Health Care International: the Official Journal of the National Association of Hispanic Nurses
https://www.readbyqxmd.com/read/27912748/challenges-to-access-and-provision-of-palliative-care-for-people-who-are-homeless-a-systematic-review-of-qualitative-research
#3
Briony F Hudson, Kate Flemming, Caroline Shulman, Bridget Candy
BACKGROUND: People who are homeless or vulnerably housed are a marginalized group who often experience high rates of morbidity and die young as a result of complex problems. Access to health care and support can be challenging, with access to palliative care even more so. This review presents a synthesis of published qualitative research exploring from the perspective of homeless people and those working to support them, current challenges to palliative care access and provision, in addition to suggestions for what may improve palliative care for this population...
December 3, 2016: BMC Palliative Care
https://www.readbyqxmd.com/read/27911043/a-cyclic-alkyl-amino-carbene-as-two-atom-%C3%AF-chromophore-leading-to-the-first-phosphorescent-linear-cu-i-complexes
#4
Markus Gernert, Ulrich Müller, Martin Haehnel, Jens Pflaum, Andreas Steffen
A series of linear and trigonal copper(I) complexes bearing a cyclic alkyl(amino)carbene (CAAC) ligand show surprising photophysical properties when compared to their corresponding N-heterocyclic carbene (NHC) complexes. Whereas the linear NHC complexes [CuX(NHC)] are nearly non-emissive, [CuX(CAAC)] (X = Cl, Br, I) and [Cu(CAAC)2]PF6 show very bright emission from their triplet excited states in the blue to green region displaying quantum yields of up to 65% in the solid state, although the π-acceptor comprises only the carbene C and N atoms with no other π conjugation...
December 2, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27909510/interactive-in-vitro-training-in-physics-of-radiofrequency-ablation-for-physicians-and-medical-engineering-students
#5
REVIEW
Haber T, Kleister G, Selman B, Härtig J, Melichercik J, Ismer B
Radiofrequency (RF) ablation requires a complex set of devices as well as profound electrophysiological experience and substantial knowledge of physical science basics. To establish RF ablation in-vitro teaching-system, six workstations were equipped with computer-controlled RF ablation generators. Universal connection boxes allow ablation-essays with catheters of different make and model. Special wetlabs were developed combining a basin containing isotonic saline solution with a thermostat and a pump to simulate blood flow...
June 2016: Journal of Atrial Fibrillation
https://www.readbyqxmd.com/read/27909019/collaborative-learning-in-higher-education-evoking-positive-interdependence
#6
Karin Scager, Johannes Boonstra, Ton Peeters, Jonne Vulperhorst, Fred Wiegant
Collaborative learning is a widely used instructional method, but the learning potential of this instructional method is often underused in practice. Therefore, the importance of various factors underlying effective collaborative learning should be determined. In the current study, five different life sciences undergraduate courses with successful collaborative-learning results were selected. This study focuses on factors that increased the effectiveness of collaboration in these courses, according to the students...
2016: CBE Life Sciences Education
https://www.readbyqxmd.com/read/27908978/potential-of-laboratory-execution-systems-less-to-simplify-the-application-of-business-process-management-systems-bpmss-in-laboratory-automation
#7
Sebastian Neubert, Bernd Göde, Xiangyu Gu, Norbert Stoll, Kerstin Thurow
Modern business process management (BPM) is increasingly interesting for laboratory automation. End-to-end workflow automation and improved top-level systems integration for information technology (IT) and automation systems are especially prominent objectives. With the ISO Standard Business Process Model and Notation (BPMN) 2.X, a system-independent and interdisciplinary accepted graphical process control notation is provided, allowing process analysis, while also being executable. The transfer of BPM solutions to structured laboratory automation places novel demands, for example, concerning the real-time-critical process and systems integration...
December 1, 2016: Journal of Laboratory Automation
https://www.readbyqxmd.com/read/27908255/solid-state-concerns-during-drug-discovery-and-development-thermodynamic-and-kinetic-aspects-of-crystal-polymorphism-and-the-special-cases-of-concomitant-polymorphs-co-crystals-and-glasses
#8
Daniel Petrus Otto, Melgardt Melvin De Villiers
During drug discovery and development the thermodynamics and kinetics of crystal form transitions must be studied and the fundamental properties of polymorphs must be identified. However, despite the accumulation of knowledge and experimental evidence that support the understanding of crystallization, its predictability still presents significant challenges. With the continuous development of new drug delivery technologies, even more complex situations arise such as difficult cases of polymorph selection, co-crystallization of different molecules, and manipulation of the crystallization environment by for example amorphous solids...
December 1, 2016: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/27908033/an-axisymmetric-time-domain-spectral-element-method-for-full-wave-simulations-application-to-ocean-acoustics
#9
Alexis Bottero, Paul Cristini, Dimitri Komatitsch, Mark Asch
The numerical simulation of acoustic waves in complex three-dimensional (3D) media is a key topic in many branches of science, from exploration geophysics to non-destructive testing and medical imaging. With the drastic increase in computing capabilities this field has dramatically grown in the last 20 years. However many 3D computations, especially at high frequency and/or long range, are still far beyond current reach and force researchers to resort to approximations, for example, by working in two dimensions (plane strain) or by using a paraxial approximation...
November 2016: Journal of the Acoustical Society of America
https://www.readbyqxmd.com/read/27906505/what-do-we-learn-about-development-from-baby-robots
#10
Pierre-Yves Oudeyer
Understanding infant development is one of the great scientific challenges of contemporary science. In addressing this challenge, robots have proven useful as they allow experimenters to model the developing brain and body and understand the processes by which new patterns emerge in sensorimotor, cognitive, and social domains. Robotics also complements traditional experimental methods in psychology and neuroscience, where only a few variables can be studied at the same time. Moreover, work with robots has enabled researchers to systematically explore the role of the body in shaping the development of skill...
December 1, 2016: Wiley Interdisciplinary Reviews. Cognitive Science
https://www.readbyqxmd.com/read/27899524/science-signaling-podcast-for-29-november-2016-pre-b-cell-receptor-signaling-in-leukemia
#11
Bridget S Wilson, Annalisa M VanHook
This Podcast features an interview with Bridget Wilson, author of a Research Article that appears in the 29 November 2016 issue of Science Signaling, about pre-B cell receptor (pre-BCR) signaling in B cell precursor acute lymphoblastic leukemia (BCP-ALL). Signaling through the pre-BCR, an immature form of the BCR, promotes the survival of B cell progenitors and has been implicated in the pathology of BCP-ALL. Erasmus et al found that pre-BCRs formed transient homomeric complexes that correlated with pro-survival signaling...
November 29, 2016: Science Signaling
https://www.readbyqxmd.com/read/27898761/transplant-resources-for-triticeae-genomic-data
#12
Manuel Spannagl, Michael Alaux, Matthias Lange, Daniel M Bolser, Kai C Bader, Thomas Letellier, Erik Kimmel, Raphael Flores, Cyril Pommier, Arnaud Kerhornou, Brandon Walts, Thomas Nussbaumer, Christoph Grabmuller, Jinbo Chen, Christian Colmsee, Sebastian Beier, Martin Mascher, Thomas Schmutzer, Daniel Arend, Anil Thanki, Ricardo Ramirez-Gonzalez, Martin Ayling, Sarah Ayling, Mario Caccamo, Klaus F X Mayer, Uwe Scholz, Delphine Steinbach, Hadi Quesneville, Paul J Kersey
The genome sequences of many important Triticeae species, including bread wheat ( L.) and barley ( L.), remained uncharacterized for a long time because their high repeat content, large sizes, and polyploidy. As a result of improvements in sequencing technologies and novel analyses strategies, several of these have recently been deciphered. These efforts have generated new insights into Triticeae biology and genome organization and have important implications for downstream usage by breeders, experimental biologists, and comparative genomicists...
March 2016: Plant Genome
https://www.readbyqxmd.com/read/27897223/fast-and-simple-decycling-and-dismantling-of-networks
#13
Lenka Zdeborová, Pan Zhang, Hai-Jun Zhou
Decycling and dismantling of complex networks are underlying many important applications in network science. Recently these two closely related problems were tackled by several heuristic algorithms, simple and considerably sub-optimal, on the one hand, and involved and accurate message-passing ones that evaluate single-node marginal probabilities, on the other hand. In this paper we propose a simple and extremely fast algorithm, CoreHD, which recursively removes nodes of the highest degree from the 2-core of the network...
November 29, 2016: Scientific Reports
https://www.readbyqxmd.com/read/27897016/open-data-for-discovery-science
#14
Philip R O Payne, Kun Huang, Nigam H Shah, Jessica Tenenbaum
The modern healthcare and life sciences ecosystem is moving towards an increasingly open and data-centric approach to discovery science. This evolving paradigm is predicated on a complex set of information needs related to our collective ability to share, discover, reuse, integrate, and analyze open biological, clinical, and population level data resources of varying composition, granularity, and syntactic or semantic consistency. Such an evolution is further impacted by a concomitant growth in the size of data sets that can and should be employed for both hypothesis discovery and testing...
2016: Pacific Symposium on Biocomputing
https://www.readbyqxmd.com/read/27896968/exploring-the-reproducibility-of-probabilistic-causal-molecular-network-models
#15
Ariella Cohain, Aparna A Divaraniya, Kuixi Zhu, Joseph R Scarpa, Andrew Kasarskis, Jun Zhu, Rui Chang, Joel T Dudley, Eric E Schadt
Network reconstruction algorithms are increasingly being employed in biomedical and life sciences research to integrate large-scale, high-dimensional data informing on living systems. One particular class of probabilistic causal networks being applied to model the complexity and causal structure of biological data is Bayesian networks (BNs). BNs provide an elegant mathematical framework for not only inferring causal relationships among many different molecular and higher order phenotypes, but also for incorporating highly diverse priors that provide an efficient path for incorporating existing knowledge...
2016: Pacific Symposium on Biocomputing
https://www.readbyqxmd.com/read/27896684/use-of-spray-dried-dispersions-in-early-pharmaceutical-development-theoretical-and-practical-challenges
#16
Jinjiang Li, Dhaval Patel, George Wang
Spray-dried dispersions (SDDs) have become an important formulation technology for the pharmaceutical product development of poorly water-soluble (PWS) compounds. Although this technology is now widely used in the industry, especially in the early-phase development, the lack of mechanistic understanding still causes difficulty in selecting excipients and predicting stability of SDD-based drug products. In this review, the authors aim to discuss several principles of polymer science pertaining to the development of SDDs, in terms of selecting polymers and solvents, optimizing drug loading, as well as assessing physical stability on storage and supersaturation maintenance after dissolution, from both thermodynamic and kinetic considerations...
November 28, 2016: AAPS Journal
https://www.readbyqxmd.com/read/27896264/improving-fidelity-of-translation-of-the-stepping-on-falls-prevention-program-through-root-cause-analysis
#17
Jane E Mahoney, Vicki L Gobel, Terry Shea, Jodi Janczewski, Sandy Cech, Lindy Clemson
BACKGROUND: Fidelity monitoring is essential with implementation of complex health interventions, but there is little description of how to use results of fidelity monitoring to improve the draft program package prior to widespread dissemination. Root cause analysis (RCA) provides a systematic approach to identifying underlying causes and devising solutions to prevent errors in complex processes. Its use has not been described in implementation science. METHODS: Stepping On (SO) is a small group, community-based intervention that has been shown to reduce falls by 31%...
2016: Frontiers in Public Health
https://www.readbyqxmd.com/read/27894378/an-experimental-approach-to-linguistic-representation
#18
Holly P Branigan, Martin J Pickering
Within the cognitive sciences, most researchers assume that it is the job of linguists to investigate how language is represented, and that they do so largely by building theories based on explicit judgments about patterns of acceptability - whereas it is the task of psychologists to determine how language is processed, and that in doing so, they do not typically question the linguists' representational assumptions. We challenge this division of labor, by arguing that structural priming provides an implicit method of investigating linguistic representations that should end the current reliance on acceptability judgments...
November 29, 2016: Behavioral and Brain Sciences
https://www.readbyqxmd.com/read/27893252/developing-knowledge-of-nonadjacent-dependencies
#19
Jennifer Culbertson, Elena Koulaguina, Nayeli Gonzalez-Gomez, Géraldine Legendre, Thierry Nazzi
Characterizing the nature of linguistic representations and how they emerge during early development is a central goal in the cognitive science of language. One area in which this development plays out is in the acquisition of dependencies-relationships between co-occurring elements in a word, phrase, or sentence. These dependencies often involve multiple levels of representation and abstraction, built up as infants gain experience with their native language. The authors used the Headturn Preference Procedure to systematically investigate the early acquisition of 1 such dependency, the agreement between a subject and verb in French, at 6 different ages between 14 and 24 months...
December 2016: Developmental Psychology
https://www.readbyqxmd.com/read/27892524/vectorized-magnetometer-for-space-applications-using-electrical-readout-of-atomic-scale-defects-in-silicon-carbide
#20
Corey J Cochrane, Jordana Blacksberg, Mark A Anders, Patrick M Lenahan
Magnetometers are essential for scientific investigation of planetary bodies and are therefore ubiquitous on missions in space. Fluxgate and optically pumped atomic gas based magnetometers are typically flown because of their proven performance, reliability, and ability to adhere to the strict requirements associated with space missions. However, their complexity, size, and cost prevent their applicability in smaller missions involving cubesats. Conventional solid-state based magnetometers pose a viable solution, though many are prone to radiation damage and plagued with temperature instabilities...
November 28, 2016: Scientific Reports
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