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Complexity Sciences

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https://www.readbyqxmd.com/read/28722036/quantitative-probing-of-subtle-interactions-among-h-bonds-in-alpha-hydroxy-carboxylic-acid-complexes
#1
Quanli Gu, Peifeng Su, Yong Xia, Zhijun Yang, Carl O Trindle, Joseph L Knee
Hydrogen (H) bonds are of fundamental importance in a wide range of molecular sciences. While the study of two-center H-bonding AH is well advanced, much remains to be learned in a quantitative and definitive manner for complexes with multiple H-bonds. Exemplary cases are in the category of alpha hydroxy carboxylic acids, i.e., the complexes of glycolic acid with water and formic acid. In glycolic acid, an intramolecular H-bond forms between the carboxyl group and the alpha OH group. The alpha OH stretching frequency may be affected upon complexing with water or formic acid...
July 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28720873/bulk-vs-surface-structure-of-3d-metal-impurities-in-topological-insulator-bi2te3
#2
B Leedahl, D W Boukhvalov, E Z Kurmaev, A Kukharenko, I S Zhidkov, N V Gavrilov, S O Cholakh, P Huu Le, C Wei Luo, A Moewes
Topological insulators have become one of the most prominent research topics in materials science in recent years. Specifically, Bi2Te3 is one of the most promising for technological applications due to its conductive surface states and insulating bulk properties. Herein, we contrast the bulk and surface structural environments of dopant ions Cr, Mn, Fe, Co, Ni, and Cu in Bi2Te3 thin films in order to further elucidate this compound. Our measurements show the preferred oxidation state and surrounding crystal environment of each 3d-metal atomic species, and how they are incorporated into Bi2Te3...
July 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28717621/effects-of-the-menstrual-cycle-on-lower-limb-biomechanics-neuromuscular-control-and-anterior-cruciate-ligament-injury-risk-a-systematic-review
#3
REVIEW
Vivek Balachandar, Jan-Luigi Marciniak, Owen Wall, Chandrika Balachandar
OBJECTIVE: Anterior cruciate ligament (ACL) injury has a devastating impact on physical and psychological disability. Rates of ACL rupture are significantly greater in females than males during the same sports. Hormonal mechanisms have been proposed but are complex and poorly understood. This systematic review evaluates the effects of menstrual cycle on: 1) lower-limb biomechanics, 2) neuromuscular control, and 3) ACL injury risk. METHODS: The MEDLINE, CINAHL, SPORTSDiscus, Web of Science, and Google Scholar databases were searched from inception to August 2016 for studies investigating the effects of the menstrual cycle on lower-limb biomechanics, neuromuscular control, and ACL injury risk in females...
January 2017: Muscles, Ligaments and Tendons Journal
https://www.readbyqxmd.com/read/28716648/applications-of-high-speed-atomic-force-microscopy-to-real-time-visualization-of-dynamic-biomolecular-processes
#4
REVIEW
Takayuki Uchihashi, Simon Scheuring
BACKGROUND: Many biological processes in a living cell are consequences of sequential and hierarchical dynamic events of biological macromolecules such as molecular interactions and conformational changes. Hence, knowledge of structures, assembly and dynamics of proteins is the foundation for understanding how biological molecules work. Among several techniques to analyze dynamics of proteins, high-speed atomic force microscopy (HS-AFM) is unique to provide direct information about both structure and dynamics of single proteins at work...
July 14, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28715367/microfluidic-imaging-flow-cytometry-by-asymmetric-detection-time-stretch-optical-microscopy-atom
#5
Anson H L Tang, Queenie T K Lai, Bob M F Chung, Kelvin C M Lee, Aaron T Y Mok, G K Yip, Anderson H C Shum, Kenneth K Y Wong, Kevin K Tsia
Scaling the number of measurable parameters, which allows for multidimensional data analysis and thus higher-confidence statistical results, has been the main trend in the advanced development of flow cytometry. Notably, adding high-resolution imaging capabilities allows for the complex morphological analysis of cellular/sub-cellular structures. This is not possible with standard flow cytometers. However, it is valuable for advancing our knowledge of cellular functions and can benefit life science research, clinical diagnostics, and environmental monitoring...
June 28, 2017: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/28712182/trend-of-irrational-medication-among-the-students-of-department-of-pharmacy-abbottabad-university-of-science-and-technology-in-common-cold-and-flu
#6
Mujeeb Ur Rehman, Saif Ullah Mehsud, Sartaj Ali, Muhammad Ishaq, Mumtaz Ali Khan
BACKGROUND: Common cold and flu are mostly of viral pathogenesis with symptoms in upper respiratory tract. It is highly contagious and close inter-individual contact in winter season increase the spread spectrum. Mis-interpretation with bacterial cause leads to irrationality in its medication. METHODS: A cross-sectional study was conducted among pharmacy department students in February-March 2016. Data were collected through self-administered questionnaire and expressed as percentage frequency...
January 2017: Journal of Ayub Medical College, Abbottabad: JAMC
https://www.readbyqxmd.com/read/28711344/modeling-human-behavior-in-economics-and-social-science
#7
REVIEW
M Dolfin, L Leonida, N Outada
The complex interactions between human behaviors and social economic sciences is critically analyzed in this paper in view of possible applications of mathematical modeling as an attainable interdisciplinary approach to understand and simulate the aforementioned dynamics. The quest is developed along three steps: Firstly an overall analysis of social and economic sciences indicates the main requirements that a contribution of mathematical modeling should bring to these sciences; subsequently the focus moves to an overview of mathematical tools and to the selection of those which appear, according to the authors bias, appropriate to the modeling; finally, a survey of applications is presented looking ahead to research perspectives...
June 29, 2017: Physics of Life Reviews
https://www.readbyqxmd.com/read/28710502/indicators-of-marine-pollution-in-the-north-pacific-ocean
#8
Tanya M Brown, Hideshige Takada
The complex nature of ocean pollution underscores the utility in identifying and characterizing a limited number of "indicators" that enables scientists and managers to track trends over space and time. This paper introduces a special issue on indicators of marine pollution in the North Pacific Ocean and builds on a scientific session that was held at the North Pacific Marine Science Organization. The special issue highlights studies using a variety of indicators to provide insight into the identification of legacy and emerging contaminants, the ranking of priority pollutants from various sources, and the effects of contaminants on ecosystem health in the North Pacific Ocean...
July 14, 2017: Archives of Environmental Contamination and Toxicology
https://www.readbyqxmd.com/read/28710411/can-weather-generation-capture-precipitation-patterns-across-different-climates-spatial-scales-and-under-data-scarcity
#9
Korbinian Breinl, Giuliano Di Baldassarre, Marc Girons Lopez, Michael Hagenlocher, Giulia Vico, Anna Rutgersson
Stochastic weather generators can generate very long time series of weather patterns, which are indispensable in earth sciences, ecology and climate research. Yet, both their potential and limitations remain largely unclear because past research has typically focused on eclectic case studies at small spatial scales in temperate climates. In addition, stochastic multi-site algorithms are usually not publicly available, making the reproducibility of results difficult. To overcome these limitations, we investigated the performance of the reduced-complexity multi-site precipitation generator TripleM across three different climatic regions in the United States...
July 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28710041/create-run-share-publish-and-reference-your-lc-ms-fia-ms-gc-ms-and-nmr-data-analysis-workflows-with-workflow4metabolomics-3-0-the-galaxy-online-infrastructure-for-metabolomics
#10
Yann Guitton, Marie Tremblay-Franco, Gildas Le Corguillé, Jean-François Martin, Mélanie Pétéra, Pierrick Roger-Mele, Alexis Delabrière, Sophie Goulitquer, Misharl Monsoor, Christophe Duperier, Cécile Canlet, Rémi Servien, Patrick Tardivel, Christophe Caron, Franck Giacomoni, Etienne A Thévenot
Metabolomics is a key approach in modern functional genomics and systems biology. Due to the complexity of metabolomics data, the variety of experimental designs, and the variety of existing bioinformatics tools, providing experimenters with a simple and efficient resource to conduct comprehensive and rigorous analysis of their data is of utmost importance. In 2014, we launched the Workflow4Metabolomics (W4M; http://workflow4metabolomics.org) online infrastructure for metabolomics built on the Galaxy environment, which offers user-friendly features to build and run data analysis workflows including preprocessing, statistical analysis, and annotation steps...
July 11, 2017: International Journal of Biochemistry & Cell Biology
https://www.readbyqxmd.com/read/28709871/protein-rna-complexation-driven-by-the-charge-regulation-mechanism
#11
Fernando Luís Barroso da Silva, Philippe Derreumaux, Samuela Pasquali
Electrostatic interactions play a pivotal role in many (bio)molecular association processes. The molecular organization and function in biological systems are largely determined by these interactions from pure Coulombic contributions to more peculiar mesoscopic forces due to ion-ion correlation and proton fluctuations. The latter is a general electrostatic mechanism that gives attraction particularly at low electrolyte concentrations. This charge regulation mechanism due to titrating amino acid and nucleotides residues is discussed here in a purely electrostatic framework...
July 11, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/28708237/playing-with-ideas-evaluating-the-impact-of-the-ultimate-block-party-a-collective-experiential-intervention-to-enrich-perceptions-of-play
#12
Rachel Grob, Mark Schlesinger, Amy Pace, Roberta Michnick Golinkoff, Kathy Hirsh-Pasek
Parental attitudes shape play opportunities afforded to children in home, community, and school settings. This study presents evaluation of an intervention designed to enrich parent's conception of play and its relationship with socially valued skills and capacities. On the basis of data from 291 racially and ethnically diverse parents/caregivers of young children (median age between 3 and 6) attending an event in NYC, we find the intervention helped parents conceptualize play in complex ways and altered perceptions of its impact on children's current-but not future-lives...
July 14, 2017: Child Development
https://www.readbyqxmd.com/read/28707865/religion-and-science-in-the-eastern-mediterranean
#13
COMMENT
Robert Morrison
“Science and Orthodox Christianity: An Overview” is an ambitious survey that reminds scholars of science in Islamic societies that the conversation between Islam and science is really a conversation between Islam and science in different contexts and that conversations between Islam and science can be found with less renowned scientific developments such as prophetic medicine. This response points out parallels in how Greek Orthodox and Ottoman Muslim scholars mediated new developments in Western European science and in how both Greek Orthodox and some Ottoman Muslim scholars propounded a mathematical humanism...
September 2016: Isis; An International Review Devoted to the History of Science and its Cultural Influences
https://www.readbyqxmd.com/read/28707856/science-and-orthodox-christianity-an-overview
#14
Efthymios Nicolaidis, Eudoxie Delli, Nikolaos Livanos, Kostas Tampakis, George Vlahakis
This essay offers an overview of the history of the relations between science and Eastern Christianity based on Greek-language sources. The civilizations concerned are the Byzantine Empire, the Christian Orthodox communities of the Ottoman Empire, and modern Greece, as a case study of a national state. Beginning with the Greek Church Fathers, the essay investigates the ideas of theologians and scholars on nature. Neoplatonism, the theological debates of Iconoclasm and Hesychasm, the proposed union of the Eastern and Western Churches, and the complex relations with the Hellenic past all had notable impacts on the conception of science held by the Byzantine Orthodox...
September 2016: Isis; An International Review Devoted to the History of Science and its Cultural Influences
https://www.readbyqxmd.com/read/28707202/executive-functioning-impairment-in-women-treated-with-chemotherapy-for-breast-cancer-a-systematic-review
#15
REVIEW
Christie Yao, Lori J Bernstein, Jill B Rich
PURPOSE: Women with breast cancer have reported adverse cognitive effects following chemotherapy. Evidence is mixed on whether executive functioning is particularly impaired in women treated with chemotherapy, in part due to the wide range of tasks used to measure executive processes. We performed a systematic review of the published literature to evaluate whether some subcomponents of executive functioning are more vulnerable to impairment than others among breast cancer survivors who had been treated with chemotherapy...
July 13, 2017: Breast Cancer Research and Treatment
https://www.readbyqxmd.com/read/28706917/insights-into-study-design-and-statistical-analyses-in-translational-microbiome-studies
#16
REVIEW
Jyoti Shankar
Research questions in translational microbiome studies are substantially more complex than their counterparts in basic science. Robust study designs with appropriate statistical analysis frameworks are pivotal to the success of these translational studies. This review considers how study designs can account for heterogeneous phenotypes by adopting representative sampling schemes for recruiting the study population and making careful choices about the control population. Advantages and limitations of 16S profiling and whole-genome sequencing, the two primary techniques for measuring the microbiome, are discussed followed by an overview of bioinformatic processing of high-throughput sequencing data from these measurements...
June 2017: Annals of Translational Medicine
https://www.readbyqxmd.com/read/28706325/axsis-exploring-the-frontiers-in-attosecond-x-ray-science-imaging-and-spectroscopy
#17
F X Kärtner, F Ahr, A-L Calendron, H Çankaya, S Carbajo, G Chang, G Cirmi, K Dörner, U Dorda, A Fallahi, A Hartin, M Hemmer, R Hobbs, Y Hua, W R Huang, R Letrun, N Matlis, V Mazalova, O D Mücke, E Nanni, W Putnam, K Ravi, F Reichert, I Sarrou, X Wu, A Yahaghi, H Ye, L Zapata, D Zhang, C Zhou, R J D Miller, K K Berggren, H Graafsma, A Meents, R W Assmann, H N Chapman, P Fromme
X-ray crystallography is one of the main methods to determine atomic-resolution 3D images of the whole spectrum of molecules ranging from small inorganic clusters to large protein complexes consisting of hundred-thousands of atoms that constitute the macromolecular machinery of life. Life is not static, and unravelling the structure and dynamics of the most important reactions in chemistry and biology is essential to uncover their mechanism. Many of these reactions, including photosynthesis which drives our biosphere, are light induced and occur on ultrafast timescales...
September 1, 2016: Nuclear Instruments & Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment
https://www.readbyqxmd.com/read/28706065/global-analysis-of-protein-folding-using-massively-parallel-design-synthesis-and-testing
#18
Gabriel J Rocklin, Tamuka M Chidyausiku, Inna Goreshnik, Alex Ford, Scott Houliston, Alexander Lemak, Lauren Carter, Rashmi Ravichandran, Vikram K Mulligan, Aaron Chevalier, Cheryl H Arrowsmith, David Baker
Proteins fold into unique native structures stabilized by thousands of weak interactions that collectively overcome the entropic cost of folding. Although these forces are "encoded" in the thousands of known protein structures, "decoding" them is challenging because of the complexity of natural proteins that have evolved for function, not stability. We combined computational protein design, next-generation gene synthesis, and a high-throughput protease susceptibility assay to measure folding and stability for more than 15,000 de novo designed miniproteins, 1000 natural proteins, 10,000 point mutants, and 30,000 negative control sequences...
July 14, 2017: Science
https://www.readbyqxmd.com/read/28705011/the-experiences-and-beliefs-of-patients-with-complex-regional-pain-syndrome-an-exploratory-survey-study
#19
Adriaan Louw, Kory Zimney, Terry Cox, Christine O'Hotto, Craig A Wassinger
Objectives To determine the beliefs and describe the health care experiences of patients with complex regional pain syndrome. Methods A survey tool for patients with complex regional pain syndrome was designed for this study. The survey tool collected self-reported measures associated with pain, disability, health care experiences, education, beliefs, and treatments. Results Thirty-one patients attending physical therapy for complex regional pain syndrome (mean age 40.48; female n = 20) completed the survey...
January 1, 2017: Chronic Illness
https://www.readbyqxmd.com/read/28701816/brief-history-of-agricultural-systems-modeling
#20
James W Jones, John M Antle, Bruno Basso, Kenneth J Boote, Richard T Conant, Ian Foster, H Charles J Godfray, Mario Herrero, Richard E Howitt, Sander Janssen, Brian A Keating, Rafael Munoz-Carpena, Cheryl H Porter, Cynthia Rosenzweig, Tim R Wheeler
Agricultural systems science generates knowledge that allows researchers to consider complex problems or take informed agricultural decisions. The rich history of this science exemplifies the diversity of systems and scales over which they operate and have been studied. Modeling, an essential tool in agricultural systems science, has been accomplished by scientists from a wide range of disciplines, who have contributed concepts and tools over more than six decades. As agricultural scientists now consider the "next generation" models, data, and knowledge products needed to meet the increasingly complex systems problems faced by society, it is important to take stock of this history and its lessons to ensure that we avoid re-invention and strive to consider all dimensions of associated challenges...
July 2017: Agricultural Systems
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