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https://www.readbyqxmd.com/read/28811540/ultralow-lattice-thermal-conductivity-of-the-random-multilayer-structure-with-lattice-imperfections
#1
Pranay Chakraborty, Lei Cao, Yan Wang
Randomizing the layer thickness of superlattices (SL) can lead to localization of coherent phonons and thereby reduces the lattice thermal conductivity κ l . In this work, we propose strategies that can suppress incoherent phonon transport in the above random multilayer (RML) structure to further reduce κ l . Molecular dynamics simulations are conducted to investigate phonon heat conduction in SLs and RMLs with lattice imperfections. We found that interfacial species mixing enhances thermal transport across single interfaces and few-period SLs through the phonon "bridge" mechanism, while it substantially reduces the κ l of many-period SLs by breaking the phonon coherence...
August 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28811124/two-cap-residues-in-the-s1-subsite-of-a-plasmodium-falciparum-m1-family-aminopeptidase-promote-broad-specificity-and-enhance-catalysis
#2
Matthew Rosati, Seema Dalal, Michael Klemba
The aminopeptidase PfA-M1 is a key contributor to peptide catabolism in the human malaria parasite Plasmodium falciparum. PfA-M1 substrate specificity is shaped by the cylindrical S1 subsite, which accommodates the sidechain of the substrate P1 residue. At the top of the S1 subsite are two "cap" residues, E572 and M1034, that are positioned to influence S1 subsite specificity. In this study, we have mutated the cap residues, individually and together, and have evaluated the effects on PfA-M1 specificity and catalytic efficiency...
August 12, 2017: Molecular and Biochemical Parasitology
https://www.readbyqxmd.com/read/28809116/organoimido-polyoxometalate-nonlinear-optical-chromophores-a-structural-spectroscopic-and-computational-study
#3
Ahmed Al-Yasari, Nick Van Steerteghem, Hayleigh Kearns, Hani El Moll, Karen Faulds, Joseph A Wright, Bruce S Brunschwig, Koen Clays, John Fielden
Ten organoimido polyoxometalate (POM)-based chromophores have been synthesized and studied by hyper-Rayleigh scattering (HRS), Stark and Resonance Raman spectroscopies, and density functional theory (DFT) calculations. HRS β0 values for chromophores with resonance electron donors are significant (up to 139 × 10(-30) esu, ∼5 times greater than that of the DAS(+) cation), but systems with no donor, or the -NO2 acceptor show no activity, in some cases, despite large DFT-predicted β-values. In active systems with short (phenyl) π-bridges, β0 values comfortably exceed that of the purely organic structural analogue N,N-dimethyl-4-nitroaniline (DMPNA), and intrinsic β-values, β0/N(3/2) (where N is the number of bridge π-electrons) thus appear to break empirical performance limits (β0/N(3/2) vs λmax) for planar organic systems...
August 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28809111/tumor-acidic-microenvironment-targeted-drug-delivery-based-on-phlip-modified-mesoporous-organosilica-nanoparticles
#4
Yunlei Zhang, Meng Dang, Ying Tian, Yefei Zhu, Wenfei Liu, Wei Tian, Yunyan Su, Qianqian Ni, Chaoli Xu, Nan Lu, Jun Tao, Yanjun Li, Shuang Zhao, Ying Zhao, Zhenlu Yang, Li Sun, Zhaogang Teng, Guangming Lu
Enhancing the tumor-targeting delivery of chemotherapeutic drugs is important yet challenging for improving therapeutic efficacy and reducing the side effects. Here, we firstly construct a drug delivery system for targeting tumor acidic microenvironment by modification of pH (low) insertion peptide (pHLIP) on mesoporous organosilica nanoparticles (MONs). The MONs has thioether-bridged framework, uniform diameter (60 nm), good biocompatibility and high doxorubicin (DOX) loading capacity (334 mg/g). The DOX loaded in the pHLIP modified MONs can be released responsive to glutathione and low pH circumstance, ensuring the chemotherapeutic drug exerts higher cytotoxic effects to cancer cells than normal cells because of high intracellular GSH of tumor cells and low pH of tumor microenvironment...
August 15, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28808033/multiplex-quantitative-cellular-analysis-in-large-tissue-volumes-with-clearing-enhanced-3d-microscopy-ce3d
#5
Weizhe Li, Ronald N Germain, Michael Y Gerner
Organ homeostasis, cellular differentiation, signal relay, and in situ function all depend on the spatial organization of cells in complex tissues. For this reason, comprehensive, high-resolution mapping of cell positioning, phenotypic identity, and functional state in the context of macroscale tissue structure is critical to a deeper understanding of diverse biological processes. Here we report an easy to use method, clearing-enhanced 3D (Ce3D), which generates excellent tissue transparency for most organs, preserves cellular morphology and protein fluorescence, and is robustly compatible with antibody-based immunolabeling...
August 14, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28806752/the-escrt-iii-pathway-facilitates-cardiomyocyte-release-of-cbin1-containing-microparticles
#6
Bing Xu, Ying Fu, Yan Liu, Sosse Agvanian, Robert C Wirka, Rachel Baum, Kang Zhou, Robin M Shaw, TingTing Hong
Microparticles (MPs) are cell-cell communication vesicles derived from the cell surface plasma membrane, although they are not known to originate from cardiac ventricular muscle. In ventricular cardiomyocytes, the membrane deformation protein cardiac bridging integrator 1 (cBIN1 or BIN1+13+17) creates transverse-tubule (t-tubule) membrane microfolds, which facilitate ion channel trafficking and modulate local ionic concentrations. The microfold- generated microdomains continuously reorganize, adapting in response to stress to modulate the calcium signaling apparatus...
August 14, 2017: PLoS Biology
https://www.readbyqxmd.com/read/28806121/social-capital-accumulation-in-location-based-mobile-game-playing-a-multiple-process-approach
#7
Hei-Tung Sung, Leif Sigerson, Cecilia Cheng
In the summer of 2016, the widespread popularization of the game Pokémon Go brought the public's attention to the possible socialization benefits associated with location-based mobile games (LBMGs), yet no studies to date have investigated this issue. LBMGs deserve greater research attention because this type of game provides a unique gaming experience that encourages players to leave their homes and navigate around their neighborhood. This distinctive feature may promote more face-to-face interactions among LBMG players...
August 2017: Cyberpsychology, Behavior and Social Networking
https://www.readbyqxmd.com/read/28805224/molecular-dynamics-based-strength-estimates-of-beta-solenoid-proteins
#8
Amanda Parker, Krishnakumar Ravikumar, Daniel Cox
The use of beta solenoid proteins as functionalizable, nanoscale, self-assembling molecular building blocks may have many applications, including templating the growth of wires or higher-dimensional structures. By understanding their mechanical strengths, we can efficiently design the proteins for specific functions. We present a study of the mechanical properties of seven beta solenoid proteins using GROMACS molecular dynamics software to produce force/torque-displacement data, implement umbrella sampling of bending/twisting trajectories, produce Potentials of Mean Force (PMFs), extract effective spring constants, and calculate rigidities for two bending and two twisting directions for each protein...
August 14, 2017: Soft Matter
https://www.readbyqxmd.com/read/28802992/effects-of-humic-acid-and-heavy-metals-on-the-sorption-of-polar-and-apolar-organic-pollutants-onto-biochars
#9
Fei Wang, Hongwen Sun, Xinhao Ren, Yarui Liu, Hongkai Zhu, Peng Zhang, Chao Ren
The effects of humic acid (HA) and heavy metals (Cu(2+) and Ag(+)) on the sorption of polar and apolar organic pollutants onto biochars that were produced at temperatures of 200 °C (BC200) and 700 °C (BC700) were studied. Due to the plentiful polar functional groups on BC200, cationic propranolol exhibited higher levels of sorption than naphthalene on BC200 while naphthalene and propranolol showed similar sorption capacities on BC700. HA changed the characteristics of biochars and generally inhibited the sorption of target organic pollutants on biochars; however, enhancement occurred in some cases depending on the pollutants involved and their concentrations, biochars used and the addition sequences and concentrations of HA...
August 10, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28802838/identification-of-immune-correlates-of-protection-in-shigella-infection-by-application-of-machine-learning
#10
Jorge M Arevalillo, Marcelo B Sztein, Karen L Kotloff, Myron M Levine, Jakub K Simon
BACKGROUND: Immunologic correlates of protection are important in vaccine development because they give insight into mechanisms of protection, assist in the identification of promising vaccine candidates, and serve as endpoints in bridging clinical vaccine studies. Our goal is the development of a methodology to identify immunologic correlates of protection using the Shigella challenge as a model. METHODS: The proposed methodology utilizes the Random Forests (RF) machine learning algorithm as well as Classification and Regression Trees (CART) to detect immune markers that predict protection, identify interactions between variables, and define optimal cutoffs...
August 9, 2017: Journal of Biomedical Informatics
https://www.readbyqxmd.com/read/28801577/effects-of-disulfide-bridges-and-backbone-connectivity-on-water-sorption-by-protein-matrices
#11
Sang Beom Kim, Rakesh S Singh, Prem K C Paul, Pablo G Debenedetti
Understanding the water sorption behavior of protein powders is important in applications such as the preservation of protein-based pharmaceuticals. Most globular proteins exhibit a characteristic sigmoidal water adsorption isotherm at ambient conditions. However, it is not well understood how water sorption behavior is influenced by intrinsic factors that are related to structural properties of proteins. We investigate computationally how structural constraints on proteins influence the water sorption isotherms of amorphous protein powders...
August 11, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28799374/overcoming-time-scale-and-finite-size-limitations-to-compute-nucleation-rates-from-small-scale-well-tempered-metadynamics-simulations
#12
Matteo Salvalaglio, Pratyush Tiwary, Giovanni Maria Maggioni, Marco Mazzotti, Michele Parrinello
Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes...
December 7, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28798749/enhancement-of-adjuvant-functions-of-natural-killer-t-cells-using-nanovector-delivery-systems-application-in-anticancer-immune-therapy
#13
REVIEW
Reem Ghinnagow, Luis Javier Cruz, Elodie Macho-Fernandez, Christelle Faveeuw, François Trottein
Type I natural killer T (NKT) cells have gained considerable interest in anticancer immune therapy over the last decade. This "innate-like" T lymphocyte subset has the unique ability to recognize foreign and self-derived glycolipid antigens in association with the CD1d molecule expressed by antigen-presenting cells. An important property of these cells is to bridge innate and acquired immune responses. The adjuvant function of NKT cells might be exploited in the clinics. In this review, we discuss the approaches currently being used to target NKT cells for cancer therapy...
2017: Frontiers in Immunology
https://www.readbyqxmd.com/read/28797270/implementing-the-teen-marijuana-check-up-in-schools-a-study-protocol
#14
Bryan Hartzler, Aaron R Lyon, Denise D Walker, Lauren Matthews, Kevin M King, Kathryn E McCollister
BACKGROUND: Substance misuse is now encountered in settings beyond addiction specialty care, with schools a point-of-contact for student access to behavioral health services. Marijuana is a leading impetus for adolescent treatment admissions despite declining risk perception, for which the Teen Marijuana Check-Up (TMCU)-a tailored adaptation of motivational enhancement therapy-offers an efficacious service option. To bridge the knowledge gap concerning effective and affordable technical assistance strategies for implementing empirically supported services, the described trial will test such a strategy to facilitate school-based TMCU implementation...
August 10, 2017: Implementation Science: IS
https://www.readbyqxmd.com/read/28780673/investigating-the-genetic-relationship-between-alzheimer-s-disease-and-cancer-using-gwas-summary-statistics
#15
Yen-Chen Anne Feng, Kelly Cho, Sara Lindstrom, Peter Kraft, Jean Cormack, Liming Liang, Jane A Driver
Growing evidence from both epidemiology and basic science suggest an inverse association between Alzheimer's disease (AD) and cancer. We examined the genetic relationship between AD and various cancer types using GWAS summary statistics from the IGAP and GAME-ON consortia. Sample size ranged from 9931 to 54,162; SNPs were imputed to the 1000 Genomes European panel. Our results based on cross-trait LD Score regression showed a significant positive genetic correlation between AD and five cancers combined (colon, breast, prostate, ovarian, lung; r g = 0...
August 5, 2017: Human Genetics
https://www.readbyqxmd.com/read/28777353/a-dimensionality-reduction-based-multi-step-clustering-method-for-robust-vessel-trajectory-analysis
#16
Huanhuan Li, Jingxian Liu, Ryan Wen Liu, Naixue Xiong, Kefeng Wu, Tai-Hoon Kim
The Shipboard Automatic Identification System (AIS) is crucial for navigation safety and maritime surveillance, data mining and pattern analysis of AIS information have attracted considerable attention in terms of both basic research and practical applications. Clustering of spatio-temporal AIS trajectories can be used to identify abnormal patterns and mine customary route data for transportation safety. Thus, the capacities of navigation safety and maritime traffic monitoring could be enhanced correspondingly...
August 4, 2017: Sensors
https://www.readbyqxmd.com/read/28772848/effect-of-the-cationic-block-structure-on-the-characteristics-of-sludge-flocs-formed-by-charge-neutralization-and-patching
#17
Huaili Zheng, Li Feng, Baoyu Gao, Yuhao Zhou, Shixin Zhang, Bingchen Xu
In this study, a template copolymer (TPAA) of (3-Acrylamidopropyl) trimethylammonium chloride (AATPAC) and acrylamide (AM) was successfully synthesized though ultrasonic-initiated template copolymerization (UTP), using sodium polyacrylate (PAAS) as a template. TPAA was characterized by an evident cationic microblock structure which was observed through the analyses of the reactivity ratio, Fourier transform infrared spectroscopy (FTIR), ¹H ((13)C) nuclear magnetic resonance spectroscopy (¹H ((13)C) NMR), and thermogravimetry/differential scanning calorimetry (TG/DSC)...
May 3, 2017: Materials
https://www.readbyqxmd.com/read/28772821/effects-of-hfb%C3%A2-and-hfn-additions-on-the-microstructures-and-mechanical-properties-of-tib%C3%A2-based-ceramic-tool-materials
#18
Jing An, Jinpeng Song, Guoxing Liang, Jiaojiao Gao, Juncai Xie, Lei Cao, Shiying Wang, Ming Lv
The effects of HfB₂ and HfN additions on the microstructures and mechanical properties of TiB₂-based ceramic tool materials were investigated. The results showed that the HfB₂ additive not only can inhibit the TiB₂ grain growth but can also change the morphology of some TiB₂ grains from bigger polygons to smaller polygons or longer ovals that are advantageous for forming a relatively fine microstructure, and that the HfN additive had a tendency toward agglomeration. The improvement of flexural strength and Vickers hardness of the TiB₂-HfB₂ ceramics was due to the relatively fine microstructure; the decrease of fracture toughness was ascribed to the formation of a weaker grain boundary strength due to the brittle rim phase and the poor wettability between HfB₂ and Ni...
April 27, 2017: Materials
https://www.readbyqxmd.com/read/28772644/design-optimization-and-structural-performance-evaluation-of-plate-girder-bridge-constructed-using-a-turn-over-process
#19
Gi-Ha Eom, Sung Jae Kim, Tae-Hee Lee, Jang-Ho Jay Kim
A recent trend in bridge construction has been the optimization of the cost-to-performance ratio. The most effective way to optimize the cost-to-performance ratio is to maximize the efficiency of the superstructure. Currently, many bridge engineers and designers favor two- or three- girder plate superstructures, due to their cost advantages. However, research on the performance enhancements of the I-type girder in two- or three- girder plate bridges is lacking. One of the most important performance improvement technologies for the I-type girder is the "preflex" method...
March 13, 2017: Materials
https://www.readbyqxmd.com/read/28772584/lighting-the-way-to-see-inside-two-photon-absorption-materials-structure-property-relationship-and-biological-imaging
#20
REVIEW
Qiong Zhang, Xiaohe Tian, Hongping Zhou, Jieying Wu, Yupeng Tian
The application of two-photon absorption (2PA) materials is a classical research field and has recently attracted increasing interest. It has generated a demand for new dyes with high 2PA cross-sections. In this short review, we briefly cover the structure-2PA property relationships of organic fluorophores, organic-inorganic nanohybrids and metal complexes explored by our group. (1) The two-photon absorption cross-section (δ) of organic fluorophores increases with the extent of charge transfer, which is important to optimize the core, donor-acceptor pair, and conjugation-bridge to obtain a large δ value...
February 23, 2017: Materials
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