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https://www.readbyqxmd.com/read/28719844/phosphate-functionalized-4-4-armchair-cnts-as-novel-drug-delivery-systems-for-alendronate-and-etidronate-anti-osteoporosis-drugs
#1
Zahra Nikfar, Zahra Shariatinia
The ability of (4,4)-armchair CNT and its three phosphate functionalized forms (CNT-nH2PO4, n=1-3) were evaluated as novel drug delivery systems (DDSs) for the two commercially well-known anti-osteoporosis drugs namely alendronate (AL) and etidronate (ET). For this purpose, the DFT calculations were accomplished at both B3LYP and B3PW91 levels using 6-31g(d) basis set. The binding energy was increased by increasing number of H2PO4 moieties attached on the CNT with the most negative binding energy was measured for the carrier containing three phosphate groups...
July 8, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28719766/energy-expenditure-of-standing-compared-to-sitting-while-conducting-office-tasks
#2
Jill Burns, Cuisle Forde, Sara Dockrell
Objectives This study aimed to investigate the energy expenditure of common office-based tasks. The objectives were to: (a) test the classification of tasks as sedentary or light-intensity physical activity and (b) compare the energy expenditure of tasks under two postural conditions (sitting and standing). Background The sedentary nature of office work has been highlighted as a health risk, and strategies to reduce sedentary behavior at work have been developed. However, there is limited evidence to guide the utilization of sit-stand workstations in the workplace for metabolic health benefits...
July 1, 2017: Human Factors
https://www.readbyqxmd.com/read/28719672/the-effects-of-ice-on-methane-hydrate-nucleation-a-microcanonical-molecular-dynamics-study
#3
Zhengcai Zhang, Guang-Jun Guo
Although ice powders are widely used in gas hydrate formation experiments, the effects of ice on hydrate nucleation and what happens in the quasi-liquid layer of ice are still not well understood. Here, we used high-precision constant energy molecular dynamics simulations to study methane hydrate nucleation from vapor-liquid mixtures exposed to the basal, prismatic, and secondary prismatic planes of hexagonal ice (ice Ih). Although no significant difference is observed in hydrate nucleation processes for these different crystal planes, it is found, more interestingly, that methane hydrate can nucleate either on the ice surface heterogeneously or in the bulk solution phase homogeneously...
July 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28719655/protein-analysis-and-gene-expression-indicate-differential-vulnerability-of-iberian-fish-species-under-a-climate-change-scenario
#4
Tiago F Jesus, João M Moreno, Tiago Repolho, Alekos Athanasiadis, Rui Rosa, Vera M F Almeida-Val, Maria M Coelho
Current knowledge on the biological responses of freshwater fish under projected scenarios of climate change remains limited. Here, we examine differences in the protein configuration of two endemic Iberian freshwater fish species, Squalius carolitertii and the critically endangered S. torgalensis that inhabit in the Atlantic-type northern and in the Mediterranean-type southwestern regions, respectively. We performed protein structure modeling of fourteen genes linked to protein folding, energy metabolism, circadian rhythms and immune responses...
2017: PloS One
https://www.readbyqxmd.com/read/28719216/exploring-ultimate-water-capillary-evaporation-in-nanoscale-conduits
#5
Yinxiao Li, Mohammad Amin Alibakhshi, Yihong Zhao, Chuanhua Duan
Capillary evaporation in nanoscale conduits is an efficient heat/mass transfer strategy that has been widely utilized by both nature and mankind. Despite its broad impact, the ultimate transport limits of capillary evaporation in nanoscale conduits, governed by the evaporation/condensation kinetics at the liquid-vapor interface, have remained poorly understood. Here we report experimental study of the kinetic limits of water capillary evaporation in 2-D nanochannels using a novel hybrid channel design. Our results show that the kinetic-limited evaporation fluxes break down the limits predicated by the classical Hertz-Knudsen equation by an order of magnitude, reaching values up to 37...
July 18, 2017: Nano Letters
https://www.readbyqxmd.com/read/28719138/chevrel-phase-mo6-t8-t-s-se-as-electrodes-for-advanced-energy-storage
#6
REVIEW
Lin Mei, Jiantie Xu, Zengxi Wei, Huakun Liu, Yutao Li, Jianmin Ma, Shixue Dou
With the large-scale applications of electric vehicles in recent years, future batteries are required to be higher in power and possess higher energy densities, be more environmental friendly, and have longer cycling life, lower cost, and greater safety than current batteries. Therefore, to develop alternative electrode materials for advanced batteries is an important research direction. Recently, the Chevrel phase Mo6 T8 (T = S, Se) has attracted increasing attention as electrode candidate for advanced batteries, including monovalent (e...
July 18, 2017: Small
https://www.readbyqxmd.com/read/28719019/initial-testing-of-a-pixelated-silicon-detector-prototype-in-proton-therapy
#7
Andrew J Wroe, Grant McAuley, Anthony V Teran, Jeannie Wong, Marco Petasecca, Michael Lerch, James M Slater, Anatoly B Rozenfeld
As technology continues to develop, external beam radiation therapy is being employed, with increased conformity, to treat smaller targets. As this occurs, the dosimetry methods and tools employed to quantify these fields for treatment also have to evolve to provide increased spatial resolution. The team at the University of Wollongong has developed a pixelated silicon detector prototype known as the dose magnifying glass (DMG) for real-time small-field metrology. This device has been tested in photon fields and IMRT...
July 18, 2017: Journal of Applied Clinical Medical Physics
https://www.readbyqxmd.com/read/28718949/high-dosage-of-vitamin-d-regulates-the-energy-metabolism-and-increases-insulin-sensitivity-but-are-associated-with-high-levels-of-kidney-damage
#8
Rafael Calais Gaspar, José Diego Botezelli, Gabriel Keine Kuga, Vitor Rosetto Muñoz, Andressa Coope, Rodrigo Martins Pereira, Adelino Sanchez Ramos da Silva, Dennys Esper Cintra, Leandro Pereira de Moura, Eduardo Rochete Ropelle, José Rodrigo Pauli
Preclinical Research Metabolic disorders are responsible for more than 60% of all deaths worldwide. Calcitriol or vitamin D (vitD) deficiency is associated with a large proportion of these diseases is an important therapeutic target for exploration. This study evaluated the administration of high doses of vitD (3000 IU/kg) in obese and insulin-resistant C57BL/6J mice. Our results demonstrated that although high doses of vitD provided metabolic benefits such as increased insulin sensitivity and decreased body mass, this was associated with significant damage in the kidneys of obese mice...
July 18, 2017: Drug Development Research
https://www.readbyqxmd.com/read/28718930/genesis-1-1-a-hybrid-parallel-molecular-dynamics-simulator-with-enhanced-sampling-algorithms-on-multiple-computational-platforms
#9
Chigusa Kobayashi, Jaewoon Jung, Yasuhiro Matsunaga, Takaharu Mori, Tadashi Ando, Koichi Tamura, Motoshi Kamiya, Yuji Sugita
GENeralized-Ensemble SImulation System (GENESIS) is a software package for molecular dynamics (MD) simulation of biological systems. It is designed to extend limitations in system size and accessible time scale by adopting highly parallelized schemes and enhanced conformational sampling algorithms. In this new version, GENESIS 1.1, new functions and advanced algorithms have been added. The all-atom and coarse-grained potential energy functions used in AMBER and GROMACS packages now become available in addition to CHARMM energy functions...
July 18, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28718888/assessing-lung-function-using-contrast-enhanced-dual-energy-computed-tomography-for-potential-applications-in-radiation-therapy
#10
Andréanne Lapointe, Houda Bahig, Danis Blais, Hugo Bouchard, Édith Filion, Jean-François Carrier, Stéphane Bedwani
PURPOSE: There is an increasing interest in the evaluation of lung function from physiological images in radiation therapy treatment planning to reduce the extent of post-radiation toxicities. The purpose of this work is to retrieve reliable functional information from contrast-enhanced dualenergy computed tomography (DECT) for new applications in radiation therapy. The functional information obtained by DECT is also compared with other methods using single energy CT (SECT) and single-photon emission computed tomography (SPECT) with CT...
July 18, 2017: Medical Physics
https://www.readbyqxmd.com/read/28718780/biarticular-elements-as-a-contributor-to-energy-efficiency-biomechanical-review-and-application-in-bio-inspired-robotics
#11
Karen Junius, Marta Moltedo, Pierre Cherelle, Carlos David Rodriguez-Guerrero, Bram Vanderborght, Dirk Lefeber
Despite the increased interest in exoskeleton research in the last decades, not much progress has been made on the successful reduction of user effort. In humans, biarticular elements have been identied as one of the reasons for the energy economy of locomotion. This document gives an extensive literature overview concerning the function of biarticular mus- cles in human beings. The exact role of these muscles in the efficiency of human locomotion is reduced to three elementary functions: energy transfer towards distal joints, efficient control of output force direction and double joint actuation...
July 18, 2017: Bioinspiration & Biomimetics
https://www.readbyqxmd.com/read/28718681/partial-substitution-of-glucose-with-xylitol-suppressed-the-glycolysis-and-selectively-inhibited-the-proliferation-of-oral-cancer-cells
#12
Dunyaporn Trachootham, Pimjai Chingsuwanrote, Penkhair Yoosadiang, Duangsamon Mekkriangkrai, Tanapat Ratchawong, Nicha Buraphacheep, Siripa Kijanukul, Sumrit Saekhow, Orawan Pongpitchayadej, Kittituch Vongvachvasin, Paknisa Sittikornpaiboon, Siriporn Tuntipopipat
Suitable diet for cancer survivors remains an unresolved challenge. Increased glucose utilization is a hallmark of various cancers. Therefore, alternative carbohydrate supplying normal tissue but retarding cancer growth is needed. This study investigated the effect of sugar alcohols on the proliferation of oral cancer cells compared to nontransformed cells and explored the mechanism. Six oral squamous cell carcinoma (CAL-27, FaDu, SCC4, SCC9, SCC15, and SCC25) and one nontransformed oral keratinocyte (OKF6/TERT2) lines were cultured in media containing 1 mg/ml glucose and 5...
July 18, 2017: Nutrition and Cancer
https://www.readbyqxmd.com/read/28718670/dietary-inflammatory-index-and-renal-cell-carcinoma-risk-in-an-italian-case-control-study
#13
Nitin Shivappa, James R Hébert, Valentina Rosato, Marta Rossi, Maurizio Montella, Diego Serraino, Carlo La Vecchia
BACKGROUND: The relation between diet-related inflammation and renal cell carcinoma (RCC) has not been investigated. METHODS: In this study, we explored the association between the dietary inflammatory index (DII) and RCC in an Italian case-control study conducted between 1992 and 2004. Cases were 767 patients with incident, histologically confirmed RCC. Controls were 1534 subjects admitted to the same hospitals as cases for various acute, nonneoplastic conditions...
July 18, 2017: Nutrition and Cancer
https://www.readbyqxmd.com/read/28718514/aldehyde-dehydrogenase-1-a1-regulates-energy-metabolism-in-adipocytes-from-different-species
#14
Kefeng Yang, Christopher Adin, Qiwen Shen, Ly James Lee, Lianbo Yu, Paolo Fadda, Arpad Samogyi, Kathleen Ham, Lu Xu, Chen Gilor, Ouliana Ziouzenkova
BACKGROUND: Survival and longevity of xenotransplants depend on immune function and ability to integrate energy metabolism between cells from different species. However, mechanisms for interspecies cross talk in energy metabolism are not well understood. White adipose tissue stores energy and is capable of mobilization and dissipation of energy as heat (thermogenesis) by adipocytes expressing uncoupling protein 1 (Ucp1). Both pathways are under the control of vitamin A metabolizing enzymes...
July 17, 2017: Xenotransplantation
https://www.readbyqxmd.com/read/28718472/unveiling-the-irreversible-performance-degradation-of-organo-inorganic-halide-perovskite-films-and-solar-cells-during-heating-and-cooling-processes
#15
Abdullah Al Mamun, Tanzila Tasnim Ava, Hye Ryung Byun, Hyeon Jun Jeong, Mun Seok Jeong, Loi Nguyen, Christine Gausin, Gon Namkoong
While organo-inorganic halide perovskite solar cells show great potential to meet future energy needs, their thermal instability raises serious questions about their commercialization viability. At present, the stability of perovskite solar cells has been studied under various environmental conditions including humidity and temperature. Nonetheless, understanding of the performance of CH3NH3PbI3-xClx perovskite solar cells is limited. This study reports the irreversible performance degradation of CH3NH3PbI3-xClx perovskite solar cells during the heating and cooling processes under AM 1...
July 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28718470/co2-activation-and-dissociation-on-the-low-miller-index-surfaces-of-pure-and-ni-coated-iron-metal-a-dft-study
#16
Caroline R Kwawu, Richard Tia, Evans Adei, Nelson Y Dzade, C Richard A Catlow, Nora H de Leeuw
We have used spin polarized density functional theory calculations to perform extensive mechanistic studies of CO2 dissociation into CO and O on the clean Fe(100), (110) and (111) surfaces and on the same surfaces coated by a monolayer of nickel. CO2 chemisorbs on all three bare facets and binds more strongly to the stepped (111) surface than on the open flat (100) and close-packed (110) surfaces, with adsorption energies of -88.7 kJ mol(-1), -70.8 kJ mol(-1) and -116.8 kJ mol(-1) on the (100), (110) and (111) facets, respectively...
July 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28718469/characterization-of-the-thermal-thermal-oxidative-stability-of-fluorinated-graphene-with-various-structures
#17
Wenchuan Lai, Dazhou Xu, Xu Wang, Zaoming Wang, Yang Liu, Xiaojiao Zhang, Xiangyang Liu
Considering practical applications, the thermal/thermal oxidative stability of fluorinated graphene should be given sufficient attention. Herein, X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FT-IR) were used to investigate in detail the differences in the thermal stabilities of two types of fluorinated samples, fluorinated graphene (FG) and fluorinated porous graphene (FPG) with various fluorine contents, respectively, as well as the reasons for these differences...
July 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28718178/body-composition-is-different-after-surgical-or-pharmacological-remission-of-cushing-s-syndrome-a-prospective-dxa-study
#18
Filippo Ceccato, Michela Boccato, Marialuisa Zilio, Mattia Barbot, Anna Chiara Frigo, Giovanni Luisetto, Marco Boscaro, Carla Scaroni, Valentina Camozzi
Patients with active Cushing's syndrome (CS) exhibit an increase of the visceral adipose tissue, increasing the risk of cardiovascular events. Until now, it is not yet clear whether remission of CS leads to a normalization of body composition, or if different strategies to control hypercortisolism could result in a different clinical outcome concerning adipose tissue distribution. Therefore, we analyzed body composition changes using dual-energy X-ray absorptiometry (DXA) in patients with CS in a prospective and controlled study...
July 17, 2017: Hormone and Metabolic Research, Hormon- und Stoffwechselforschung, Hormones et Métabolisme
https://www.readbyqxmd.com/read/28718074/advances-in-imaging-instrumentation-for-nuclear-cardiology
#19
Jae Sung Lee, Gil Kovalski, Tali Sharir, Dong Soo Lee
Advances in imaging instrumentation and technology have greatly contributed to nuclear cardiology. Dedicated cardiac SPECT cameras incorporating novel, highly efficient detector, collimator, and system designs have emerged with the expansion of nuclear cardiology. Solid-state radiation detectors incorporating cadmium zinc telluride, which directly convert radiation to electrical signals and yield improved energy resolution and spatial resolution and enhanced count sensitivity geometries, are increasingly gaining favor as the detector of choice for application in dedicated cardiac SPECT systems...
July 17, 2017: Journal of Nuclear Cardiology: Official Publication of the American Society of Nuclear Cardiology
https://www.readbyqxmd.com/read/28718067/theoretical-and-experimental-in-vivo-study-of-antioxidant-activity-of-crocin-in-order-to-propose-novel-derivatives-with-higher-antioxidant-activity-and-their-delivery-via-nanotubes-and-nanocones
#20
Houshang Najafi, Zeynab Mohamadi Yarijani, Meysam Najafi
In this study, the antioxidant activity of crocin via experimental and theoretical methods was investigated. In order to induce oxidative stress, 30-min renal ischemia and 24-h reperfusion were used in male Wistar rats. Oxidative stress was assessed by measuring tissue malondialdehyde (MDA) and ferric reducing/antioxidant power (FRAP). The results showed that following ischemia/reperfusion, the level of MDA was increased and FRAP decreased. Both of these changes were alleviated by crocin administration. The bond dissociation enthalpy and ionization potential values as enthalpies of mechanism of antioxidant activity of crocin were calculated by density functional theory method...
July 17, 2017: Inflammation
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