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https://www.readbyqxmd.com/read/28728032/tunable-fluorescence-quenching-near-the-graphene-aqueous-interface
#1
Aaron W Chen, Alejandro L Briseno, Maria M Santore
With increased interest in graphene-based sensors for biomolecules and other targets, we investigated the impact of ionic strength on the steady-state emissions from fluorescein labels on proteins adsorbing on pristine CVD (chemical vapor deposited)-graphene on a silica support. Using the model system of fluorescein-tagged fibrinogen we demonstrated that, for fluorescein tags on adsorbed fibrinogen, emission intensity was very sensitive to the salt concentration. This behavior was not seen for fluorescein-tagged fibrinogen in solution...
July 6, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28728029/peroxidase-mimetic-activity-of-fe3o4-nanoparticle-prepared-based-on-magnetic-hydrogels-for-hydrogen-peroxide-and-glucose-detection
#2
Shasha Song, Yang Liu, Aixin Song, Zengdian Zhao, Hongsheng Lu, Jingcheng Hao
Stimuli-response magnetic hydrogels were prepared in the mixtures of magnetic surfactants, (CnTAFB(C), n=12, 14, 16), and chiral amphiphiles, sodium cholate (SC). The gelation behavior of CnTAFB(C)/SC were studied in detail. The results proved that the hydrophobicity of surfactants and the hydration radius (Rh) of anions played a vital role in the gelation process. The microstructure of the hydrogels were determined to be three-dimensional network of fibrous aggregates. The formation of the hydrogel fibrils was considered to be mainly driven by a delicate balance of multiple non-covalent interactions including hydrophobic interaction, electrostatic interaction, hydrogen bonding, van der Waals force, and the steric effect of SC molecule...
July 10, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28727528/racial-ethnic-and-socioeconomic-disparities-in-hydration-status-among-us-adults-and-the-role-of-tap-water-and-other-beverage-intake
#3
Carolyn J Brooks, Steven L Gortmaker, Michael W Long, Angie L Cradock, Erica L Kenney
OBJECTIVES: To evaluate whether differences in tap water and other beverage intake explain differences in inadequate hydration among US adults by race/ethnicity and income. METHODS: We estimated the prevalence of inadequate hydration (urine osmolality ≥ 800 mOsm/kg) by race/ethnicity and income of 8258 participants aged 20 to 74 years in the 2009 to 2012 National Health and Nutrition Examination Survey. Using multivariable regression models, we estimated associations between demographic variables, tap water intake, and inadequate hydration...
July 20, 2017: American Journal of Public Health
https://www.readbyqxmd.com/read/28727237/pre-hydrated-sterile-acellular-dermal-matrix-allograft-in-breast-reconstruction-review-of-a-single-unit-s-experience
#4
Justin James, Brigid Corrigan, Christobel Saunders
BACKGROUND: The acellular dermal matrix (Flex HD) (FHD) became available for use in Western Australia in 2014 to aid prosthetic breast reconstruction and this descriptive study aims to review and discuss a single institution's experience since its introduction. METHODS: By retrospective case note, review data were collected for all patients who underwent prosthetic breast reconstruction with the aid of FHD between January 2014 and August 2015 in our institution...
July 20, 2017: ANZ Journal of Surgery
https://www.readbyqxmd.com/read/28726907/the-first-water-coordination-sphere-of-lanthanide-iii-motexafins-ln-motex-2-ln-la-gd-lu-and-its-effects-on-structures-reduction-potentials-and-uv-vis-absorption-spectra-theoretical-studies
#5
Xiaoyan Cao, Norah Heinz, Jun Zhang, Michael Dolg
Density functional calculations have been performed to study selected hydrated lanthanide(iii) motexafins (Ln-Motex(2+), Ln = La, Gd, Lu) by using energy-consistent 4f-in-core lanthanide pseudopotentials to include the major relativistic effects due to the heavy metals. The maximum number (n) of water molecules bound strongly to [Ln-Motex](2+) (Ln = La, Gd, Lu) was determined to be 6 by calculating the change of the Gibbs energies for the reactions [Ln-Motex(H2O)n](2+) + H2O → [Ln-Motex(H2O)n+1](2+). The number of water molecules coordinated directly to Ln(3+) was found to be 3 for La, and 2 for Gd and Lu...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28726881/effects-of-co2-adsorption-on-proton-migration-on-a-hydrated-zro2-surface-an-ab-initio-molecular-dynamics-study
#6
Ryuhei Sato, Yasushi Shibuta, Fuyuki Shimojo, Shu Yamaguchi
Hydration reactions on a carbonate-terminated cubic ZrO2(110) surface were analyzed using ab initio molecular dynamics (AIMD) simulations. After hydration reactions, carbonates were still present on the surface at 500 K. However, these carbonates are very weak conjugate bases and only act as steric hindrance in proton hopping processes between acidic chemisorbed H2O molecules (Zr-OH2) and monodentate hydroxyl groups (Zr-OH(-)). Similar to a carbonate-free hydrated surface, Zr-OH2, Zr-OH(-), and polydentate hydroxyl groups ([double bond splayed left]OH(+)) were observed, while the ratio of acidic Zr-OH2 was significantly larger than that on the carbonate-free hydrated surface...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28726859/surface-hydration-drives-rapid-water-imbibition-into-strongly-hydrophilic-nanopores
#7
Chao Fang, Rui Qiao
The imbibition of liquids into nanopores plays a critical role in numerous applications, and most prior studies focused on imbibition due to capillary flows. Here we report molecular simulations of the imbibition of water into single mica nanopores filled with pressurized gas. We show that, while capillary flow is suppressed by the high gas pressure, water is imbibed into the nanopore through surface hydration in the form of monolayer liquid films. As the imbibition front moves, the water film behind it gradually densifies...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28726750/properties-of-cement-mortar-and-ultra-high-strength-concrete-incorporating-graphene-oxide-nanosheets
#8
Liulei Lu, Dong Ouyang
In this work, the effect of graphene oxide nanosheet (GONS) additives on the properties of cement mortar and ultra-high strength concrete (UHSC) is reported. The resulting GONS-cement composites were easy to prepare and exhibited excellent mechanical properties. However, their fluidity decreased with increasing GONS content. The UHSC specimens were prepared with various amounts of GONSs (0-0.03% by weight of cement). Results indicated that using 0.01% by weight of cement GONSs caused a 7.82% in compressive strength after 28 days of curing...
July 20, 2017: Nanomaterials
https://www.readbyqxmd.com/read/28725307/acute-pancreatitis-secondary-to-severe-hypertriglyceridemia-management-of-severe-hypertriglyceridemia-in-emergency-setting
#9
Ahmad Chaudhary, Umair Iqbal, Hafsa Anwar, Hafiz Umair Siddiqui, Madiha Alvi
Hypertriglyceridemia (HTG) is the third most common cause of acute pancreatitis (AP). The incidence of AP is around 10-20% with levels > 2,000 mg/dL. We present here a case of a 44-year-old male with history of uncontrolled diabetes mellitus and HTG admitted with severe abdominal pain. Labs revealed elevated lipase and amylase. CT of abdomen with contrast showed AP. He was found to have a triglyceride (TG) level of 6,672 mg/dL. Besides conventional treatment for AP with intravenous (IV) hydration, he was started on IV regular insulin along with dextrose saline...
June 2017: Gastroenterology Research
https://www.readbyqxmd.com/read/28725006/diffusive-displacive-deformations-and-local-phase-transformation-govern-the-mechanics-of-layered-crystals-the-case-study-of-tobermorite
#10
Lei Tao, Rouzbeh Shahsavari
Understanding the deformation mechanisms underlying the mechanical behavior of materials is the key to fundamental and engineering advances in materials' performance. Herein, we focus on crystalline calcium-silicate-hydrates (C-S-H) as a model system with applications in cementitious materials, bone-tissue engineering, drug delivery and refractory materials, and use molecular dynamics simulation to investigate its loading geometry dependent mechanical properties. By comparing various conventional (e.g. shear, compression and tension) and nano-indentation loading geometries, our findings demonstrate that the former loading leads to size-independent mechanical properties while the latter results in size-dependent mechanical properties at the nanometer scales...
July 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28724285/elucidating-potential-energy-surfaces-for-singlet-o2-reactions-with-protonated-deprotonated-and-di-deprotonated-cystine-using-a-combination-of-approximately-spin-projected-density-functional-theory-and-guided-ion-beam-mass-spectrometry
#11
Wenchao Lu, I-Hsien Midas Tsai, Yan Sun, Wenjing Zhou, Jianbo Liu
The reactivity of cystine towards electronically excited singlet O2 (a(1)Δg) has been long debated, despite the fact that most organic disulfides are susceptible to oxidation by singlet O2. We report a combined experimental and computational study on reactions of singlet O2 with gas-phase cystine at different ionization and hydration states, aimed to determine reaction outcomes, mechanisms and potential energy surfaces. Ion-molecule collisions of protonated and di-deprotonated cystine ions with (1)O2, in both the absence and the presence of a water ligand, were measured over a center-of-mass collision energy (Ecol) range from 0...
July 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28723852/effects-of-a-skin-barrier-cream-on-management-of-incontinence-associated-dermatitis-in-older-women-a-cluster-randomized-controlled-trial
#12
Yuka Kon, Yoshie Ichikawa-Shigeta, Terumi Iuchi, Yukari Nakajima, Gojiro Nakagami, Keiko Tabata, Hiromi Sanada, Junko Sugama
PURPOSE: The purpose of this study was to examine the effects of a skin barrier cream with moisturization and skin-protectant characteristics for improving the severity of incontinence-associated dermatitis (IAD) pertaining to the skin physiology and appearance. We measured the following outcomes: (1) skin physiological characteristics indicating skin protection and enhancement of the skin's moisture barrier (stratum corneum hydration, dermis hydration level, transepidermal water loss, and skin pH); and (2) changes in skin appearance (the degree of erythema and pigmentation, and the sulcus cutis condition)...
July 18, 2017: Journal of Wound, Ostomy, and Continence Nursing
https://www.readbyqxmd.com/read/28723592/effects-of-near-infrared-radiation-on-dna-dls-and-atr-ftir-study
#13
Katarzyna Szymborska-Małek, Małgorzata Komorowska, Marlena Gąsior-Głogowska
We presume that the primary effect of Near Infrared (NIR) radiation on aqueous solutions of biological molecules concerns modification of hydrogen bonded structures mainly the global and the hydration shell water molecules. Since water has a significant influence on the DNA structure, we expect that the thermal stability of DNA could be modified by NIR radiation. The herring sperm DNA was exposed to NIR radiation (700-1100nm) for 5, 10, and 20min periods. The temperature dependent infrared measurements were done for the thin films formed on the diamond ATR crystal from evaporated DNA solutions exposed and unexposed to NIR radiation...
July 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28723250/application-of-molecular-dynamic-simulation-to-study-food-proteins-a-review
#14
Ashutosh Singh, Sai Kranthi Vanga, Valerie Orsat, Vijaya Raghavan
This review presents an overview of the application of molecular dynamic simulation to study food proteins. Processing of food using thermal, chemical, radiation, electromagnetic and mechanical techniques subject its macromolecular bio-components such as carbohydrates and proteins to extreme heat, ionic strength, pH and mechanical deformation. These processing factors affect protein's functional properties such as emulsification, dough formation, gelation, etc. which are associated with changes in their structure...
July 19, 2017: Critical Reviews in Food Science and Nutrition
https://www.readbyqxmd.com/read/28723223/free-energy-of-binding-and-mechanism-of-interaction-for-the-meevd-tpr2a-peptide-protein-complex
#15
Mauro Lapelosa
The association between the MEEVD C-terminal peptide from the heat shock protein 90 (Hsp90) and tetratricopeptide repeat A (TPR2A) domain of the heat shock organizing protein (Hop) is a useful prototype to study the fundamental molecular details about the Hop-Hsp90 interaction. We study here the mechanism of binding/unbinding, and compute the standard binding free energy and potential of mean force for the association of the MEEVD peptide to the TPR2A domain using the Adaptive Biasing Force (ABF) methodology...
July 19, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28723154/interruption-of-hydrogen-bonding-networks-of-water-in-carbon-nanotubes-due-to-strong-hydration-shell-formation
#16
Yoshifumi Oya, Kenji Hata, Tomonori Ohba
We present the structures of NaCl aqueous solution in carbon nanotubes with diameters of 1, 2, and 3 nm based on an analysis performed using X-ray diffraction and canonical ensemble Monte Carlo simulations. Anomalously longer nearest-neighbor distances were observed in the electrolyte for the 1-nm-diameter carbon nanotubes; in contrast, in the 2 and 3 nm carbon nanotubes, the nearest-neighbor distances were shorter than those in the bulk electrolyte. We also observed similar properties for water in carbon nanotubes, which was expected because the main component of the electrolyte was water...
July 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28722787/synthesis-and-direct-sintering-of-nanosized-miv-miii-o2-x-hydrated-oxides-as-electrolyte-ceramics
#17
Nicolas Clavier, Yanis Cherkaski, Julien Martinez, Sophie Costis, Théo Cordara, Fabienne Audubert, Laurent Brissonneau, Nicolas Dacheux
Highly reactive and nanosized Th1-xYxO2-x/2 or Ce0.8Ln0.2O1.9 mixed oxides were prepared through the initial precipitation of hydroxide precursors which were further dried under vacuum. Whatever the chemical system investigated, the characterization of the powdered samples evidenced a rapid aging process leading to hydrated oxides. The thermal behavior of these samples was further investigated and first showed a two-step dehydration process, with the successive departure of adsorbed then constitutive water, both yielding a drastic drop of the powders reactivity (i...
July 19, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28722416/character-of-localization-and-microenvironment-of-the-solvatochromic-reichardt-s-betaine-dye-in-sds-and-ctab-micelles-md-simulation-study
#18
Vladimir S Farafonov, Alexander V Lebed, Nikolay O Mchedlov-Petrossyan
The problem of using the surfactant micellar aqueous solutions as reaction media centers on estimating the polarity of the micellar pseudophase. The most popular approach is the utilization of solvatochromic dyes. Among the last, the strongest ones are the dipolar pyridinium N-phenolate dyes. The complication of such approach, however, consists in the non-uniform character of the environment of the indicator fixed in the micellar pseudophase. The aim of this study is to reveal the character of localization and orientation of the standard solvatochromic pyridinium N-phenolate dye, 4-(2,4,6-triphenylpyridinium-1-yl)-2,6-diphenylphenolate, the so-called Reichardt's dye, within the micellar pseudophase of an anionic (sodium n-dodecyl sulfate, SDS) and cationic (cetyltrimethylammonium bromide, CTAB) surfactants using MD simulations...
July 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28722076/the-anomalous-halogen-bonding-interactions-between-chlorine-and-bromine-with-water-in-clathrate-hydrates
#19
Hana Dureckova, Tom K Woo, Konstantin A Udachin, John A Ripmeester, Saman Alavi
Clathrate hydrate phases of Cl2 and Br2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these structures, the water oxygen-halogen atom distances are determined to be shorter than the sum of the van der Waals radii, which indicates the action of some type of non-covalent interaction between the dihalogens and water molecules. Given that in the hydrate phases both lone pairs of each water oxygen atom are engaged in hydrogen bonding with other water molecules of the lattice, the nature of the oxygen-halogen interactions may not be the standard halogen bonds characterized recently in the solid state materials and enzyme-substrate compounds...
July 19, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28721631/1-trichloromethyl-1-2-3-4-tetrahydro-beta-carboline-taclo-alters-cell-cycle-progression-in-human-neuroblastoma-cell-lines
#20
Rakesh Kumar Sharma, Eduardo Candelario-Jalil, Doris Feineis, Gerhard Bringmann, Bernd L Fiebich, Ravi Shankar Akundi
1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline, abbreviated as TaClo, is an endogenous neurotoxin capable of formation in the brain through the condensation of neuronal tryptamine with ingested exogenous toxins such as trichloroethylene or chloral hydrate. Due to its structural resemblance to 1-methyl-4-phenyl-1,2,5,6-tetrahydropyridine (MPTP), and similar ability to inhibit mitochondrial complex I, TaClo has been implicated in the etiology of Parkinson's disease. Previous studies have shown the cytotoxicity of TaClo in various cell culture models...
July 18, 2017: Neurotoxicity Research
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