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https://www.readbyqxmd.com/read/28212034/observation-of-the-global-dynamic-collectivity-of-a-hydration-shell-around-apomyoglobin
#1
Yangzhong Qin, Luyuan Zhang, Lijuan Wang, Dongping Zhong
Protein surface hydration is critical to its structural properties and biological activities. However, it is still unknown whether the hydration shell is intrinsically connected and how its fluctuations dynamically interact with protein motions. Here, by selecting five site-specific locations with distinctly different environments around apomyoglobin surface, we used a tryptophan scan with femtosecond fluorescence spectroscopy and simultaneously detected hydration-water dynamics and tryptophan sidechain relaxations with temperature dependence...
February 17, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28208081/molecular-synergy-in-biolubrication-the-role-of-cartilage-oligomeric-matrix-protein-comp-in-surface-structuring-of-lubricin
#2
Akanksha Raj, Min Wang, Chao Liu, Liaquat Ali, Niclas G Karlsson, Per M Claesson, Andra Dėdinaitė
HYPOTHESIS: Synovial surfaces are lubricated by biomolecular aggregates that act in synergy, and lubricin is one key biolubricant. Its molecular structure allows extensive hydration and this is conducive to its lubrication performance. However, in order to fullfil its lubrication function it needs to be anchored and oriented on the surface in a proper way. We suggest that cartilage oligomeric matrix protein (COMP) is one of the biomolecules that promotes anchoring of lubricin in a fashion that facilitates lubrication...
February 8, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28205100/efficacy-of-oral-supplemental-hydration-for-the-prevention-of-contrast-induced-nephropathy-in-rats
#3
Tamaki Matsunami, Kazuo Hino, Rie Dosho, Sho Miyatake, Goro Ebisu, Ryohei Kuwatsuru
PURPOSE: To compare oral rehydration solution (ORS) with saline infusion for preventing contrast-induced nephropathy (CIN) in a rat model. MATERIALS AND METHODS: Adult male Sprague-Dawley rats (310-360 g) received intravenous indomethacin (10 mg/kg), N (G)-nitro-L-arginine methyl ester (10 mg/kg), and iohexol (10 mL/kg) to induce acute contrast-induced renal injury (CIN group); control rats received saline only. For hydration, rats received either continuous infusion (20 mL/kg/h) of saline or three oral doses (20 mL/kg each) of ORS...
February 15, 2017: Japanese Journal of Radiology
https://www.readbyqxmd.com/read/28199083/shape-memory-hydrogels-evolution-of-structural-principles-to-enable-shape-switching-of-hydrophilic-polymer-networks
#4
Candy Löwenberg, Maria Balk, Christian Wischke, Marc Behl, Andreas Lendlein
The ability of hydrophilic chain segments in polymer networks to strongly interact with water allows the volumetric expansion of the material and formation of a hydrogel. When polymer chain segments undergo reversible hydration depending on environmental conditions, smart hydrogels can be realized, which are able to shrink/swell and thus alter their volume on demand. In contrast, implementing the capacity of hydrogels to switch their shape rather than volume demands more sophisticated chemical approaches and structural concepts...
February 15, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28193045/contribution-of-ribonucleic-acid-rna-to-the-fourier-transform-infrared-ftir-spectrum-of-eukaryotic-cells
#5
Paolo Zucchiatti, Elisa Mitri, Saša Kenig, Fulvio Billè, George Kourousias, Diana Eva Bedolla, Lisa Vaccari
We report on an optimized protocol for the digestion of cellular RNA, which minimally affects the cell membrane integrity, maintaining substantially unaltered the vibrational contributions of the other cellular macromolecules. The design of this protocol allowed us to collect the first Fourier transform infrared (FTIR) spectra of intact hydrated B16 mouse melanoma cells deprived of RNA and to highlight the in-cell diagnostic spectral features of it. Complementing the cellular results with the FTIR analysis of extracted RNA, ds-DNA, ss-cDNA and isolated nuclei, we verified that the spectral component centered at ∼1220 cm(-1) is a good qualitative and semiquantitative marker of cellular DNA, since it is minimally affected by cellular RNA removal...
December 20, 2016: Analytical Chemistry
https://www.readbyqxmd.com/read/28186691/balancing-microbial-and-mammalian-cell-functions-on-calcium-ion-modified-implant-surfaces
#6
Eduardo Anitua, Ricardo Tejero, Miguel Ángel Pacha-Olivenza, María Coronada Fernández-Calderón, María Delgado-Rastrollo, Mari Mar Zalduendo, María Troya, Ciro Pérez-Giraldo, María Luisa González-Martín
Implant integration is a complex process mediated by the interaction of the implant surface with the surrounding ions, proteins, bacteria, and tissue cells. Although most implants achieve long-term bone-tissue integration, preventing pervasive implant-centered infections demands further advances, particularly in surfaces design. In this work, we analyzed classical microrough implant surfaces (only acid etched, AE; sandblasted then acid etching, SB + AE) and a new calcium-ion-modified implant surface (AE + Ca) in terms of soft- and hard-tissue integration, bacterial adhesion, and biofilm formation...
February 10, 2017: Journal of Biomedical Materials Research. Part B, Applied Biomaterials
https://www.readbyqxmd.com/read/28186490/atomistic-simulations-indicate-the-c-subunit-ring-of-the-f1fo-atp-synthase-is-not-the-mitochondrial-permeability-transition-pore
#7
Wenchang Zhou, Fabrizio Marinelli, Corrine Nief, José D Faraldo-Gómez
Pathological metabolic conditions such as ischemia induce the rupture of the mitochondrial envelope and the release of pro-apoptotic proteins, leading to cell death. At the onset of this process, the inner mitochondrial membrane becomes depolarized and permeable to osmolytes, due to the opening of a non-selective protein channel of unknown molecular identity. A recent study purports that this channel, referred to as Mitochondrial Permeability Transition Pore (MPTP), is the lumen of the c-subunit ring of the ATP synthase, upon dissociation from the catalytic domain...
February 10, 2017: ELife
https://www.readbyqxmd.com/read/28165225/initial-substrate-binding-of-%C3%AE-secretase-the-role-of-substrate-flexibility
#8
Shu Li, Wan Zhang, Wei Han
γ-Secretase cleaves transmembrane domains (TMD) of amyloid precursor protein (APP), producing pathologically relevant amyloid-β proteins. Initial substrate binding represents a key step of the γ-secretase cleavage whose mechanism remains elusive. Through long timescale coarse-grained and atomic simulations, we have found that the APP TMD can bind to the catalytic subunit presenilin 1 (PS1) on an extended surface covering PS1's TMD2/6/9 and PAL motif that are all known to be essential for enzymatic activity...
February 6, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28161505/albumin-mediated-deposition-of-bone-like-apatite-onto-nano-sized-surfaces-effect-of-surface-reactivity-and-interfacial-hydration
#9
Noelia L D'Elia, Noel Gravina, Juan M Ruso, Jose L Marco-Brown, Juan M Sieben, Paula V Messina
The bioactivity of an implant is displayed on its ability to induce heterogeneous nucleation of biogenic apatite onto its surface upon immersion in body fluids; forming, through this layer, a stable bond with the host tissue. The present article evaluates the bioactivity of different nanostructured substrates based on synthetic hydroxyapatite (HA) and titania (TiO2) nanoparticles, where we extend the debate regarding the selective roles played by the presence of albumin on the biogenic apatite coating evolution...
January 16, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28155937/controlled-aggregation-and-cell-uptake-of-thermoresponsive-polyoxazoline-grafted-superparamagnetic-iron-oxide-nanoparticles
#10
Steffen Kurzhals, Noga Gal, Ronald Zirbs, Erik Reimhult
Hydrophilic polymer-coated iron oxide nanoparticles are potential materials for a plethora of applications in the biotechnological field. Typical such polymers, e.g. dextran or poly(ethylene glycol), lack the ability to tailor the biological response to an environmental trigger, while common responsive polymers such as poly(N-isopropylacrylamide) or poly(acrylic acid) are not suitable for biomedical applications. We present the synthesis and characterization of superparamagnetic iron oxide nanoparticles with thermoresponsive polyoxazoline brushes grafted at unprecedented density using nitrodopamine anchor chemistry...
February 3, 2017: Nanoscale
https://www.readbyqxmd.com/read/28149990/trimethylamine-n-oxide-its-hydration-structure-surface-activity-and-biological-function-viewed-by-vibrational-spectroscopy-and-molecular-dynamics-simulations
#11
Tatsuhiko Ohto, Johannes Hunger, Ellen H G Backus, Wataru Mizukami, Mischa Bonn, Yuki Nagata
The osmolyte molecule trimethylamine-N-oxide (TMAO) stabilizes the structure of proteins. As functional proteins are generally found in aqueous solutions, an important aspect of this stabilization is the interaction of TMAO with water. Here, we review, using vibrational spectroscopy and molecular dynamics simulations, recent studies on the structure and dynamics of TMAO with its surrounding water molecules. This article ends with an outlook on the open questions on TMAO-protein and TMAO-urea interactions in aqueous environments...
February 2, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28138305/physical-and-chemical-characteristics-of-mucin-secreted-by-pseudomyxoma-peritonei-pmp
#12
Krishna Pillai, Javed Akhter, Ahmed Mekkawy, Terence C Chua, David L Morris
Background: Pseudomyxoma peritonei (PMP) is a rare disease with excess intraperitoneal mucin secretion. Treatment involves laparotomy, cytoreduction and chemotherapy that is very invasive with patients often acquiring numerous compromises. Hence a mucolytic comprising of bromelain and N-acetyl cystein has been developed to solubilise mucin in situ for removal by catherization. Owing to differences in mucin appearance and hardness, dissolution varies. Therefore the current study investigates the inter-mucin physical and chemical characteristics, in order to reformulate an effective mucolytic for all mucin...
2017: International Journal of Medical Sciences
https://www.readbyqxmd.com/read/28135787/sirna-loaded-liposomes-inhibition-of-encystment-of-acanthamoeba-and-toxicity-on-the-eye-surface
#13
Kathrin Faber, Giovanni K Zorzi, Nathaly T Brazil, Marilise B Rott, Helder F Teixeira
: Current treatments for Acanthamoeba keratitis are unspecific. Due to the presence of the resilient cyst form of the parasite, the infection is persistent. Silencing the key protein of cyst formation, glycogen phosphorylase, has shown potential for reducing encystment processes of the Acanthamoeba trophozoite. However a suitable carrier to protect and deliver siRNA sequences is still needed. DOTAP: DOPE:DSPE-PEG liposomes were prepared by three different techniques and used to associate a therapeutic siRNA sequence...
January 30, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28132510/studying-water-hydrogen-bonding-network-near-the-lipid-multibilayer-with-multiple-ir-probes
#14
Achintya Kundu, Pramod Kumar Verma, Jeong-Hyon Ha, Minhaeng Cho
A critical difference between living and nonliving is the existence of cell membranes, and hydration of membrane surface is a prerequisite for structural stability and various functions such as absorption/desorption of drugs, proteins, and ions. Therefore, a molecular level understanding of water structure and dynamics near the membrane is important to perceive the role of water in such a biologically relevant environment. In our recent paper [ J. Phys. Chem. Lett. 2016 , 7 , 741 ] on the IR pump-probe study of the OD stretch mode of HDO near lipid multibilayers, we have observed two different vibrational lifetime components of OD stretch mode in the phospholipid multibilayer systems...
February 9, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28129348/frequency-dependent-non-thermal-effects-of-oscillating-electric-fields-in-the-microwave-region-on-the-properties-of-a-solvated-lysozyme-system-a-molecular-dynamics-study
#15
Stelios Floros, Maria Liakopoulou-Kyriakides, Kostas Karatasos, Georgios E Papadopoulos
The use of microwaves in every day's applications raises issues regarding the non thermal biological effects of microwaves. In this work we employ molecular dynamics simulations to advance further the dielectric studies of protein solutions in the case of lysozyme, taking into consideration possible frequency dependent changes in the structural and dynamic properties of the system upon application of electric field in the microwave region. The obtained dielectric spectra are identical with those derived in our previous work using the Fröhlich-Kirkwood approach in the framework of the linear response theory...
2017: PloS One
https://www.readbyqxmd.com/read/28129234/inflammation-relates-to-resistance-training-induced-hypertrophy-in-elderly-patients
#16
Kristoffer Larsen Norheim, Christopher Kjaer Cullum, Jesper Loevind Andersen, Michael Kjaer, Anders Karlsen
PURPOSE: Aging is associated with a gradual loss of muscle mass, which some have suggested to be accelerated by short periods of muscle disuse due to medical illness. We investigated the effect of hospitalization on skeletal muscle mass in acutely ill geriatric patients with focus on the relationship between systemic inflammatory marker C-reactive protein (CRP) and changes in muscle mass, as well as the influence of resistance training upon muscle mass. METHOD: Unilateral leg press resistance exercise was conducted daily during the hospital period...
January 26, 2017: Medicine and Science in Sports and Exercise
https://www.readbyqxmd.com/read/28126906/optimizing-the-restoration-and-maintenance-of-fluid-balance-after-exercise-induced-dehydration
#17
Gethin Hywel Evans, Lewis John James, Susan Margaret Shirreffs, Ronald J Maughan
Hypohydration, or a body water deficit, is a common occurrence in athletes and recreational exercisers following the completion of an exercise session. For those who will undertake a further exercise session that day, it is important to replace water losses to avoid beginning the next exercise session hypohydrated and the potential detrimental effects on performance that this may lead to. The aim of this review is to provide an overview of the research related to factors that may affect post-exercise rehydration...
January 26, 2017: Journal of Applied Physiology
https://www.readbyqxmd.com/read/28120339/update-on-phosphate-and-charged-post-translationally-modified-amino-acid-parameters-in-the-gromos-force-field
#18
Christian Margreitter, Maria M Reif, Chris Oostenbrink
In this study, we propose newly derived parameters for phosphate ions in the context of the GROMOS force field parameter sets. The non-bonded parameters used up to now lead to a hydration free energy, which renders the dihydrogen phosphate ion too hydrophobic when compared to experimentally derived values, making a reparametrization of the phosphate moiety necessary. Phosphate species are of great importance in biomolecular simulations not only because of their crucial role in the backbone of nucleic acids but also as they represent one of the most important types of post-translational modifications to protein side-chains and are an integral part in many lipids...
January 24, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28117566/poly-oligo-ethylene-glycol-methyl-ether-methacrylate-brushes-on-high-%C3%AE%C2%BA-metal-oxide-dielectric-surfaces-for-bioelectrical-environments
#19
Daniel Y Joh, Felicia McGuire, Roozbeh Abedini-Nassab, Joseph B Andrews, Rohan K Achar, Zackary Zimmers, Darush Mozhdehi, Rebecca Blair, Faris Albarghouthi, William Oles, Jacob Richter, Cassio M Fontes, Angus M Hucknall, Benjamin B Yellen, Aaron D Franklin, Ashutosh Chilkoti
Advances in electronics and life sciences have generated interest in "lab-on-a-chip" systems utilizing complementary metal oxide semiconductor (CMOS) circuitry for low-power, portable, and cost-effective biosensing platforms. Here, we present a simple and reliable approach for coating "high-κ" metal oxide dielectric materials with "non-fouling" (protein- and cell-resistant) poly(oligo(ethylene glycol) methyl ether methacrylate (POEGMA) polymer brushes as biointerfacial coatings to improve their relevance for biosensing applications utilizing advanced electronic components...
February 2, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28116386/tmao-and-urea-in-the-hydration-shell-of-the-protein-snase
#20
Nikolai Smolin, Vladimir P Voloshin, Alexey V Anikeenko, Alfons Geiger, Roland Winter, Nikolai N Medvedev
We performed all-atom MD simulations of the protein SNase in aqueous solution and in the presence of two major osmolytes, trimethylamine-N-oxide (TMAO) and urea, as cosolvents at various concentrations and compositions and at different pressures and temperatures. The distributions of the cosolvent molecules and their orientation in the surroundings of the protein were analyzed in great detail. The distribution of urea is largely conserved near the protein. It varies little with pressure and temperature, and does practically not depend on the addition of TMAO...
January 24, 2017: Physical Chemistry Chemical Physics: PCCP
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