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protein hydration

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https://www.readbyqxmd.com/read/28537751/using-neutron-reflectometry-to-characterize-antimicrobial-protein-surface-coatings
#1
Peter W Akers, Andrew J Dingley, Simon Swift, Andrew R J Nelson, Julie Martin, Duncan James McGillivray
Understanding the interaction of adsorbed or covalently immobilized proteins with solid substrates at the molecular level guides the successful design of functionalized surfaces used in biomedical applications. In this report, neutron reflectometry (NR) was used to characterize the structure of surface-attached antimicrobial protein films, with antimicrobial activity assessed using an adaption of the Japanese Industrial Standard Test JIS Z 2801. NR allowed parameters influencing bioactivity to be measured at nanometer resolution and for conclusions about structural characteristics relating to bioactivity to be drawn...
May 24, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28532241/bacillus-cereus-type-polyhydroxyalkanoate-biosynthetic-gene-cluster-contains-r-specific-enoyl-coa-hydratase-gene
#2
Takahiro Kihara, Ayaka Hiroe, Manami Ishii-Hyakutake, Kouhei Mizuno, Takeharu Tsuge
Bacillus cereus and Bacillus megaterium both accumulate polyhydroxyalkanoate (PHA) but their PHA biosynthetic gene (pha) clusters that code for proteins involved in PHA biosynthesis are different. Namely, a gene encoding MaoC-like protein exists in the B. cereus-type pha cluster but not in the B. megaterium-type pha cluster. MaoC-like protein has an R-specific enoyl-CoA hydratase (R-hydratase) activity and is referred to as PhaJ when involved in PHA metabolism. In this study, the pha cluster of B. cereus YB-4 was characterized in terms of PhaJ's function...
May 22, 2017: Bioscience, Biotechnology, and Biochemistry
https://www.readbyqxmd.com/read/28529197/applications-of-nmr-to-membrane-proteins
#3
Stanley J Opella, Francesca M Marassi
Membrane proteins present a challenge for structural biology. In this article, we review some of the recent developments that advance the application of NMR to membrane proteins, with emphasis on structural studies in detergent-free, lipid bilayer samples that resemble the native environment. NMR spectroscopy is not only ideally suited for structure determination of membrane proteins in hydrated lipid bilayer membranes, but also highly complementary to the other principal techniques based on X-ray and electron diffraction...
May 18, 2017: Archives of Biochemistry and Biophysics
https://www.readbyqxmd.com/read/28527993/feasible-protein-aggregation-of-phosphorylated-poly-%C3%AE-glutamic-acid-derivative-from-bacillus-subtilis-natto
#4
Osamu Kurita, Toru Sago, Kaori Umetani, Yasushi Kokean, Chizuru Yamaoka, Nobuyuki Takahashi, Hiroyuki Iwamoto
Poly-γ-glutamic acid (PGA) was modified with phosphorylating agents such as sodium metaphosphate and potassium metaphosphate in the culture medium of Bacillus subtilis (natto). The highly phosphorylated PGA derivatives were prepared and investigated for their chemical and physicochemical properties. The PGA derivatives had approximately 7% (W/W) inorganic phosphorus and characteristic absorbance PO2(-) bands at 1082cm(-1) and 1260cm(-1) by Fourier Transform Infrared Spectroscopy. The derivative modified by sodium metaphosphate (J-5) was easily hydrated in water and had extremely low viscosity...
May 17, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28525711/protein-partial-molar-volumes-in-multi-component-solutions-from-the-perspective-of-inverse-kirkwood-buff-theory
#5
Cesar Calero-Rubio, Curtis M Strab, Gregory V Barnett, Christopher J Roberts
Inverse Kirkwood-Buff (KB) solution theory can be used to relate macroscopic quantities with molecular scale interactions and correlation functions, in the form of KB integrals. Protein partial specific volumes (<HAT>V</HAT>2) from high-precision density measurements can be used to quantify solvent-solute and solute-solute KB integrals. Currently, general expressions for <HAT>V</HAT>2 as a function of co-solute concentration (c3) have been provided for only binary and ternary solutions...
May 19, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28525669/relationship-between-bioimpedance-determined-body-composition-and-peritoneal-transport-in-peritoneal-dialysis
#6
Bernardo M da Costa, Gloria Del Peso, Maria Auxiliadora Bajo, Gilda Carreño, Marta Ferreira, Carina Ferreira, Rafael Selgas
PURPOSE: In peritoneal dialysis (PD) patients, body fluid homeostasis is dependent on peritoneal elimination of water and solutes. Patients with less favorable peritoneal transport parameters should be more overhydrated. Despite this, the association between faster transport and overhydration (OH) is weak, and the factors that influence hydration status are still poorly characterized. Modified peritoneal equilibration tests (PET) offer us new parameters that might correlate better with hydration status, like free water transport (FWT)...
May 18, 2017: International Journal of Artificial Organs
https://www.readbyqxmd.com/read/28521674/sorbitane-monostearate-and-cholesterol-based-niosomes-for-oral-delivery-of-telmisartan-from-bench-to-preclinical-implementation-in-wistar-albino-rats
#7
Abdul Ahad, Mohammad Raish, Fahad I Al-Jenoobi, Abdullah M Al-Mohizea
BACKGROUND: Niosomes are non-ionic surfactant vesicles used as drug carriers for encapsulating both hydrophobic and hydrophilic drugs. The aim of the present study was to prepare and characterize niosomes formulations for oral delivery of telmisartan and evaluated for its antihypertensive activity. METHOD: Telmisartan loaded niosomes were prepared using thin film hydration method by varying the Span 60 and cholesterol at several molar ratios and characterized for vesicles size, polydispersity index, zeta potential, entrapment efficiency...
May 18, 2017: Current Drug Delivery
https://www.readbyqxmd.com/read/28521202/dual-growth-factor-loaded-nonmulberry-silk-fibroin-carbon-nanofiber-composite-3d-scaffolds-for-in%C3%A2-vitro-and-in%C3%A2-vivo-bone-regeneration
#8
Deboki Naskar, Ananta K Ghosh, Mahitosh Mandal, Piyali Das, Samit K Nandi, Subhas C Kundu
In recent years the potential application of nanocomposite biomaterials in tissue engineering field is gaining importance because of the combined features of all the individual components. A bottom-up approach is acquired in this study to recreate the bone microenvironment. The regenerated silk protein fibroin obtained from nonmulberry tropical tasar Antheraea mylitta species is reinforced with functionalized carbon nano fiber (CNF) and the composite sponges are fabricated using facile green aqueous based method...
May 10, 2017: Biomaterials
https://www.readbyqxmd.com/read/28517005/hydrophobic-hydration-and-anomalous-diffusion-of-elastin-in-an-ethanolic-solution
#9
Nisha Pawar, Priyanka Kaushik, H B Bohidar
Elastin is an important structural protein that confers elasticity to tissues. It is widely used in the biosynthesis of human elastic tissues and exhibits interesting properties. This study reports an insight into the unusual dispersion and anomalous diffusion of elastin in an ethanolic solution. Due to its complex hydrophobic structure, its dispersibility was found to be sensitive towards the hydrophobicity of the solvent. Electrophoresis measurements (zeta-potential data) revealed that its net polarity changed from an anionic to a cationic state with the decreasing solvent hydrophobicity (ethanol content in the solvent)...
May 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28512162/increase-in-extracellular-hydration-status-after-initiating-peritoneal-dialysis-electively
#10
Kwanpeemai Panorchan, Andrew Davenport
Renal replacement therapy is designed to treat uremic symptoms and correct hypervolemia. We hypothesized that starting peritoneal dialysis (PD) should reduce overhydration, and we measured body composition and hydration status using bioimpedance in PD patients prior to training and then at the first assessment of peritoneal membrane function. We studied 100 consecutive patients with a planned start to PD, without peritoneal infections or mechanical catheter problems, mean age 54.7 ± 17.1 years, 57% male and 25% diabetic...
May 2017: Peritoneal Dialysis International: Journal of the International Society for Peritoneal Dialysis
https://www.readbyqxmd.com/read/28510051/proteins-in-binary-solvents
#11
REVIEW
Francesco Spinozzi, Paolo Mariani, Maria Grazia Ortore
Proteins in living organisms exist in complex aqueous solutions or embedded in membranes. In solution, proteins are surrounded by a tightly bound hydration layer, which is more ordered and less mobile than bulk water. As a consequence, water plays a major role in controlling protein structure stability, conformational flexibility, dynamics, and functionality, but it also appears that protein surface regulates the structuring of the surrounding water. The presence of cosolvents can modify the hydration layer characteristics and then the whole protein structural and dynamical properties...
June 2016: Biophysical Reviews
https://www.readbyqxmd.com/read/28508639/polarizable-and-non-polarizable-force-field-representations-of-ferric-cation-and-validations
#12
Miaoren Xia, Zhifang Chai, Dongqi Wang
The AMOEBA polarizable force field of ferric ion was optimized and applied to study the hydration of ferric ion and its complexation with porphine in aqueous phase. The non-polarizable force field was also optimized for comparison. AMOEBA force field was found to give more accurate hydration free energy than the non-polarizable force field with respect to experimental data, and correctly predict the most stable electronic state of hydrated Fe3+, which is the sextet state, and of Fe(III)-Por complex, which is quartet state, consistent with the literature that was carried out using DFT method...
May 16, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28505313/structural-study-of-the-fox-1-rrm-protein-hydration-reveals-a-role-for-key-water-molecules-in-rrm-rna-recognition
#13
Miroslav Krepl, Markus Blatter, Antoine Cléry, Fred F Damberger, Frédéric H T Allain, Jiri Sponer
The Fox-1 RNA recognition motif (RRM) domain is an important member of the RRM protein family. We report a 1.8 Å X-ray structure of the free Fox-1 containing six distinct monomers. We use this and the nuclear magnetic resonance (NMR) structure of the Fox-1 protein/RNA complex for molecular dynamics (MD) analyses of the structured hydration. The individual monomers of the X-ray structure show diverse hydration patterns, however, MD excellently reproduces the most occupied hydration sites. Simulations of the protein/RNA complex show hydration consistent with the isolated protein complemented by hydration sites specific to the protein/RNA interface...
May 13, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28502485/low-crowding-agent-concentration-destabilizes-against-pressure-unfolding
#14
J Somkuti, Z Török, F Pfalzgraf, L Smeller
The concentration of macromolecules inside a cell is very high, which can affect the behavior of the enzymes, and consequently influence vital biological processes. This is called macromolecular crowding. Since the most important effect of macromolecular crowding is the excluded volume, we performed pressure experiments, where the volume (as conjugate parameter to the pressure) is the crucial factor. We measured the temperature and pressure stability of bovine serum albumin and lysozyme with various concentrations of crowding agents, dextran, Ficoll™ and lysozyme itself...
May 1, 2017: Biophysical Chemistry
https://www.readbyqxmd.com/read/28498675/explicit-solvent-hydration-benchmark-for-proteins-with-application-to-the-pbsa-method
#15
Piotr Setny, Anita Dudek
Explicit and implicit solvent models have a proven record of delivering hydration free energies of small, druglike solutes in reasonable agreement with experiment. Hydration of macromolecules, such as proteins, is to a large extent uncharted territory, with few results shedding light on quantitative consistency between different solvent models, let alone their ability to reproduce real water. In this work, based on extensive explicit solvent simulations employing TIP3P and SPC/E water models we analyze hydration free energy changes between fixed conformations of 5 diverse proteins, including large multidomain structures...
May 24, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28493968/the-dead-hardened-floral-bracts-of-dispersal-units-of-wild-wheat-function-as-storage-for-active-hydrolases-and-in-enhancing-seedling-vigor
#16
Buzi Raviv, Gila Granot, Vered Chalifa-Caspi, Gideon Grafi
It is commonly assumed that the dead, hardened floral bracts of the dispersal unit of grasses have been evolved to protect seeds from predation and / or assist in fruit/caryopsis dispersal. While these structures have important agronomical and economical implications, their adaptive value has not been fully explored. We investigated the hypothesis that the maternally derived hardened floral bracts have been evolved not just as a means for caryopsis protection and dispersal, but also as storage for substances that might affect seed germination and seedling vigor...
2017: PloS One
https://www.readbyqxmd.com/read/28493967/water-permeation-through-the-internal-water-pathway-in-activated-gpcr-rhodopsin
#17
Katsufumi Tomobe, Eiji Yamamoto, Kholmirzo Kholmurodov, Kenji Yasuoka
Rhodopsin is a light-driven G-protein-coupled receptor that mediates signal transduction in eyes. Internal water molecules mediate activation of the receptor in a rhodopsin cascade reaction and contribute to conformational stability of the receptor. However, it remains unclear how internal water molecules exchange between the bulk and protein inside, in particular through a putative solvent pore on the cytoplasmic. Using all-atom molecular dynamics simulations, we identified the solvent pore on cytoplasmic side in both the Meta II state and the Opsin...
2017: PloS One
https://www.readbyqxmd.com/read/28485924/cooperative-interactions-in-the-hammerhead-ribozyme-drive-pka-shifting-of-g12-and-its-stacked-base-c17
#18
Erica A Frankel, Christopher A Strulson, Christine D Keating, Philip C Bevilacqua
General acid-base catalysis is a key mechanistic strategy in protein and RNA enzymes. Ribozymes use hydrated metal ions, nucleobases, and organic cofactors to carry this out. In most small ribozymes, a guanosine is positioned to participate in proton transfer with the nucleophilic 2'-OH. The unshifted pKa values for nucleobases and solvated metal ions are far from neutrality, however, and thus nonideal for general acid-base catalysis. Herein, evidence is provided for cooperative interaction in the hammerhead ribozyme among the guanine that interacts with the nucleophilic 2'-OH, G12, the -1 nucleobase C17, and Mg(2+) ions...
May 9, 2017: Biochemistry
https://www.readbyqxmd.com/read/28485735/the-mechanism-of-eccrine-sweat-pore-plugging-by-aluminium-salts-using-microfluidics-combined-with-small-angle-x-ray-scattering
#19
Alice Bretagne, Franck Cotot, Mireille Arnaud-Roux, Michael Sztucki, Bernard Cabane, Jean-Baptiste Galey
Aluminium salts are widely used to control sweating for personal hygiene purposes. Their mechanism of action as antiperspirants was previously thought to be a superficial plugging of eccrine sweat pores by the aluminium hydroxide gel. Here we present a microfluidic T junction device that mimics sweat ducts, and is designed for the real time study of interactions between sweat and ACH (Aluminium Chloro Hydrate) under conditions that lead to plug formation. We used this device to image and measure the diffusion of aluminium polycationic species in sweat counter flow...
May 24, 2017: Soft Matter
https://www.readbyqxmd.com/read/28480496/preferential-hydration-fully-controls-the-renaturation-dynamics-of-collagen-in-water-glycerol-solvents
#20
O Ronsin, C Caroli, T Baumberger
Glycerol is one of the additives which stabilize collagen, as well as globular proteins, against thermally induced denaturation --an effect explained by preferential hydration, i.e. by the formation, in water/glycerol solvents, of a hydration layer whose entropic cost favors the more compact triple-helix native structure against the denatured one, gelatin. Quenching gelatin solutions promotes renaturation which, however, remains incomplete, as the formation of a gel network gives rise to growing topological constraints...
May 2017: European Physical Journal. E, Soft Matter
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