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protein hydration

Elisabetta Giorgini, Simona Sabbatini, Romina Rocchetti, Valentina Notarstefano, Corrado Rubini, Carla Conti, Giulia Orilisi, Elisa Mitri, Diana E Bedolla, Lisa Vaccari
In the present study, human primary oral squamous carcinoma cells treated with cisplatin and 5-fluorouracil were analyzed, for the first time, by in vitro FTIR Microspectroscopy (FTIRM), to improve the knowledge on the biochemical pathways activated by these two chemotherapy drugs. To date, most of the studies regarding FTIRM cellular analysis have been executed on fixed cells from immortalized cell lines. FTIRM analysis performed on primary tumor cells under controlled hydrated conditions provides more reliable information on the biochemical processes occurring in in vivo tumor cells...
June 22, 2018: Analyst
Netanel Shpigel, Mikhael D Levi, Sergey Sigalov, Tyler S Mathis, Yury Gogotsi, Doron Aurbach
Although significant progress has been achieved in understanding of ion-exchange mechanisms in the new family of 2D transition metal carbides and nitrides known as MXenes, direct gravimetric assessment of water insertion into the MXene interlayer spaces and mesopores has not been reported so far. Concurrently, the latest research on MXene and Birnessite electrodes shows that nanoconfined water dramatically improves their gravimetric capacity and rate capability . Hence quantification of the amount of confined water in solvated electrodes is becoming an important goal of energy-related research...
June 21, 2018: Journal of the American Chemical Society
Israel Zadok, Simcha Srebnik
The MARTINI force-field is adapted for acrylic functional monomers and used to simulate protein-imprinted polymers, including complexation in solution, cross-linking reaction, washing, and rebinding of the protein. A globally-controlled grand canonical Monte Carlo simulation combined with molecular dynamics is used to achieve proper hydration and swelling of the gel. Two gel formulations are compared, one with only polar functional monomers, and one with additional small number of charged monomers. Imprinted hydrogels are evaluated for two proteins, lysozyme and cytochrome C, chosen due to their similarity in size and isoelectric point, though it is known that their imprinting behavior is very different...
June 21, 2018: Journal of Physical Chemistry. B
Monasadat Talarimoghari, Gerhard Baaken, Ralf Hanselmann, Jan C Behrends
We use two pore-forming proteins, alpha-hemolysin and aerolysin, to compare the polymer size-dependence of ionic current block by two types of ethyleneglycol polymers: 1) linear and 2) 3-arm star poly(ethylene glycol), both applied as a polydisperse mixture of average mass 1kDa under high salt conditions. The results demonstrate that monomer size sensitivity, as known for linear PEGs, is conserved for the star polymers with only subtle differences in the dependence of the residual conductance on monomer number...
June 18, 2018: European Physical Journal. E, Soft Matter
Farzad Khademi, Amirhossein Sahebkar, Mahdi Fasihi-Ramandi, Ramezan Ali Taheri
A promising strategy for preventing illness and death caused by Mycobacterium tuberculosis (Mtb) is vaccination. In this study, we aimed to evaluate the capacity of a multicomponent vaccine comprising HspX/EsxS-fused protein, PLGA (poly (lactide-co-glycolide)) and DOTAP (1, 2-dioleoyl-3-trimethylammonium propane) in eliciting immune responses against Mtb in BALB/c mice. A preparation of PLGA nanoparticles (NPs) containing fused protein and DOTAP adjuvant was made using double emulsion solvent evaporation (w/o/w) and lipid film hydration methods, respectively...
June 2018: APMIS: Acta Pathologica, Microbiologica, et Immunologica Scandinavica
Qi Qian
The popular modern diet, characterized by an excess of animal protein and salt but insufficient in fruits, vegetables and water, is a poor fit for human physiological and homeostatic regulatory systems. Sustained net acid and sodium retention, coupled with an insufficient intake of cardiovascular protective potassium-rich foods and hydration in the modern diet can give rise to debilitating chronic organ dysfunction and ultimately, mortality. This holds true, especially in our aging population who are already facing inevitable decline in organ functional reserve...
June 16, 2018: Nutrients
Rick Huisjes, Anna Bogdanova, Wouter W van Solinge, Raymond M Schiffelers, Lars Kaestner, Richard van Wijk
Deformability is an essential feature of blood cells (RBCs) that enables them to travel through even the smallest capillaries of the human body. Deformability is a function of (i) structural elements of cytoskeletal proteins, (ii) processes controlling intracellular ion and water handling and (iii) membrane surface-to-volume ratio. All these factors may be altered in various forms of hereditary hemolytic anemia, such as sickle cell disease, thalassemia, hereditary spherocytosis and hereditary xerocytosis. Although mutations are known as the primary causes of these congenital anemias, little is known about the resulting secondary processes that affect RBC deformability (such as secondary changes in RBC hydration, membrane protein phosphorylation, and RBC vesiculation)...
2018: Frontiers in Physiology
Maksym Golub, Leonid Rusevich, Klaus-Dieter Irrgang, Joerg Pieper
Dynamics-function correlations are usually inferred when molecular mobility and protein function are simultaneously impaired at characteristic temperatures or hydration levels. In this sense, excitation energy transfer in the photosynthetic light-harvesting complex II (LHC II) is an untypical example, because it remains fully functional even at cryogenic temperatures relying mainly on interactions of electronic states with protein vibrations. Here, we study the vibrational and conformational protein dynamics of monomeric and trimeric light-harvesting complex II (LHC II) from spinach using inelastic neutron scattering (INS) in the temperature range between 20 and 305 K...
June 16, 2018: Journal of Physical Chemistry. B
Yasir Abdul, Mohammed Abdelsaid, Weiguo Li, R Clinton Webb, Jennifer C Sullivan, Guangkuo Dong, Adviye Ergul
Diabetes increases the risk of occurrence and poor functional recovery after ischemic stroke injury. Previously, we have demonstrated greater hemorrhagic transformation (HT), edema, and more severe functional deficits after stroke in diabetic animals that also presented with cerebral vasoregression and endothelial cell death in the recovery period. Given that Toll-like receptor 4 (TLR-4) activation in microvascular endothelial cells triggers a robust inflammatory response, we hypothesized that inhibition of TLR-4 signaling prevents endothelial cell death and improves outcomes after stroke...
June 16, 2018: Molecular Neurobiology
Zora Váradyová, Dominika Mravčáková, Monika Holodová, Ľubomira Grešáková, Jana Pisarčíková, Marcin Barszcz, Marcin Taciak, Anna Tuśnio, Svetlana Kišidayová, Klaudia Čobanová
Two experiments were conducted on sheep to determine the effect of dietary supplementation with zinc and a medicinal plant mixture on haematological parameters and microbial activity in the rumen and large intestine. In Experiment 1, 24 male lambs were randomly divided into four groups: One group was fed an unsupplemented basal diet (control), and three groups were fed a diet supplemented with 70 mg Zn/kg diet in the form of Zn sulphate (ZnSO4 ), a Zn-chelate of glycine hydrate (Zn-Gly) or a Zn-proteinate (Zn-Pro), for five months...
June 14, 2018: Journal of Animal Physiology and Animal Nutrition
Rita M Borik, Nagwa M Fawzy, Sherifa M Abu-Bakr, Magdy S Aly
Curcumin, a widely utilized flavor and coloring agent in food, has been shown to demonstrate powerful antioxidant, antitumor promoting and anti-inflammatory properties in vitro and in vivo. In the present work, synthesis of new heterocyclic derivatives based on Curcumin was studied. Compound 3 was synthesized via the reaction of furochromone carbaldehyde ( 1 ) with Curcumin ( 2 ) using pipredine as catalyst. Also, novel, 4,9-dimethoxy-5 H -furo [3, 2- g ] chromen-5-one derivatives 4a ⁻ d , 6a ⁻ d , 7 , 8a ⁻ d , 9 and 10 were synthesized by the reactions of furochromone carbaldehyde ( 1 ) with different reagents (namely: appropriate amine 3a ⁻ d , appropriate hydrazine 5a ⁻ d , hydroxylamine hydrochloride, urea/thiourea, malononitrile, malononitrile with hydrazine hydrate)...
June 8, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Atsuo Miyazawa
Cryo-electron microscopy (cryo-EM) includes three technical methods, (1) rapid freezing for vitreous ice-embedding, (2) observation of frozen hydrated specimens, and (3) image processing for three-dimensional structural analysis. The three-dimensional structural analysis can be performed in three different ways. Electron crystallography can decipher the structure of membrane proteins at the highest resolution (atomic level). Single particle analysis now allows the determiration of the structure of highly purified proteins and complexes (non-crystalline biomolecules) in solution at the near-atomic level...
June 2018: Brain and Nerve, Shinkei Kenkyū No Shinpo
Filip Persson, Pär Söderhjelm, Bertil Halle
Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with three different water models, we examine several, essentially geometrical, aspects of the protein-water interface that remain controversial or incompletely understood. First, we compare different hydration shell definitions, based on spatial or topological proximity criteria. We find that the best method for constructing monolayer shells with nearly complete coverage is to use a 5 Å water-carbon cutoff and a 4 Å water-water cutoff...
June 7, 2018: Journal of Chemical Physics
Filip Persson, Bertil Halle
The compressibility of a protein relates to its stability, flexibility, and hydrophobic interactions, but the measurement, interpretation, and computation of this important thermodynamic parameter present technical and conceptual challenges. Here, we present a theoretical analysis of protein compressibility and apply it to molecular dynamics simulations of four globular proteins. Using additively weighted Voronoi tessellation, we decompose the solution compressibility into contributions from the protein and its hydration shells...
June 7, 2018: Journal of Chemical Physics
Filip Persson, Pär Söderhjelm, Bertil Halle
Proteins interact with their aqueous surroundings, thereby modifying the physical properties of the solvent. The extent of this perturbation has been investigated by numerous methods in the past half-century, but a consensus has still not emerged regarding the spatial range of the perturbation. To a large extent, the disparate views found in the current literature can be traced to the lack of a rigorous definition of the perturbation range. Stating that a particular solvent property differs from its bulk value at a certain distance from the protein is not particularly helpful since such findings depend on the sensitivity and precision of the technique used to probe the system...
June 7, 2018: Journal of Chemical Physics
Filip Persson, Pär Söderhjelm, Bertil Halle
Much of biology happens at the protein-water interface, so all dynamical processes in this region are of fundamental importance. Local structural fluctuations in the hydration layer can be probed by 17 O magnetic relaxation dispersion (MRD), which, at high frequencies, measures the integral of a biaxial rotational time correlation function (TCF)-the integral rotational correlation time. Numerous 17 O MRD studies have demonstrated that this correlation time, when averaged over the first hydration shell, is longer than in bulk water by a factor 3-5...
June 7, 2018: Journal of Chemical Physics
Zekai Cui, Qiaolang Zeng, Shiwei Liu, Yanan Zhang, Deliang Zhu, Yonglong Guo, Mengyuan Xie, Sanjana Mathew, Dongqing Cai, Jun Zhang, Jiansu Chen
The development of functional therapies for corneal repair and regeneration is a pressing issue. Corneal stroma provides the principal functions of the cornea. However, because of the highly organized nature of the stromal matrix, the attempts to reproduce corneal stroma might follow a scar model. Here, we have developed a protocol for the efficient generation of a cell-laden and orthogonal-multilayer tissue-engineered (TE) corneal stroma, which is induced by the mechanical effects of compressed collagen (CC) or stretched compressed collagen (SCC)...
June 5, 2018: Acta Biomaterialia
Aurora Garre, Mridvika Narda, Palmira Valderas-Martinez, Jaime Piquero, Corinne Granger
Background: With age, decreasing dermal levels of proteoglycans, collagen, and elastin lead to the appearance of aged skin. Oxidation, largely driven by environmental factors, plays a central role. Aim: The aim of this study was to assess the antiaging efficacy of a topical serum containing L-Ascorbic acid, soluble proteoglycans, low molecular weight hyaluronic acid, and a tripeptide in ex vivo and in vivo clinical studies. Methods: Photoaging and photo-oxidative damage were induced in human skin explants by artificial solar radiation...
2018: Clinical, Cosmetic and Investigational Dermatology
Hans Matter, Stefan Güssregen
Water is an essential part of protein binding sites and mediates interactions to ligands. Its displacement by ligand parts affects the free binding energy of resulting protein-ligand complexes. Therefore the characterization of solvation properties is important for design. Of particular interest is the propensity of localized water to be favorably displaced by a ligand. This review discusses two popular computational approaches addressing these questions, namely WaterMap based on statistical mechanics analysis of MD simulations and 3D RISM based on integral equation theory of liquids...
June 1, 2018: Bioorganic & Medicinal Chemistry Letters
Amel Benatallah, Faissal Ghozlane, Michel Marie
Objective: This study was conducted to evaluate the effect of water restriction (WR) on physiological and blood parameters on lactating dairy cows reared under Mediterranean climate. Methods: The trial lasted 16 days preceded by two weeks of adaptation to the experimental condition in spring 2014 on 6 dairy cows in mid-lactation. These cows were watered at will for 4 days (W100) (hydration period), then split into 2 groups, one group has received 25% and the other 50% of water compared to their mean water consumption during the hydration period; then rehydrated for 4 days...
May 31, 2018: Asian-Australasian Journal of Animal Sciences
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