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https://www.readbyqxmd.com/read/29161634/shielding-effect-in-protein-folding
#1
Adam K Sieradzan, Agnieszka G Lipska, Emilia A Lubecka
One of the most important interactions responsible for protein folding and stability are hydrogen bonds between peptide groups. There is a constant competition between the water molecules and peptide groups in a hydrogen bond formation. Also side-chains take part in this process by reducing hydration of peptide group (shielding effect) that promotes the protein folding. In this paper, a new approach to take into account a shielding effect is presented. A modification of the energy function is derived and incorporated into the UNited RESidue (UNRES) force field...
November 1, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29161516/influence-of-grafted-block-copolymer-structure-on-thermoresponsiveness-of-superparamagnetic-core-shell-nanoparticles
#2
Steffen Kurzhals, Martina Schroffenegger, Noga Gal, Ronald Zirbs, Erik Reimhult
The morphology and topology of thermoresponsive polymers have strong impact on their responsive properties. Grafting onto spherical particles has been shown to reduce responsiveness and transition temperatures; grafting of block copolymers has shown that switchable or retained wettability of a surface or particle during desolvation of one block can take place. Here, doubly thermoresponsive block copolymers were grafted onto spherical, monodisperse and superparamagnetic iron oxide nanoparticles to investigate the effect of thermal desolvation on spherical brushes of block copolymers...
November 21, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/29161043/gold-i-catalyzed-cyclization-carbonylation-cascade-reaction-of-1-6-diynes-an-access-to-%C3%AE-%C3%AE-unsaturated-ketones
#3
Ming Bao, Wei Lu, Yanping Cai, Lihua Qiu, Xinfang Xu
A gold-catalyzed cyclization/carbonylation cascade reaction of 1,6-diynes is reported. The reaction goes through 6-exo-dig and 6-endo-dig cyclizations in sequence, and followed by hydration to provide the β,γ-unsaturated ketones with moderate to high yields under mild reaction conditions. This is the first example of intercepting the postulated 1,3-oxazine vinylgold intermediate with another pendant alkyne, which not only verifies the proposed mechanism, but also provides the ketone products with cyclized 1,2,3,6-tetrahydropyridine or 3,6-dihydro-2H-pyran frameworks from corresponding diynes...
November 21, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29160714/understanding-aqueous-stability-and-filtration-capability-of-mos2-membranes
#4
Zhongying Wang, Qingsong Tu, Sunxiang Zheng, Jeffrey J Urban, Shaofan Li, Baoxia Mi
Membranes made of layer-stacked two-dimensional molybdenum disulfide (MoS2) nanosheets have recently shown great promise for water filtration. At present, the reported water fluxes vary significantly while the accountable structure and properties of MoS2 nanochannels are largely unknown. This paper aims to mechanistically relate the performance of MoS2 membranes to the size of their nanochannels in different hydration states. We discovered that fully hydrated MoS2 membranes retained a 1.2-nm interlayer spacing (or 0...
November 21, 2017: Nano Letters
https://www.readbyqxmd.com/read/29160706/synthesis-and-characterization-of-ultralow-fouling-poly-n-acryloyl-glycinamide-brushes
#5
Fengyu Yang, Yonglan Liu, Yanxian Zhang, Baiping Ren, Jianxiong Xu, Jie Zheng
Rational design of biomaterials with antifouling properties still remains a challenge, but is important for many bench-to-bedside applications for biomedical implants, drug delivery carriers, and marine coatings. Herein we synthesized and characterized poly(N-acryloylglycinamide) (polyNAGA) and then grafted poly(NAGA) onto Au substrate to form polymer brushes with well controlled film stability, wettability and thickness using the surface-initiated atom transfer radical polymerization (SI-ATRP). The NAGA monomer integrates two hydrophilic amides on the side chain to enhance surface hydration, which is thought as a critical contributor to antifouling property...
November 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29160687/janus-reactors-with-highly-efficient-enzymatic-co2-nanocascade-at-air-liquid-interface
#6
Song Gao, Munirah Mohammad, Hao-Cheng Yang, Jia Xu, Kang Liang, Jingwei Hou, Vicki Chen
Though enzymatic cascade reactors have been the subject of intense research over the past few years, their application is still limited by the complicated fabrication protocols, unsatisfactory stability and lack of effective reactor designs. In addition, the spatial positioning of the cascade reactor has so far not been investigated, which is of significant importance for bi-phase catalytic reaction systems. Inspired by the Janus properties of the lipid cellular membrane, here we show a highly efficient Janus gas-liquid reactor for CO2 hydration and conversion...
November 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29160070/cation-hydration-in-supercritical-naoh-and-hcl-aqueous-solutions
#7
Christoph J Sahle, Johannes Niskanen, Christian Schmidt, Johannes Stefanski, Keith Gilmore, Yury Forov, Sandro Jahn, Max Wilke, Christian Sternemann
We present a study of the local atomic environment of the oxygen atoms in aqueous solutions of NaOH and HCl under simultaneous high temperature and high pressure conditions. Experimental non-resonant X-ray Raman scattering core-level spectra at the oxygen K-edge show systematic changes as a function of temperature and pressure. These systematic changes are distinct for the two different solutes and are described well by calculations within the Bethe-Salpeter formalism for snapshots from {\it ab initio} molecular dynamics simulations...
November 21, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29159968/histochemical-and-immunohistochemical-characterization-of-rodlet-cells-in-the-intestine-of-two-teleosts-anguilla-anguilla-and-cyprinus-carpio
#8
G Bosi, J A DePasquale, M Manera, G Castaldelli, L Giari, B Sayyaf Dezfuli
Rodlet cells (RC) are characterized by a distinctive cell cortex and conspicuous inclusions named "rodlets." These cells are particularly abundant and large in size in intestine of eels. Histochemical, immunohistochemical and ultrastructural investigations were carried out on European eel Anguilla anguilla and Common carp Cyprinus carpio from Northern Italy. Eight biotinylated lectins were used to probe for specific carbohydrate residues in deparaffinized, hydrated intestinal sections of eel and carp. Five antibodies were tested on intestinal sections of both fish species: inducible nitric oxide synthase (i-NOS), leu-enkephalin, lysozyme, serotonin and tumour necrosis factor-α...
November 21, 2017: Journal of Fish Diseases
https://www.readbyqxmd.com/read/29159347/how-do-the-interfacial-properties-of-zwitterionic-sulfobetaine-micelles-differ-from-those-of-cationic-alkyl-quaternary-ammonium-micelles-an-excited-state-proton-transfer-study
#9
Aparajita Phukon, Kalyanasis Sahu
Zwitterionic surfactants (e.g. sulfobetaine), comprising both positive and negative groups in their headgroups, are essentially electro-neutral as monomers, but their micelles preferentially uptake anions similar to cationic surfactant micelles. How do the interfacial properties (e.g. interfacial hydration or headgroup packing) of a zwitterionic micelle differ from those of a cationic micelle? For this, we investigated excited-state proton transfer (ESPT) and fluorescence anisotropy decay of an interface-localized negative fluorophore, 8-hydroxypyrene-1,3,6-trisulphonate (HPTS), and its methyl analogue, 8-methoxypyrene-1,3,6-trisulfonate (MPTS), within the micellar interfaces...
November 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29158902/hypernatraemic-hypovolaemia-with-anaemia-an-unusual-presentation-of-primary-testicular-insufficiency
#10
Usman Javaid, Vikram Lal, Catherine Napier, Alison Burbridge, Richard Quinton
Hypogonadal men may experience intense vasomotor symptoms, and vasomotor sweating can occasionally be associated with profound fluid losses. We describe a 37-year-old male, who exhibited persistent hypovolaemic hypernatraemia that was challenging to treat despite a continuous high fluid input (>4-5 L/day). He was noted to have drenching sweats and normochromic anaemia. He had recent traumatic head injury, which resulted in neurocognitive dysfunction, so pituitary function tests were done which showed primary hypogonadism...
2017: Endocrinology, Diabetes & Metabolism Case Reports
https://www.readbyqxmd.com/read/29158619/the-effect-of-mineral-based-alkaline-water-on-hydration-status-and-the-metabolic-response-to-short-term-anaerobic-exercise
#11
Jakub Chycki, Tomasz Zając, Adam Maszczyk, Anna Kurylas
Previously it was demonstrated that mineralization and alkalization properties of mineral water are important factors influencing acid-base balance and hydration in athletes. The purpose of this study was to investigate the effects of drinking different types of water on urine pH, specific urine gravity, and post-exercise lactate utilization in response to strenuous exercise. Thirty-six male soccer players were divided into three intervention groups, consuming around 4.0 l/day of different types of water for 7 days: HM (n=12; highly mineralized water), LM (n=12; low mineralized water), and CON (n=12; table water)...
September 2017: Biology of Sport
https://www.readbyqxmd.com/read/29158598/influences-of-lone-pair-electrons-on-directionality-of-hydrogen-bonds-formed-by-hydrophilic-amino-acid-side-chains-in-molecular-dynamics-simulation
#12
Tomotaka Oroguchi, Masayoshi Nakasako
The influence of lone-pair electrons on the directionality of hydrogen bonds that are formed by oxygen and nitrogen atoms in the side chains of nine hydrophilic was investigated using molecular dynamics simulations. The simulations were conducted using two types of force fields; one incorporated lone-pair electrons placed at off-atom sites and the other did not. The density distributions of the hydration water molecules around the oxygen and nitrogen atoms were calculated from the simulation trajectories, and were compared with the empirical hydration distribution functions, which were constructed from a large number of hydration water molecules found in the crystal structures of proteins...
November 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29158409/hydrophobicity-of-proteins-and-nanostructured-solutes-is-governed-by-topographical-and-chemical-context
#13
Erte Xi, Vasudevan Venkateshwaran, Lijuan Li, Nicholas Rego, Amish J Patel, Shekhar Garde
Hydrophobic interactions drive many important biomolecular self-assembly phenomena. However, characterizing hydrophobicity at the nanoscale has remained a challenge due to its nontrivial dependence on the chemistry and topography of biomolecular surfaces. Here we use molecular simulations coupled with enhanced sampling methods to systematically displace water molecules from the hydration shells of nanostructured solutes and calculate the free energetics of interfacial water density fluctuations, which quantify the extent of solute-water adhesion, and therefore solute hydrophobicity...
November 20, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29157956/comparative-analysis-of-fixation-and-embedding-techniques-for-optimized-histological-preparation-of-zebrafish
#14
Jean E Copper, Lynn R Budgeon, Christina A Foutz, Damian B van Rossum, Daniel J Vanselow, Margaret J Hubley, Darin P Clark, David T Mandrell, Keith C Cheng
In recognition of the importance of zebrafish as a model organism for studying human disease, we have created a web-based reference atlas of zebrafish microanatomy for comparing histology and histopathology between model systems and with humans (http://bio-atlas.psu.edu). Fixation, decalcification, embedding, and sectioning were optimized to maximize section quality. A comparison of protocols involving six fixatives showed that 10% Neutral Buffered Formalin at 21°C for 24h yielded excellent results. Sectioning of juveniles and adults requires bone decalcification; EDTA at 0...
November 17, 2017: Comparative Biochemistry and Physiology. Toxicology & Pharmacology: CBP
https://www.readbyqxmd.com/read/29157150/assessment-of-urinary-protein-composition-in-response-to-consecutive-days-of-wildland-firefighting
#15
Nobuo Yasuda, Brent C Ruby
The purpose of this study was to examine the pattern of urinary protein excretion induced by three consecutive days of wildland firefighting. Eighteen male active duty military personnel were served as the participants. All testing consisting of three consecutive days was conducted at a Northwestern USA fire camp. All participants consumed military-based foods containing 2620-2864 kcal/day. The work activity was evaluated with an accelerometer in association with body weight and hydration markers over the experimental period...
November 20, 2017: International Journal of Occupational Safety and Ergonomics: JOSE
https://www.readbyqxmd.com/read/29156917/advance-care-planning-for-patients-with-advanced-neurology-diseases
#16
Ka-Chi Cheung, Vikki Wai-Kee Lau, Ka-Chun Un, Man-Sheung Wong, Kwok-Ying Chan
BACKGROUND: Advanced neurology diseases including motor neuron disease (MND) are usually progressive life-limiting illness and could be devastating for patients, families and caregivers. Although medical technologies, such as enteral feeding and non-invasive ventilation, may prolong life expectancy of the patients, their utilization prompts important ethical questions in regard to their quality of life (QoL). Little attention had been paid on how ACP practice would practically help with patients suffering from different neurology diseases...
October 13, 2017: Annals of Palliative Medicine
https://www.readbyqxmd.com/read/29156290/understanding-hydration-effects-on-mechanical-and-impacting-properties-of-turtle-shell
#17
Xu Zhang, Zhen-Bing Cai, Wei Li, Min-Hao Zhu
Study of the properties of natural biomaterials provides a reliable experimental basis for the design of biomimetic materials. The mechanical properties and impact wear behaviors of turtle shell with different soaking time were investigated on a micro-amplitude impact wear tester. The damage behavior of turtle shells with different soaking time and impact cycles were systematically analyzed, also the impact dynamics behavior was inspected during the impact wear progress. The results showed that the energy absorption and impact contact force were significantly different with varied soaking time...
November 10, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/29156066/dehydration-of-older-patients-in-institutional-care-and-the-home-environment
#18
Amadeus Lešnik, Nejc Piko, Danica Železnik, Sebastjan Bevc
Dehydration in older adults is an important clinical problem associated with more comorbidities, longer hospital stays, and higher mortality rates. However, in daily clinical practice, no single gold standard marker of hydration status in older adults is available. The aim of the current study was to define the fluid balance status in older adults residing in institutional care or the home. Four hundred ten patients (192 from institutional care and 218 from home care) 65 and older from the region of lower Styria (Slovenia) were included in the study...
November 1, 2017: Research in Gerontological Nursing
https://www.readbyqxmd.com/read/29155571/oxygen-activation-by-cu-lpmos-in-recalcitrant-carbohydrate-polysaccharide-conversion-to-monomer-sugars
#19
Katlyn K Meier, Stephen M Jones, Thijs Kaper, Henrik Hansson, Martijn J Koetsier, Saeid Karkehabadi, Edward I Solomon, Mats Sandgren, Bradley Kelemen
Natural carbohydrate polymers such as starch, cellulose, and chitin provide renewable alternatives to fossil fuels as a source for fuels and materials. As such, there is considerable interest in their conversion for industrial purposes, which is evidenced by the established and emerging markets for products derived from these natural polymers. In many cases, this is achieved via industrial processes that use enzymes to break down carbohydrates to monomer sugars. One of the major challenges facing large-scale industrial applications utilizing natural carbohydrate polymers is rooted in the fact that naturally occurring forms of starch, cellulose, and chitin can have tightly packed organizations of polymer chains with low hydration levels, giving rise to crystalline structures that are highly recalcitrant to enzymatic degradation...
November 20, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/29155085/ir-spectroscopy-analysis-of-pancreatic-lipase-related-protein-2-interaction-with-phospholipids-2-discriminative-recognition-of-various-micellar-systems-and-characterization-of-plrp2-dppc-bile-salt-complexes
#20
Eduardo Mateos-Diaz, Priscila Sutto-Ortiz, Moulay Sahaka, Deborah Byrne, Hélène Gaussier, Frédéric Carrière
The interaction of pancreatic lipase-related protein 2 (PLRP2) with various micelles containing phospholipids was investigated using pHstat enzyme activity measurements, differential light scattering, size exclusion chromatography (SEC) and transmission IR spectroscopy. Various micelles of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and lysophosphatidylcholine were prepared with either bile salts (sodium taurodeoxycholate or glycodeoxycholate) or Triton X-100, which are substrate-dispersing agents commonly used for measuring phospholipase activities...
November 16, 2017: Chemistry and Physics of Lipids
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