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https://www.readbyqxmd.com/read/29238768/atomic-adsorption-on-graphene-with-a-single-vacancy-systematic-dft-study-through-the-periodic-table-of-elements
#1
Igor A Pašti, Aleksandar Jovanović, Ana S Dobrota, Slavko V Mentus, Börje Johansson, Natalia V Skorodumova
Vacancies in graphene present sites of altered chemical reactivity and open possibilities to tune graphene properties by defect engineering. The understanding of chemical reactivity of such defects is essential for successful implementation of carbon materials in advanced technologies. We report the results of a systematic DFT study of atomic adsorption on graphene with a single vacancy for the elements of rows 1-6 of the periodic table of elements (PTE), excluding lanthanides. The calculations have been performed using the PBE, long-range dispersion interaction-corrected PBE (PBE+D2 and PBE+D3) and non-local vdW-DF2 functionals...
December 13, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29238488/effect-of-hydrofluoric-acid-surface-treatments-on-micro-shear-bond-strength-of-cad-cam-ceramics
#2
Faraneh Mokhtarpour, Homayoon Alaghehmand, Soraya Khafri
Introduction: Dental ceramics are appreciated as highly esthetic restorative materials that can simulate the appearance of natural dentition better than other materials. The aim of this study was to evaluate the effect of hydrofluoric acid concentration and etching time on micro-shear bond strength (μSBS) to IPS e.max CAD and Vita Mark II of a dual cured resin cement (Panavia F2.0). Methods: This study was an experimental in vitro study, performed in the dental material research center of Babol University of Medical Sciences in 2016...
October 2017: Electronic Physician
https://www.readbyqxmd.com/read/29235838/hydrogel-with-ultra-fast-self-healing-property-both-in-air-and-underwater
#3
Weipeng Chen, Dezhao Hao, Wanjun Hao, Xinglin Guo, Lei Jiang
Self-healing hydrogels have a great potential utilization in 3D printing, soft robotics, and tissue engineering, due to the ability to expand the useful lifespan. There has been a large number of successful strategies in developing hydrogels which exhibit rapid and autonomous recovery. However, a gel with an excellent self-healing performance within several seconds is still an enormous challenge. Here, an ultra-fast self-healing hydrogel based on a PVA/agarose double network is presented. The gel utilizing dynamic borate bond exhibits 100% cure in strength and elongation after healing for 10 seconds in air, and this hydrogel shows an excellent self-healing property underwater as well...
December 13, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29235205/the-effect-of-surface-treatment-on-shear-bond-strength-between-y-tzp-and-veneer-ceramic-a-systematic-review-and-meta-analysis
#4
REVIEW
Caroline Cantieri de Mello, Sandro Basso Bitencourt, Daniela Micheline Dos Santos, Aldiéris Alves Pesqueira, Eduardo Piza Pellizzer, Marcelo Coelho Goiato
PURPOSE: The objective of this systematic review with meta-analysis was to evaluate surface treatment in yttria-stabilized tetragonal zirconia polycrystal ceramic (Y-TZP) on the shear bond strength (SBS) values between Y-TZP (core ceramic) and veneer ceramic, compared to untreated specimens. MATERIALS AND METHODS: This review was registered at PROSPERO platform under the number CRD42016036493. The systematic review of the extracted publications was performed to compare the effect of surface treatment on SBS between Y-TZP ceramic and veneering ceramic...
December 13, 2017: Journal of Prosthodontics: Official Journal of the American College of Prosthodontists
https://www.readbyqxmd.com/read/29235196/influence-of-particle-and-air-abrasion-moment-on-y-tzp-surface-characterization-and-bond-strength
#5
Samira Branco Martins, Filipe de Oliveira Abi-Rached, Gelson Luis Adabo, Paolo Baldissara, Renata Garcia Fonseca
PURPOSE: To evaluate the influence of particle and air-abrasion on the surface characterization and shear bond strength (SBS) of a Y-TZP ceramic with a resin cement. MATERIALS AND METHODS: Y-TZP specimens were air-abraded with 50 μm alumina particles; 120 μm alumina particles; 30 μm silica-coated alumina particles (Rocatec Soft); 110 μm silica-coated alumina particles (Rocatec Plus). Air-abrasion was performed before (BS); after (AS); before and after (BAS) zirconia sintering...
December 13, 2017: Journal of Prosthodontics: Official Journal of the American College of Prosthodontists
https://www.readbyqxmd.com/read/29234755/self-etching-enamel-bonding-using-acidic-functional-monomers-with-different-length-carbon-chains-and-hydrophilicity
#6
Viviane Hass, Gabriel Abuna, Victor Pinheiro Feitosa, Eveline Claudia Martini, Mario Alexandre Sinhoreti, Roberta Furtado Carvalho, Matheus Coelho Bandéca, Salvatore Sauro, Alessandro D Loguercio
PURPOSE: To compare the enamel bonding performace of two commercial and three experimental two-step self-etch adhesives containing acidic functional monomers with different carbon-spacer length and hydrophilicity. The contact angle was also assessed to evaluate the wettability of each tested material. MATERIALS AND METHODS: Forty extracted human molars were sectioned into four parts (buccal, lingual, mesial, and distal) and divided into 5 groups, according to the adhesives used: Clearfil SE Bond (CSE), AdheSE (ADSE), 10-MDP (15 mol% 10-methacryloyldecylphosphate), CAP-P (15 mol% caprolactone phosphate), and MTEP (15 mol% methacryloyltetraethylene phosphate)...
December 12, 2017: Journal of Adhesive Dentistry
https://www.readbyqxmd.com/read/29234754/durability-of-resin-bonding-to-lithium-disilicate-and-zirconia-ceramic-using-a-self-etching-primer
#7
Sebastian Wille, Frank Lehmann, Matthias Kern
PURPOSE: The purpose of this in vitro study was twofold: 1. To evaluate the surface conditioning effect of a self-etching ceramic primer on lithium disilicate and zirconia ceramics; (2) to study the bond durability provided by the self-etching ceramic primer after artificial aging compared with conventional ceramic conditioning methods. MATERIALS AND METHODS: Lithium disilicate blocks (10 × 10 mm, 3.4 mm thick) and zirconia disks (8 mm diameter, 3.4 mm thick) were each divided into two groups...
December 12, 2017: Journal of Adhesive Dentistry
https://www.readbyqxmd.com/read/29234138/effect-of-high-power-laser-with-and-without-graphite-coating-on-bonding-of-resin-cement-to-lithium-disilicate-ceramic
#8
Fernanda A Feitosa, Rodrigo M de Araújo, Franklin R Tay, Lina Niu, César R Pucci
The present study evaluated the effect of different high-power-laser surface treatments on the bond strength between resin cement and disilicate ceramic. Lithium disilicate ceramic specimens with truncated cones shape were prepared and divided into 5 groups: HF (hydrofluoric acid-etching), Er:YAG laser + HF, Graphite + Er:YAG laser + HF, Nd:YAG laser + HF, and Graphite + Nd:YAG laser + HF. The treated ceramic surfaces were characterized with scanning electron microscopy and surface roughness measurement...
December 12, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29233540/smear-layer-deproteinizing-improves-bonding-of-one-step-self-etch-adhesives-to-dentin
#9
Ornnicha Thanatvarakorn, Taweesak Prasansuttiporn, Suppason Thittaweerat, Richard M Foxton, Shizuko Ichinose, Junji Tagami, Keiichi Hosaka, Masatoshi Nakajima
OBJECTIVES: Smear layer deproteinizing was proved to reduce the organic phase of smear layer covered on dentin surface. It was shown to eliminate hybridized smear layer and nanoleakage expression in resin-dentin bonding interface of two-step self-etch adhesive. This study aimed to investigate those effects on various one-step self-etch adhesives. METHODS: Four different one-step self-etch adhesives were used in this study; SE One (SE), Scotchbond™ Universal (SU), BeautiBond Multi (BB), and Bond Force (BF)...
December 9, 2017: Dental Materials: Official Publication of the Academy of Dental Materials
https://www.readbyqxmd.com/read/29233245/occupational-specific-strength-predicts-astronaut-related-task-performance-in-a-weighted-suit
#10
Andrew Taylor, Christopher J Kotarsky, Colin W Bond, Kyle J Hackney
BACKGROUND: Future space missions beyond low Earth orbit will require deconditioned astronauts to perform occupationally relevant tasks within a planetary spacesuit. The prediction of time-to-completion (TTC) of astronaut tasks will be critical for crew safety, autonomous operations, and mission success. This exploratory study determined if the addition of task-specific strength testing to current standard lower body testing would enhance the prediction of TTC in a 1-G test battery. METHODS: Eight healthy participants completed NASA lower body strength tests, occupationally specific strength tests, and performed six task simulations (hand drilling, construction wrenching, incline walking, collecting weighted samples, and dragging an unresponsive crewmember to safety) in a 48-kg weighted suit...
January 1, 2018: Aerospace Medicine and Human Performance
https://www.readbyqxmd.com/read/29233187/graphene-based-dental-adhesive-with-anti-biofilm-activity
#11
Agnese Bregnocchi, Elena Zanni, Daniela Uccelletti, Fabrizio Marra, Domenico Cavallini, Francesca De Angelis, Giovanni De Bellis, Maurizio Bossù, Gaetano Ierardo, Antonella Polimeni, Maria Sabrina Sarto
BACKGROUND: Secondary caries are considered the main cause of dental restoration failure. In this context, anti-biofilm and bactericidal properties are desired in dental materials against pathogens such as Streptococcus mutans. To this purpose, graphene based materials can be used as fillers of polymer dental adhesives. In this work, we investigated the possibility to use as filler of dental adhesives, graphene nanoplatelets (GNP), a non toxic hydrophobic nanomaterial with antimicrobial and anti-biofilm properties...
December 12, 2017: Journal of Nanobiotechnology
https://www.readbyqxmd.com/read/29232512/direct-anionic-effect-on-water-structure-and-indirect-anionic-effect-on-peptide-backbone-hydration-state-revealed-by-thin-layer-infrared-spectroscopy
#12
Juan Zhao, Jianping Wang
In this work, anionic effect on water structure and on peptide backbone and water interaction was investigated directly in aqueous solution using thin-layer transmission infrared spectroscopy. The chaotropic anions were found to weaken the water hydrogen-bonding strength and red shift the HOH bending frequency, while the kosmotropic anions were found to strengthen the water hydrogen-bonding network and blue shift the HOH bending frequency. The kosmotropes, especially F-, blue shift the vibrational frequencies of both amide-II and amide-III bands of N-methylacetamide (NMA), indicating NMA is in the "salting-in" state; while the chaotropes (Cl-, NO3-, Br-, I-, and SCN-) red shift the frequencies of the two normal modes, indicating NMA is in the "salting-out" state...
December 12, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29232137/inhibition-of-human-cyp3a4-by-rationally-designed-ritonavir-like-compounds-impact-and-interplay-of-the-side-group-functionalities
#13
Eric R Samuels, Irina Sevrioukova
Structure-function relationships of nine rationally designed ritonavir-like compounds were investigated to better understand the ligand binding and inhibitory mechanism in human drug-metabolizing cytochrome P450 3A4 (CYP3A4). The analogs had a similar backbone and pyridine and tert-butyloxycarbonyl (Boc) as the heme-ligating and terminal groups, respectively. N-Isopropyl, N-cyclopentyl, or N-phenyl were the R1-side group substituents alone (compounds 5a-c) or in combination with phenyl or indole at the R2 position (8a-c and 8d-f subseries, respectively)...
December 12, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/29230541/theoretical-and-experimental-investigation-into-a-eutectic-system-of-3-4-dinitropyrazole-and-1-methyl-3-4-5-trinitropyrazole
#14
Shuang-Fei Zhu, Shu-Hai Zhang, Rui-Jun Gou, Fu-de Ren
Eutectic mixtures of 3,4-dinitropyrazole (DNP) and 1-methyl-3,4,5-trinitropyrazole (MTNP) were investigated by theoretical and experimental methods. The mass ratio of DNP and MTNP ranged from 0:100 to 100:0. Melting points of the mixtures were predicted through observing the inflection point of a specific volume vs. temperature in molecular dynamics (MD) simulation. The results are in good agreement with experimental results obtained from the differential scanning calorimeter (DSC) study. The binding energy of a 50/50 DNP/MTNP eutectic mixture is lower than those of other mixtures, in accordance with the common sense that the melting point of materials is linked to the strength of intermolecular interactions...
December 11, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29229853/designing-flexible-2d-transition-metal-carbides-with-strain-controllable-lithium-storage
#15
Hang Zhang, Zhongheng Fu, Ruifeng Zhang, Qianfan Zhang, Hongzhen Tian, Dominik Legut, Timothy C Germann, Yuanqi Guo, Shiyu Du, Joseph S Francisco
Efficient flexible energy storage systems have received tremendous attention due to their enormous potential applications in self-powering portable electronic devices, including roll-up displays, electronic paper, and "smart" garments outfitted with piezoelectric patches to harvest energy from body movement. Unfortunately, the further development of these technologies faces great challenges due to a lack of ideal electrode materials with the right electrochemical behavior and mechanical properties. MXenes, which exhibit outstanding mechanical properties, hydrophilic surfaces, and high conductivities, have been identified as promising electrode material candidates...
December 11, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29229525/examining-water-in-model-membranes-by-near-infrared-spectroscopy-and-multivariate-analysis
#16
Jorge J Wenz
By exploiting the sensitivity of the NIR spectrum, particularly the first overtone of water, to the number and strength of hydrogen bonds, the hydrogen bond network and water polymerization in membranes of DMPA (1,2-dimyristoyl-sn-glycero-3-phosphate) and DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine) was investigated as a function of the temperature and the presence of this two phospholipids having the same tail but different polar head. Principal components analysis performed on the spectra was used to disclose subtle spectral changes that mirror the alteration of the vibrational energy of the water O-H bonds, as a measure of the H-bond network...
December 8, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/29229460/effect-of-low-surface-tension-edta-solutions-on-the-bond-strength-of-resin-based-sealer-to-young-and-old-root-canal-dentin
#17
Cigdem Güzel, Emel Uzunoglu, Hatice Dogan Buzoglu
INTRODUCTION: The purpose of this study was to evaluate the effect of low-surface tension EDTA solutions on the push-out bond strength of resin-based sealer to young and old root canal dentin. METHODS: Root canals from 64 (n = 32 age <30 years old and n = 32 >60 years old) extracted, decoronized, single-rooted human teeth were prepared with ProTaper rotary instruments (Dentsply Maillefer, Ballaigues, Switzerland) up to size F4 using 3 mL 2.5% sodium hypochlorite (NaOCl) between each file...
December 8, 2017: Journal of Endodontics
https://www.readbyqxmd.com/read/29228767/revealing-electron-electron-interactions-within-lewis-pairs-in-chemical-systems
#18
Adam Jonathan Proud, Brendan James Henry Sheppard, Jason Kenneth Pearson
The so-called "Lewis Pair" is a ubiquitous phenomenon in chemistry and is often used as an intuitive construct to predict and rationalize chemical structure and behaviour. Concepts from the very general Valence Shell Electron Pair Repulsion (VSEPR) model to the most esoteric reaction mechanism routinely rely on the notion that electrons tend to exist in pairs and that these pairs can be thought of as being localized to a particular region of space. It is precisely this localization that allows one to intuit how these pairs might behave, generally speaking, so that reasonable predictions may be made regarding molecular structure, intermolecular interactions, property trends, and reaction mechanisms, etc...
December 11, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29225639/the-effect-of-bc-sealer-ah-plus-and-dorifill-on-push-out-bond-strength-of-fiber-post
#19
Fatemeh Dibaji, Elahe Mohammadi, Farzaneh Farid, Fatemeh Mohammadian, Pegah Sarraf, Mohammad Javad Kharrazifard
Introduction: Dentinal canal walls are in direct contact with endodontic sealers prior to post space preparation and luting cements after post space preparation. This direct contact may affect the bond strength of intraradicular posts to root dentin. This study aimed to assess the effect of three different sealers on the bond strength of fiber posts to root dentin. Methods and Materials: The canals of 56 extracted single-rooted human premolars after selection and decoronation were prepared...
2017: Iranian Endodontic Journal
https://www.readbyqxmd.com/read/29225638/the-probable-effect-of-irrigation-solution-and-time-on-bond-strength-to-coronal-dentin-an-in-vitro-evaluation
#20
Fatemeh Mokhtari, Ehsan Anvar, Mostafa Mirshahpanah, Hamidreza Hemati, Alireza Danesh Kazemi
Introduction: The aim of this study was to evaluate the effect of root canal irrigants on the microtensile bond strength of 2-step self-etch adhesive to dentin. Methods and Materials: n this study 36 sound extracted human third molars were used. After grinding 3 mm of occlusal surface, teeth were randomly divided into 6 groups based on irrigation material naming normal saline, 5.25% sodium hypochlorite (NaOCl) and 2% chlorhexidine (CHX) and also irrigation time (5 or 30 min)...
2017: Iranian Endodontic Journal
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