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https://www.readbyqxmd.com/read/28723223/free-energy-of-binding-and-mechanism-of-interaction-for-the-meevd-tpr2a-peptide-protein-complex
#1
Mauro Lapelosa
The association between the MEEVD C-terminal peptide from the heat shock protein 90 (Hsp90) and tetratricopeptide repeat A (TPR2A) domain of the heat shock organizing protein (Hop) is a useful prototype to study the fundamental molecular details about the Hop-Hsp90 interaction. We study here the mechanism of binding/unbinding, and compute the standard binding free energy and potential of mean force for the association of the MEEVD peptide to the TPR2A domain using the Adaptive Biasing Force (ABF) methodology...
July 19, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28723185/silanization-of-sapphire-surfaces-for-optical-sensing-applications
#2
Tanja Sandner, Annina M Steinbach, Peter Knittel, Thomas Diemant, R Jürgen Behm, Steffen Strehle, Christine Kranz, Boris Mizaikoff
Well-characterized silane layers are essential for optimized attachment of (bio)molecules enabling reliable chem/biosensor performance. Herein, binding properties and orientation of 3-mercaptopropyltrimethoxysilane layers at crystalline sapphire (0001) surfaces were determined by water contact angle measurements, infrared reflection absorption spectroscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. Infrared reflection absorption spectroscopy measurements suggest an almost perpendicular arrangement of the MPTMS molecules to the substrate surface...
April 28, 2017: ACS Sensors
https://www.readbyqxmd.com/read/28722421/capillary-rise-validity-of-the-dynamic-contact-angle-models
#3
Pingkeng Wu, Alex D Nikolov, Darsh T Wasan
The classical Lucas-Washburn-Rideal (LWR) equation, using the equilibrium contact angle, predicts a faster capillary rise process than experiments in many cases. The major contributor to the faster prediction is believed to be the velocity dependent dynamic contact angle. In this work, we investigated the dynamic contact angle models for their ability to correct the dynamic contact angle effect in the capillary rise process. We conducted capillary rise experiments of various wetting liquids in borosilicate glass capillaries and compared the model predictions with our experimental data...
July 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28721454/intra-individual-variation-in-hand-postures-during-terrestrial-locomotion-in-japanese-macaques-macaca-fuscata
#4
Yasuo Higurashi, Ryosuke Goto, Hiroo Kumakura
The primate hand adopts a variety of postures during locomotion. Habitually terrestrial cercopithecine primates are known to use a palmigrade posture at faster speeds to possibly mitigate stresses on the hand skeleton; however, it is unclear whether arboreal or semi-terrestrial species use a similar strategy for adjusting hand posture. Here, we explored intra-individual variation in hand contact patterns during terrestrial locomotion in the Japanese macaque (Macaca fuscata), a semi-terrestrial cercopithecine primate...
July 18, 2017: Primates; Journal of Primatology
https://www.readbyqxmd.com/read/28720340/mechanical-strength-and-fracture-point-of-a-dental-implant-under-certification-conditions-a-numerical-approach-by-finite-element-analysis
#5
Guillermo de la Rosa Castolo, Sonia V Guevara Perez, Pierre-Jean Arnoux, Laurent Badih, Franck Bonnet, Michel Behr
STATEMENT OF PROBLEM: Implant prosthodontics provides high-quality outcomes thanks to recent technological developments and certification procedures such as International Organization for Standardization (ISO) standard 14801. However, these certification tests are costly, and the result is highly uncertain as the influence of design variables (materials and structure) is still unknown. The design process could be significantly improved if the influence of design parameters were identified...
July 15, 2017: Journal of Prosthetic Dentistry
https://www.readbyqxmd.com/read/28719187/exploring-the-role-of-habitat-on-the-wettability-of-cicada-wings
#6
Junho Oh, Catherine Dana, Sungmin Hong, Jessica K Roman, Kyoo D Jo, Je W Hong, Jonah Nguyen, Donald M Cropek, Marianne Alleyne, Nenad Miljkovic
Evolutionary pressure has pushed the wings of many insect species to develop micro/nanostructures that can significantly affect wettability and enable functionalities such as droplet jumping, self-cleaning, anti-fogging, anti-microbial, and anti-reflectivity. Significant effort is underway to understand the wing surface structure to establish rational design tools for the development of novel engineered materials. Most studies, however, have focused on superhydrophobic wings obtained from a single insect species, in particular, the Psaltoda claripennis cicada...
July 18, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28719182/atomic-white-out-enabling-atomic-circuitry-through-mechanically-induced-bonding-of-single-hydrogen-atoms-to-a-silicon-surface
#7
Taleana Rochelle Huff, Hatem Labidi, Mohammad Rashidi, Mohammad Koleini, Roshan Achal, Mark Henry Salomons, Robert A Wolkow
We report the mechanically induced formation of a silicon-hydrogen covalent bond and its application in engineering nanoelectronic devices. We show that using the tip of a non-contact atomic force microscope (NC-AFM), a single hydrogen atom could be vertically manipulated. When applying a localized electronic excitation, a single hydrogen atom is desorbed from the hydrogen passivated surface and can be transferred to the tip apex as evidenced from a unique signature in frequency shift curves. In the absence of tunnel electrons and electric field in the scanning probe microscope junction at 0 V, the hydrogen atom at the tip apex is brought very close to a silicon dangling bond, inducing the mechanical formation of a silicon-hydrogen covalent bond and the passivation of the dangling bond...
July 18, 2017: ACS Nano
https://www.readbyqxmd.com/read/28716887/cell-cell-contact-and-receptor-tyrosine-kinase-signaling
#8
Christine Chiasson-MacKenzie, Andrea I McClatchey
The behavior of cells within tissues is governed by the activities of adhesion receptors that provide spatial cues and transmit forces through intercellular junctions, and by growth-factor receptors, particularly receptor tyrosine kinases (RTKs), that respond to biochemical signals from the environment. Coordination of these two activities is essential for the patterning and polarized migration of cells during morphogenesis and for homeostasis in mature tissues; loss of this coordination is a hallmark of developing cancer and driver of metastatic progression...
July 17, 2017: Cold Spring Harbor Perspectives in Biology
https://www.readbyqxmd.com/read/28715848/patient-outcomes-in-dose-reduction-or-discontinuation-of-long-term-opioid-therapy-a-systematic-review
#9
Joseph W Frank, Travis I Lovejoy, William C Becker, Benjamin J Morasco, Christopher J Koenig, Lilian Hoffecker, Hannah R Dischinger, Steven K Dobscha, Erin E Krebs
Background: Expert guidelines recommend reducing or discontinuing long-term opioid therapy (LTOT) when risks outweigh benefits, but evidence on the effect of dose reduction on patient outcomes has not been systematically reviewed. Purpose: To synthesize studies of the effectiveness of strategies to reduce or discontinue LTOT and patient outcomes after dose reduction among adults prescribed LTOT for chronic pain. Data Sources: MEDLINE, EMBASE, PsycINFO, CINAHL, and the Cochrane Library from inception through April 2017; reference lists; and expert contacts...
July 18, 2017: Annals of Internal Medicine
https://www.readbyqxmd.com/read/28715542/simultaneous-analysis-of-elastic-and-non-specific-adhesive-properties-of-thin-sample-and-biological-cell-considering-bottom-substrate-effect
#10
Viswanath Managuli, Sitikantha Roy
A new asymptotically correct contact model has been developed for conical tip based AFM nanoindentation. This new model provides both elastic and non-specific adhesion properties of cells and soft gels by taking sample thickness at the point of indentation and its depth of indentation into consideration. The bottom substrate effect is the most common source of error in the study of "AFM force maps" of the cellular sample. The present model incorporates an asymptotically correct correction term as a function of depth of indentation to eliminate the substrate effect in the analysis...
July 17, 2017: Journal of Biomechanical Engineering
https://www.readbyqxmd.com/read/28715171/limitations-of-structural-superlubricity-chemical-bonds-versus-contact-size
#11
Dirk Dietzel, Ján Brndiar, Ivan Štich, André Schirmeisen
Structural superlubricity describes the state of virtually frictionless sliding if two atomically flat interfaces are incommensurate, that is, they share no common periodicity. Despite the exciting prospects of this low friction phenomenon, there are physical limitations to the existence of this state. Theory predicts that the contact size is one fundamental limit, where the critical size threshold mainly depends on the interplay between lateral contact compliance and interface interaction energies. Here we provide experimental evidence for this size threshold by measuring the sliding friction force of differently sized antimony particles on MoS2...
July 17, 2017: ACS Nano
https://www.readbyqxmd.com/read/28714464/dynamic-breaking-of-a-single-gold-bond
#12
Ilya V Pobelov, Kasper Primdal Lauritzen, Koji Yoshida, Anders Jensen, Gábor Mészáros, Karsten W Jacobsen, Mikkel Strange, Thomas Wandlowski, Gemma C Solomon
While one might assume that the force to break a chemical bond gives a measure of the bond strength, this intuition is misleading. If the force is loaded slowly, thermal fluctuations may break the bond before it is maximally stretched, and the breaking force will be less than the bond can sustain. Conversely, if the force is loaded rapidly it is more likely that the maximum breaking force is measured. Paradoxically, no clear differences in breaking force were observed in experiments on gold nanowires, despite being conducted under very different conditions...
July 17, 2017: Nature Communications
https://www.readbyqxmd.com/read/28714455/non-contact-lateral-force-microscopy
#13
A J Weymouth
The goal of atomic force microscopy (AFM) is to measure the short-range forces that act between the tip and the surface. The signal recorded, however, includes long-range forces that are often an unwanted background. Lateral force microscopy (LFM) is a branch of AFM in which a component of force perpendicular to the surface normal is measured. If we consider the interaction between tip and sample in terms of forces, which have both direction and magnitude, then we can make a very simple yet profound observation: over a flat surface, long-range forces that do not yield topographic contrast have no lateral component...
July 17, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28714053/the-influence-of-surface-texture-and-wettability-on-initial-bacterial-adhesion-on-titanium-and-zirconium-oxide-dental-implants
#14
Torsten Wassmann, Stefan Kreis, Michael Behr, Ralf Buergers
BACKGROUND: This study aims to investigate bacterial adhesion on different titanium and ceramic implant surfaces, to correlate these findings with surface roughness and surface hydrophobicity, and to define the predominant factor for bacterial adhesion for each material. METHODS: Zirconia and titanium specimens with different surface textures and wettability (5.0 mm in diameter, 1.0 mm in height) were prepared. Surface roughness was measured by perthometer (R a ) and atomic force microscopy, and hydrophobicity according to contact angles by computerized image analysis...
December 2017: International Journal of Implant Dentistry
https://www.readbyqxmd.com/read/28714045/characterization-drug-loading-and-antibacterial-activity-of-nanohydroxyapatite-polycaprolactone-nha-pcl-electrospun-membrane
#15
Mohd Izzat Hassan, Naznin Sultana
Considering the important factor of bioactive nanohydoxyapatite (nHA) to enhance osteoconductivity or bone-bonding capacity, nHA was incorporated into an electrospun polycaprolactone (PCL) membrane using electrospinning techniques. The viscosity of the PCL and nHA/PCL with different concentrations of nHA was measured and the morphology of the electrospun membranes was compared using a field emission scanning electron microscopy. The water contact angle of the nanofiber determined the wettability of the membranes of different concentrations...
August 2017: 3 Biotech
https://www.readbyqxmd.com/read/28713730/application-of-orthodontic-immediate-force-on-dental-implants-histomorphologic-and-histomorphometric-assessment
#16
Mansour Rismanchian, Sayed Hamid Raji, Sayed Mohammad Razavi, Danesh Teimouri Rick, Amin Davoudi
AIMS: Application of force to implants is helpful, especially in orthodontic-implant therapies. The aim of this study was a histomorphologic and histomorphometric evaluation of peri-implant bone after immediate orthodontic and orthopedic forces comparing them with a control group. MATERIALS AND METHODS: Eighteen dental titanium implants were inserted in the premolar region of three dogs. Implants were divided into three groups: (1) group with immediate orthodontic force of 300 NC, (2) group with immediate orthopedic force of 600 NC, and (3) control group...
January 2017: Annals of Maxillofacial Surgery
https://www.readbyqxmd.com/read/28713110/an-innovative-approach-to-retention-thermoplastic-retainer
#17
K A Adam Ozeer, Sumitha A David, Umar Mohamed, P C Sunil, Sam Paul, Parson Paul
AIM: The aim of this study was to design and introduce a retainer that overcomes the common shortcomings seen in other retainers. MATERIALS AND METHODS: Hard thermoplastic sheet of 0.5 mm thickness is vacuum or pressure-molded onto the patient cast. Lingual portion of the retainer is trimmed according to the contours of the anterior teeth. Contact points between the maxillary and mandibular anterior teeth are marked on the retainer and reduced. Punch cut holes are placed on the retainer for the exit of flash and air bubbles while fixation...
July 1, 2017: Journal of Contemporary Dental Practice
https://www.readbyqxmd.com/read/28713050/the-biomechanical-impact-of-the-facet-tropism-on-the-intervertebral-disc-and-facet-joints-in-the-cervical-spine
#18
Xin Rong, Beiyu Wang, Chen Ding, Yuxiao Deng, Hua Chen, Yang Meng, Weijie Yan, Hao Liu
BACKGROUND CONTEXT: The facet tropism is defined as the angular difference between the left and right facet orientation. The facet tropism was suggested to be associated with the disc degeneration and facet degeneration in the lumbar spine. However, little is known about the relationship between the facet tropism and pathological changes in the cervical spine and the mechanism behind. PURPOSE: This study was conducted to investigate the biomechanical impact of the facet tropism on the intervertebral disc and facet joints...
July 13, 2017: Spine Journal: Official Journal of the North American Spine Society
https://www.readbyqxmd.com/read/28713000/discrete-particle-modeling-and-micromechanical-characterization-of-bilayer-tablet-compaction
#19
B Yohannes, M Gonzalez, A Abebe, O Sprockel, F Nikfar, S Kiang, A M Cuitiño
A mechanistic particle scale model is proposed for bilayer tablet compaction. Making bilayer tablets involves the application of first layer compaction pressure on the first layer powder and a second layer compaction pressure on entire powder bed. The bonding formed between the first layer and the second layer particles is crucial for the mechanical strength of the bilayer tablet. The bonding and the contact forces between particles of the first layer and second layer are affected by the deformation and rearrangement of particles due to the compaction pressures...
July 13, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28712529/dynamic-simulation-of-knee-joint-loading-during-gait-using-force-feedback-control-and-surrogate-contact-modelling
#20
Jonathan P Walter, Marcus G Pandy
The aim of this study was to perform multi-body, muscle-driven, forward-dynamics simulations of human gait using a 6-degree-of-freedom (6-DOF) model of the knee in tandem with a surrogate model of articular contact and force control. A forward-dynamics simulation incorporating position, velocity and contact force-feedback control (FFC) was used to track full-body motion capture data recorded for multiple trials of level walking and stair descent performed by two individuals with instrumented knee implants. Tibiofemoral contact force errors for FFC were compared against those obtained from a standard computed muscle control algorithm (CMC) with a 6-DOF knee contact model (CMC6); CMC with a 1-DOF translating hinge-knee model (CMC1); and static optimization with a 1-DOF translating hinge-knee model (SO)...
July 13, 2017: Medical Engineering & Physics
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