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https://www.readbyqxmd.com/read/28226310/adhesion-of-ligand-conjugated-biosynthesized-magnetite-nanoparticles-to-triple-negative-breast-cancer-cells
#1
John D Obayemi, Jingjie Hu, Vanessa O Uzonwanne, Olushola S Odusanya, Karen Malatesta, Nicolas Anuku, Winston O Soboyejo
This paper presents the results of an experimental study of the adhesion forces between components of model conjugated magnetite nanoparticle systems for improved selectivity in the specific targeting of triple negative breast cancer. Adhesion forces between chemically synthesized magnetite nanoparticles (CMNPs), biosynthesized magnetite nanoparticles (BMNPs), as well as their conjugated systems and triple negative breast cancer cells (MDA-MB-231) or normal breast cells (MCF 10A) are elucidated at a nanoscale...
February 6, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/28225066/scanning-tunneling-microscopy-observation-of-phonon-condensate
#2
Igor Altfeder, Andrey A Voevodin, Michael H Check, Sarah M Eichfeld, Joshua A Robinson, Alexander V Balatsky
Using quantum tunneling of electrons into vibrating surface atoms, phonon oscillations can be observed on the atomic scale. Phonon interference patterns with unusually large signal amplitudes have been revealed by scanning tunneling microscopy in intercalated van der Waals heterostructures. Our results show that the effective radius of these phonon quasi-bound states, the real-space distribution of phonon standing wave amplitudes, the scattering phase shifts, and the nonlinear intermode coupling strongly depend on the presence of defect-induced scattering resonance...
February 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28224331/the-interaction-of-ccl4-with-ng-ng%C3%A2-%C3%A2-he-ne-ar-o2-d2o-and-nd3-rovibrational-energies-spectroscopic-constants-and-theoretical-calculations
#3
Rhuiago M de Oliveira, Luiz F Roncaratti, Luiz Guilherme M de Macedo, Ricardo Gargano
This investigation generated rovibrational energies and spectroscopic constants for systems of CCl4 with Ng (Ng = He, Ne, Ar), O2, D2O and ND3 from scattering experimental data, and the results presented are of interest for microwave spectroscopy studies of small halogenated molecules. The rovibrational spectra were obtained through two different approaches (Dunham and DVR) within the improved Lennard Jones (ILJ) model. Spectra were also generated within ordinary Lennard Jones and deviations suggest that the ILJ model should be preferred due to interactions beyond dispersion forces presented in these systems...
March 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28222362/quinazolinone-benzimidazole-conjugates-synthesis-characterization-dihydrofolate-reductase-inhibition-dna-and-protein-binding-properties
#4
Prinka Singla, Vijay Luxami, Kamaldeep Paul
Quinazolinone and benzimidazole represent as important and abundant classes of fused nitrogen-containing heterocycle. A series of two isomeric quinazolinone-benzimidazole conjugates is synthesized and substitutes with different aromatic rings. These compounds are well characterized by (1)H and (13)C NMR as well as mass spectrometry. Compounds are then evaluated by dihydrofolate reductase inhibitory activity. In vitro assay shows that some compounds are exhibiting significant dihydrofolate reductase inhibitory activities...
February 14, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28220998/self-assembly-of-iodine-in-superfluid-helium-droplets-halogen-bonds-and-nanocrystals
#5
Yunteng He, Jie Zhang, Lei Lei, Wei Kong
We present evidence of halogen bond in iodine clusters formed in superfluid helium droplets based on results from electron diffraction. Iodine crystals are known to form layered structures with intralayer halogen bonds, with interatomic distances shorter than the sum of the van der Waals radii of the two neighboring atoms. The diffraction profile of dimer dominated clusters embedded in helium droplets reveals an interatomic distance of 3.65 Å, much closer to the value of 3.5 Å in iodine crystals than to the van der Waals distance of 4...
February 21, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28218508/control-of-surface-and-edge-oxidation-on-phosphorene
#6
Kaci L Kuntz, Rebekah A Wells, Jun Hu, Teng Yang, Baojuan Dong, Huaihong Guo, Adam H Woomer, Daniel L Druffel, Anginelle Alabanza, David Tomanek, Scott C Warren
Phosphorene is emerging as an important two-dimensional semiconductor, but controlling the surface chemistry of phosphorene remains a significant challenge. Here we show that controlled oxidation of phosphorene determines the composition and spatial distribution of the resulting oxide. We used X-ray photoemission spectroscopy to measure the binding energy shifts that accompany oxidation. We interpreted these spectra by calculating the binding energy shift for 24 likely bonding configurations, including phosphorus oxides and hydroxides located on the basal surface or edges of flakes...
February 20, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28217795/understanding-the-microscopic-binding-mechanism-of-hydroxylated-and-sulfated-polybrominated-diphenyl-ethers-with-transthyretin-by-molecular-docking-molecular-dynamics-simulations-and-binding-free-energy-calculations
#7
Huiming Cao, Yuzhen Sun, Ling Wang, Chunyan Zhao, Jianjie Fu, Aiqian Zhang
Polybrominated diphenyl ethers (PBDEs), one typical type of persistent environmental contaminant, have toxicological effects such as disrupting thyroid homeostasis in the human body. The high binding affinities of hydroxylated metabolites of PBDEs (OH-PBDEs) with transthyretin (TTR) were considered to be one major reason for their extraordinary capacity of passing through the blood-brain barrier via competitive thyroid hormone (T4) transport protein binding. Recent findings showed that sulfated PBDEs can be formed in human liver cytosol as phase-II metabolites...
February 20, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28212486/highly-efficient-and-anomalous-charge-transfer-in-van-der-waals-trilayer-semiconductors
#8
Frank Ceballos, Ming-Gang Ju, Samuel D Lane, Xiao Cheng Zeng, Hui Zhao
Two dimensional materials, such as graphene and monolayer transition metal dichalcogenides, allow the fabrication of multilayer structures without lattice matching restriction. A central issue in developing such artificial materials is to understand and control the interlayer electron transfer process, which plays a key role in harvesting their emergent properties. Recent photoluminescence and transient absorption measurements revealed that the electron transfer in hetero-bilayers occurs on ultrafast time scales...
February 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/28211273/sub-bandgap-voltage-electroluminescence-and-magneto-oscillations-in-a-wse2-light-emitting-van-der-waals-heterostructure
#9
Johannes Binder, Freddie Withers, Maciej R Molas, Clement Faugeras, Karol Nogajewski, Kenji Watanabe, Takashi Taniguchi, Aleksey Kozikov, Andre K Geim, Kostya S Novoselov, Marek Potemski
We report on experimental investigations of an electrically driven WSe2 based light-emitting van der Waals heterostructure. We observe a threshold voltage for electroluminescence significantly lower than the corresponding single particle band gap of monolayer WSe2. This observation can be interpreted by considering the Coulomb interaction and a tunneling process involving excitons, well beyond the picture of independent charge carriers. An applied magnetic field reveals pronounced magneto-oscillations in the electroluminescence of the free exciton emission intensity with a 1/B-periodicity...
February 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/28211062/a-new-extension-of-classical-molecular-dynamics-an-electron-transfer-algorithm
#10
Anton Raskovalov
The molecular dynamics is one of the most widely used methods for the simulation of the properties corresponding to ionic motion. Unfortunately, classical molecular dynamics cannot be applied for electron transfer simulation. Suggested modification of the molecular dynamics allows performing the electron transfer from one particle to another during simulation runtime. All additional data structure and the corresponding algorithms are presented in this article. The method can be applied to the systems with pair Van der Waals and Coulomb interactions...
February 16, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28209966/molecular-interplay-between-the-dimer-interface-and-the-substrate-binding-site-of-human-peptidylarginine-deiminase-4
#11
Chien-Yun Lee, Chu-Cheng Lin, Yi-Liang Liu, Guang-Yaw Liu, Jyung-Hurng Liu, Hui-Chih Hung
Our previous studies suggest that the fully active form of Peptidylarginine deiminase 4 (PAD4) should be a dimer and not a monomer. This paper provides a plausible mechanism for the control of PAD4 catalysis by molecular interplay between its dimer-interface loop (I-loop) and its substrate-binding loop (S-loop). Mutagenesis studies revealed that two hydrophobic residues, W347 and V469, are critical for substrate binding at the active site; mutating these two residues led to a severe reduction in the catalytic activity...
February 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28208347/particles-with-nonlinear-electric-response-suppressing-van-der-waals-forces-by-an-external-field
#12
Heino Soo, David S Dean, Matthias Krüger
We study the classical thermal component of Casimir, or van der Waals, forces between point particles with highly anharmonic dipole Hamiltonians when they are subjected to an external electric field. Using a model for which the individual dipole moments saturate in a strong field (a model that mimics the charges in a neutral, perfectly conducting sphere), we find that the resulting Casimir force depends strongly on the strength of the field, as demonstrated by analytical results. For a certain angle between the external field and center-to-center axis, the fluctuation force can be tuned and suppressed to arbitrarily small values...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208292/nanoviscosity-measurements-revealing-domain-formation-in-biomimetic-membranes
#13
Imad Younus Hasan, Adam Mechler
Partitioning of lipid molecules in biomimetic membranes is a model system for the study of naturally occurring domains, such as rafts, in biological membranes. The existence of nanometer scale membrane domains in binary lipid mixtures has been shown with microscopy methods; however, the nature of these domains has not been established unequivocally. A common notion is to ascribe domain separation to thermodynamic phase equilibria. However, characterizing thermodynamic phases of single bilayer membranes has not been possible due to their extreme dimensions: the size of the domains falls to the order of tens to hundreds of nanometers whereas the membrane thickness is only a few nanometers...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28207171/arrayed-van-der-waals-broadband-detectors-for-dual-band-detection
#14
Peng Wang, Shanshan Liu, Wenjin Luo, Hehai Fang, Fan Gong, Nan Guo, Zhi-Gang Chen, Jin Zou, Yan Huang, Xiaohao Zhou, Jianlu Wang, Xiaoshuang Chen, Wei Lu, Faxian Xiu, Weida Hu
An advanced visible/infrared dual-band photodetector with high-resolution imaging at room temperature is proposed and demonstrated for intelligent identification based on 2D GaSe/GaSb vertical heterostructure. It resolves the challenges of producing large-scale 2D growth, achieving fast response speed, outstanding detectivity, and lower manufacture cost, which are the main obstacles for industrialization of 2D-materials-based photodetection.
February 16, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28206768/surface-energy-in-nanocrystalline-carbon-thin-films-effect-of-size-dependence-and-atmospheric-exposure
#15
Manish Kumar, Amjed Javid, Jeon Geon Han
Surface energy (SE) is the most sensitive and fundamental parameter for governing the interfacial interactions in nanoscale carbon materials. However, on account of the involved complexities of hybridizations states and surface-bonds, achieved SE values are often lesser in comparison to their theoretical counterparts and strongly influenced with stability aspects. Here, an advanced facing-target pulsed DC unbalanced magnetron sputtering process is presented for the synthesis of undoped and H/N doped- nanocrystalline carbon thin films...
February 16, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28206764/host-guest-chemistry-at-integrated-porous-space-formed-by-molecular-self-assembly-at-liquid-solid-interfaces
#16
Kohei Iritani, Kazukuni Tahara, Steven De Feyter, Yoshito Tobe
Host-guest chemistry in two-dimensional space, that is physisorbed monolayers of a single atom or a single molecular thickness on surfaces, has become a subject of intense current interest because of perspectives for various applications in molecular-scale electronics, selective sensors, and tailored catalysis. Scanning tunneling microscopy, with which we can visualize molecules in actual space, has been used as a powerful tool. For more than a decade, we have been investigating the self-assembly of a series of triangle-shaped molecules with a phenylene-ethynylene macrocycle, called dehydrobenzo[12]annulenes (DBAs), substituted by six flexible alkyl chains, forming hexagonal porous 2D molecular networks via van der Waals interactions between interdigitated alkyl chains at the interface of organic solvent and graphite...
February 16, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28206759/first-evidence-of-vibrationally-driven-bimolecular-reactions-in-solution-the-reactions-of-br-atoms-with-dimethylsulfoxide-and-methanol
#17
Jae Yoon Shin, Michael A Shaloski, Forrest Fleming Crim, Amanda S Case
We present evidence for vibrational enhancement of the rate of the bimolecular reactions of Br atoms with dimethylsulfoxide (DMSO) and methanol (CH3OH) in the condensed phase. The abstraction of a hydrogen atom from either of these solvents by a Br atom is highly endoergic: 3269 cm(-1) for DMSO and 1416 or 4414 cm(-1) for CH3OH, depending on the hydrogen atom abstracted. Thus, there is no thermal abstraction reaction at room temperature. Broadband electronic transient absorption shows that following photolysis of bromine precursors, Br atoms form van der Waals complexes with the solvent molecules in about 5 ps and this Br(●)-solvent complex undergoes recombination...
February 16, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28202966/stable-colloids-in-molten-inorganic-salts
#18
Hao Zhang, Kinjal Dasbiswas, Nicholas B Ludwig, Gang Han, Byeongdu Lee, Suri Vaikuntanathan, Dmitri V Talapin
A colloidal solution is a homogeneous dispersion of particles or droplets of one phase (solute) in a second, typically liquid, phase (solvent). Colloids are ubiquitous in biological, chemical and technological processes, homogenizing highly dissimilar constituents. To stabilize a colloidal system against coalescence and aggregation, the surface of each solute particle is engineered to impose repulsive forces strong enough to overpower van der Waals attraction and keep the particles separated from each other...
February 15, 2017: Nature
https://www.readbyqxmd.com/read/28202783/evaluation-of-a-complex-healthcare-intervention-to-increase-smoking-cessation-in-pregnant-women-interrupted-time-series-analysis-with-economic-evaluation
#19
Ruth Bell, Svetlana V Glinianaia, Zelda van der Waal, Andrew Close, Eoin Moloney, Susan Jones, Vera Araújo-Soares, Sharon Hamilton, Eugene Mg Milne, Janet Shucksmith, Luke Vale, Martyn Willmore, Martin White, Steven Rushton
OBJECTIVES: To evaluate the effectiveness of a complex intervention to improve referral and treatment of pregnant smokers in routine practice, and to assess the incremental costs to the National Health Service (NHS) per additional woman quitting smoking. DESIGN: Interrupted time series analysis of routine data before and after introducing the intervention, within-study economic evaluation. SETTING: Eight acute NHS hospital trusts and 12 local authority areas in North East England...
February 15, 2017: Tobacco Control
https://www.readbyqxmd.com/read/28201921/generalized-spin-ratio-scaled-mp2-method-for-accurate-prediction-of-intermolecular-interactions-for-neutral-and-ionic-species
#20
Samuel Tan, Santiago Barrera Acevedo, Ekaterina I Izgorodina
The accurate calculation of intermolecular interactions is important to our understanding of properties in large molecular systems. The high computational cost of the current "gold standard" method, coupled cluster with singles and doubles and perturbative triples (CCSD(T), limits its application to small- to medium-sized systems. Second-order Møller-Plesset perturbation (MP2) theory is a cheaper alternative for larger systems, although at the expense of its decreased accuracy, especially when treating van der Waals complexes...
February 14, 2017: Journal of Chemical Physics
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