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https://www.readbyqxmd.com/read/30315588/hybrid-density-functional-study-on-the-electronic-structures-and-properties-of-p3ht-pbs-and-p3ht-cds-hybrid-interface-for-photovoltaic-applications
#1
Thao P Nguyen, Ji Hoon Shim
The efficiency of charge transport mainly depends on the interfacial energy level alignment between the conjugated polymer and the inorganic substrate. It provides an accurate understanding, predicting as well as controlling the optimal power conversion efficiency of various type of hybrid photovoltaic systems. In this article, we use hybrid functional (HSE06) to study the electronic structures and properties at the interface of poly(3-hexylthiophene)(P3HT)/CdS and P3HT/PbS for solar cell applications. We found that the dangling bonds at the inorganic surface introduce in-gap states and greatly reduce the device performance...
September 15, 2018: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/30314108/revision-of-the-genera-cyphonethes-verhoeff-1926-and-titanethes-schioedte-1849-isopoda-oniscoidea-trichoniscidae-with-a-description-of-a-new-genus-and-three-new-taxa
#2
Ivo M Karaman, Mladen HorvatoviĆ
A taxonomic study of two troglobite genera resulted in remarkable changes to their composition and our perception of their relationship. The genus Titanethes is treated as monotypic, with one newly described taxon, Titanethes albus matovici n. ssp. One species is transferred from Titanethes to the genus Cyphonethes, Cyphonethes biseriatus (Verhoeff, 1900) comb. nov. A species and a genus are synonymized, Microtitanethes licodrensis syn. nov. The diagnosis of the genus Cyphonethes is amended and revised using comparative morphology of adult males...
August 15, 2018: Zootaxa
https://www.readbyqxmd.com/read/30310173/growth-and-superconductivity-of-niobium-titanium-alloy-thin-films-on-strontium-titanate-001-single-crystal-substrates-for-superconducting-joints
#3
Yuhei Shimizu, Kazuhiko Tonooka, Yoshiyuki Yoshida, Mitsuho Furuse, Hiroshi Takashima
Aiming to introduce NbTi alloy superconducting joints for REBa2 Cu3 O7-δ (REBCO, RE: rare-earth element) superconducting wires, NbTi alloy thin films were deposited at room temperature on SrTiO3 (STO) (001) single-crystal substrates, which have a high lattice matching with REBCO (001). The strain, crystallinity, surface morphology, and superconducting property of the films with various thicknesses were investigated. The NbTi films grew in the orientation with (110)NbTi//(001)STO:[001]NbTi and [11-0] NbTi//[100]STO; that is, the NbTi lattices had two directions in the (110) of NbTi...
October 11, 2018: Scientific Reports
https://www.readbyqxmd.com/read/30308421/two-dimensional-oriented-growth-of-zn-mof-on-zr-mof-architecture-a-highly-sensitive-and-selective-platform-for-detecting-cancer-markers
#4
Nan Zhou, Fangfang Su, Chuanpan Guo, Linghao He, Zhankui Jia, Minghua Wang, Qiaojuan Jia, Zhihong Zhang, Siyu Lu
Fabricating novel bimetallic metal organic framework (MOF) architectures and exploiting them as aptasensor scaffolds for detecting diverse analytes, especially cancer markers, have aroused widespread research attention. Herein, we report a novel strategy for obtaining ZnZr bimetallic MOFs via the MOF-on-MOF method and exploit them as an aptasensor platform for detecting the cancer marker protein tyrosine kinase-7 (PTK7). Basic characterizations reveal that the chemical structure, crystalline properties, and surface functionality of bimetallic ZnZr-MOFs can be modulated by changing the order of addition of metal precursors and organic ligands...
September 22, 2018: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/30308159/recurring-and-adaptable-binding-motifs-in-broadly-neutralizing-antibodies-to-influenza-virus-are-encoded-on-the-d3-9-segment-of-the-ig-gene
#5
Nicholas C Wu, Seiya Yamayoshi, Mutsumi Ito, Ryuta Uraki, Yoshihiro Kawaoka, Ian A Wilson
Discovery and characterization of broadly neutralizing antibodies (bnAbs) to the influenza hemagglutinin (HA) stem have provided insights for the development of a universal flu vaccine. Identification of signature features common to bnAbs from different individuals will be key to guiding immunogen design. S9-3-37 is a bnAb isolated from a healthy H5N1 vaccinee. Here, structural characterization reveals that the D3-9 gene segment of S9-3-37 contributes most of the interaction surface with the highly conserved stem epitope on HA...
October 10, 2018: Cell Host & Microbe
https://www.readbyqxmd.com/read/30307189/structure-formation-and-surface-chemistry-of-ionic-liquids-on-model-electrode-surfaces-model-studies-for-the-electrode-electrolyte-interface-in-li-ion-batteries
#6
Florian Buchner, Benedikt Uhl, Katrin Forster-Tonigold, Joachim Bansmann, Axel Groß, R Jürgen Behm
Ionic liquids (ILs) are considered as attractive electrolyte solvents in modern battery concepts such as Li-ion batteries. Here we present a comprehensive review of the results of previous model studies on the interaction of the battery relevant IL 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([BMP]+ [TFSI]- ) with a series of structurally and chemically well-defined model electrode surfaces, which are increasingly complex and relevant for battery applications [Ag(111), Au(111), Cu(111), pristine and lithiated highly oriented pyrolytic graphite (HOPG), and rutile TiO2 (110)]...
May 21, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/30306892/ankle-morphometry-based-on-computerized-tomography
#7
Leif Claassen, Philipp Luedtke, Daiwei Yao, Sarah Ettinger, Kiriakos Daniilidis, Andrej M Nowakowski, Magdalena Mueller-Gerbl, Christina Stukenborg-Colsman, Christian Plaass
BACKGROUND: Thorough understanding of the morphometry of the ankle joint is crucial to optimize conservative and operative therapy of ankle joint disorders. Despite recent improvements, basic anatomic and biomechanical correlations of the ankle joint including the orientation of the ankle joint axis and joint morphology as its key biomechanical features are not sufficiently recorded to date. The aim of this study was the evaluation of the ankle morphometry to gain information about the ankle joint axis...
August 13, 2018: Foot and Ankle Surgery: Official Journal of the European Society of Foot and Ankle Surgeons
https://www.readbyqxmd.com/read/30306891/the-geometrical-axis-of-the-talocrural-joint-suggestions-for-a-new-measurement-of-the-talocrural-joint-axis
#8
Leif Claassen, Philipp Luedtke, Daiwei Yao, Sarah Ettinger, Kiriakos Daniilidis, Andrej M Nowakowski, Magdalena Mueller-Gerbl, Christina Stukenborg-Colsman, Christian Plaass
BACKGROUND: Despite intensive research there is no consensus about the talocrural joint axis. The aim of the present study is a new method to determinate the geometric rotational axis of the talocrural joint. METHODS: We analyzed 98 CT-scans of full cadaver Caucasian legs. We generated three-dimensional reconstruction models of the talus. A best fitting cone was orientated to the talar articular surface. The geometric rotational axis was defined to be the axis of this cone...
February 10, 2018: Foot and Ankle Surgery: Official Journal of the European Society of Foot and Ankle Surgeons
https://www.readbyqxmd.com/read/30306493/implant-orientation-measurement-after-tha-using-the-eos-x-ray-image-acquisition-system
#9
Kunihiko Tokunaga, Masashi Okamoto, Kenji Watanabe
We investigated the accuracy of measuring implant orientation after THA in standing position using EOS system (EOS Imaging Inc., Paris, France). Ninety patients who underwent THA were subjected to this study by comparing angles measured by EOS system and those measured from CT scans using 3D image analyzing software, ZedHip (LEXI, Tokyo, Japan). The radiographic cup inclination and anatomical cup anteversion were measured with respect to the anterior pelvic plane (APP) coordinate. The femoral stem antetorsion was analyzed by measuring the angles between the stem neck axis and the post-condylar axis in the femoral functional axis coordinate...
2018: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/30306478/a-novel-ultrasound-based-lower-extremity-motion-tracking-system
#10
Kenan Niu, Victor Sluiter, Jasper Homminga, André Sprengers, Nico Verdonschot
Tracking joint motion of the lower extremity is important for human motion analysis. In this study, we present a novel ultrasound-based motion tracking system for measuring three-dimensional (3D) position and orientation of the femur and tibia in 3D space and quantifying tibiofemoral kinematics under dynamic conditions. As ultrasound is capable of detecting underlying bone surface noninvasively through multiple layers of soft tissues, an integration of multiple A-mode ultrasound transducers with a conventional motion tracking system provides a new approach to track the motion of bone segments during dynamic conditions...
2018: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/30306237/tip-enhanced-raman-spectroscopy-principles-practice-and-applications-to-nanospectroscopic-imaging-of-2d-materials
#11
REVIEW
Feng Shao, Renato Zenobi
Two-dimensional (2D) materials have been one of the most extensively studied classes of modern materials, due to their astonishing chemical, optical, electronic, and mechanical properties, which are different from their bulk counterparts. The edges, grain boundaries, local strain, chemical bonding, molecular orientation, and the presence of nanodefects in these 2D monolayers (MLs) will strongly affect their properties. Currently, it is still challenging to investigate such atomically thin 2D monolayers with nanoscale spatial resolution, especially in a label-free and non-destructive way...
October 10, 2018: Analytical and Bioanalytical Chemistry
https://www.readbyqxmd.com/read/30305618/a-growing-bacterial-colony-in-two-dimensions-as-an-active-nematic
#12
D Dell'Arciprete, M L Blow, A T Brown, F D C Farrell, J S Lintuvuori, A F McVey, D Marenduzzo, W C K Poon
How a single bacterium becomes a colony of many thousand cells is important in biomedicine and food safety. Much is known about the molecular and genetic bases of this process, but less about the underlying physical mechanisms. Here we study the growth of single-layer micro-colonies of rod-shaped Escherichia coli bacteria confined to just under the surface of soft agarose by a glass slide. Analysing this system as a liquid crystal, we find that growth-induced activity fragments the colony into microdomains of well-defined size, whilst the associated flow orients it tangentially at the boundary...
October 10, 2018: Nature Communications
https://www.readbyqxmd.com/read/30305351/structure-based-classification-defines-the-discrete-conformational-classes-adopted-by-the-arenaviral-gp1
#13
Rhys Pryce, Weng M Ng, Antra Zeltina, Yasunori Watanabe, Kamel El Omari, Armin Wagner, Thomas A Bowden
The emergence of Old and New World arenaviruses from rodent reservoirs persistently threatens human health. The GP1 subunit of the envelope-displayed arenaviral glycoprotein spike complex, GPC, mediates host-cell recognition and is an important determinant of cross-species transmission. Previous structural analyses of Old World arenaviral GP1 glycoproteins, alone and in complex with a cognate GP2 subunit, have revealed that GP1 adopts two distinct conformational states, distinguished by differences in orientation of helical regions of the molecule...
October 10, 2018: Journal of Virology
https://www.readbyqxmd.com/read/30303392/solid-state-31p-nuclear-magnetic-resonance-study-of-interlayer-hydroxide-surfaces-of-kaolinite-probed-with-an-interlayer-triethylphosphine-oxide-monolayer
#14
Shingo Machida, Minoru Sohmiya, Yusuke Ide, Yoshiyuki Sugahara
The solid acidity of the interlayer hydroxide surfaces of kaolinite was explored by solid-state 31P nuclear magnetic resonance with magic angle spinning (MAS) using triethylphosphine oxide (TEPO), which formed a monolayer with a uniform orientation between the layers of kaolinite as a probe molecule. Intercalation of TEPO between the layers of kaolinite was achieved using methoxy-modified kaolinite as an intermediate. The presence of TEPO in the reaction products was revealed by the two signals at 21 and 7 ppm, which were assignable to ethyl groups in TEPO, in solid-state 13C nuclear magnetic resonance with cross polarization and magic angle spinning techniques (13C CP/MAS NMR)...
October 10, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/30300820/360%C3%A2-multiparametric-imaging-atomic-force-microscopy-a-method-for-three-dimensional-nanomechanical-mapping
#15
Haojian Lu, Yongbing Wen, Hao Zhang, Hui Xie, Yajing Shen
Atomic Force Microscopy (AFM) has been intensively used for imaging, characterization and manipulation at the micro- and nanoscale. Taking into account that the material is usually anisotropic, it needs to be characterized in various regions and orientations. Although recent advances of AFM techniques have allowed for large area scan of the sample on a two-dimensional plane, mapping a three-dimensional (3D) sample at a full orientation of 360° remains challenge. This paper reports a multiparametric imaging atomic force microscope via robot technique for 360° mapping and 3D reconstruction of the sample's topography and nanomechanical properties...
September 21, 2018: Ultramicroscopy
https://www.readbyqxmd.com/read/30298609/vertical-step-growth-polymerization-driven-by-electrochemical-stimuli-from-electrode
#16
Jian Zhang, Jia Du, Jinxin Wang, Yangfang Wang, Chang Wei, Mao Li
We presented here that vertical step-growth polymerization of monomer A-B via individual A-A or B-B coupling driven by electrochemically switching positive and negative bias on self-assembled A or B electrode. In particular, monomer is Ru(II)(bda)AB (bda = 2,2'-bipyridine-6,6'-dicarboxylate), where A and B are pyridines with pendant carbazolyl and vinyl, which can be dimerized at oxidative potential (ca. 1.0 V vs. Ag/Ag+) and reductive potential (ca. -1.8 V), respectively. Self-assembled monolayers on ITO glass are Ru(II)(bda)PA or Ru(II)(bda)PB (P = pyridine with pendant phosphonic acid)...
October 8, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/30297671/one-step-fabrication-of-three-dimensional-fibrous-collagen-based-macrostructure-with-high-water-uptake-capability-by-coaxial-electrospinning
#17
Zahra Bazrafshan, George K Stylios
One step fabrication of the three dimension (3D) fibrous structure of Collagen-g-poly(MMA-co-EA)/Nylon6 was investigated by controlling the experimental conditions during coaxial electrospinning. This 3D fibrous structure is the result of interactions of two polymeric systems with a varied capability to be electrostatically polarized under the influence of the external electric field; the solution with the higher conductivity into the inner spinneret and the solution with the lesser conductivity into the outer capillary of the coaxial needle...
October 8, 2018: Nanomaterials
https://www.readbyqxmd.com/read/30297658/characteristics-of-graphene-oxide-films-reduced-by-using-an-atmospheric-plasma-system
#18
Chii-Rong Yang, Shih-Feng Tseng, Yu-Ting Chen
The chemical oxidation method can be used to mass-produce graphene oxides (GOs) from highly oriented pyrolytic graphite. However, numerous oxygen-containing functional groups (hydroxyl, epoxy, carbonyl, etc.) exist in typical GO surfaces, resulting in serious electrical losses. Hence, GO must be processed into reduced graphene oxide (rGO) by the removal of most of the oxygen-containing functional groups. This research concentrates on the reduction efficiency of GO films that are manufactured using atmospheric-pressure and continuous plasma irradiation...
October 8, 2018: Nanomaterials
https://www.readbyqxmd.com/read/30295451/self-regenerating-soft-biophotovoltaic-devices
#19
Xinkai Qiu, Olga E Castañeda Ocampo, Hendrik Wessel de Vries, Maikel van Putten, Mark Loznik, Andreas Herrmann, Ryan C Chiechi
This paper describes the fabrication of soft, stretchable bio-photovoltaic devices that generate photocurrent from photosystem I (PSI) complexes that are self-assembled onto Au electrodes with a preferred orientation. Charge is collected by the direct injection of electrons into the Au electrode and the transport of holes through a redox couple to liquid eutectic Ga-In (EGaIn) electrodes that are confined to microfluidic pseudo-channels by arrays of posts. The pseudo-channels are defined in a single fabrication step that leverages the non-Newtonian rheology of EGaIn...
October 8, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/30294898/direct-measurement-of-electronic-band-structure-in-single-quantum-dots-of-metal-chalcogenide-composites
#20
Daniele Benetti, Daling Cui, Haiguang Zhao, Federico Rosei, Alberto Vomiero
Metal chalcogenide quantum dots (QDs) are among the most promising materials as light harvesters in all-inorganic systems for applications in solar cells and production of solar fuels. The electronic band structure of composite QDs formed by lead and cadmium chalcogenides directly grafted on highly oriented pyrolytic graphite surfaces through successive ionic layer absorption and reaction is investigated. Atomic force microscopy and Kelvin probe force microscopy (KPFM) are applied to investigate PbS, CdS, and PbS/CdS QD systems...
October 7, 2018: Small
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