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https://www.readbyqxmd.com/read/28329756/functional-materials-discovery-using-energy-structure-function-maps
#1
Angeles Pulido, Linjiang Chen, Tomasz Kaczorowski, Daniel Holden, Marc A Little, Samantha Y Chong, Benjamin J Slater, David P McMahon, Baltasar Bonillo, Chloe J Stackhouse, Andrew Stephenson, Christopher M Kane, Rob Clowes, Tom Hasell, Andrew I Cooper, Graeme M Day
Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule...
March 22, 2017: Nature
https://www.readbyqxmd.com/read/28328163/chemoselective-hydrazine-mediated-transfer-hydrogenation-of-nitroarenes-by-co3-o4-nanoparticles-immobilized-on-an-al-si-mixed-oxide-support
#2
P Linga Reddy, Mohit Tripathi, R Arundhathi, Diwan S Rawat
Cobalt oxide nanoparticles (size 2 to 3.5 nm) were successfully impregnated on an alumina-silica (mixed oxide) support through an experimentally viable and easily reproducible protocol. The prepared material was well characterized by XRD, HR-TEM, BET surface area, EDX and XPS analyses. Porous alumina-silica having a high surface area served as a protective heterogeneous support on which the well-dispersed Co3 O4 nanoparticles served as an active catalytic species for the hydrazine-mediated transfer hydrogenation of nitroarenes...
March 22, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28328150/yolk-shell-nanostructure-an-ideal-architecture-to-achieve-harmonious-integration-of-magnetic-plasmonic-hybrid-theranostic-platform
#3
Li-Sen Lin, Xiangyu Yang, Zijian Zhou, Zhen Yang, Orit Jacobson, Yijing Liu, Angela Yang, Gang Niu, Jibin Song, Huang-Hao Yang, Xiaoyuan Chen
Magnetic-plasmonic hybrid nanoparticles (MPHNs) have attracted great interest in cancer theranostics. However, the relaxivity of the magnetic component is typically reduced by the plasmonic component in conventional core-shell structured MPHNs, due to the presence of a water-impenetrable coating which severely restricts the proximity of protons to the magnetic portion. To circumvent this issue, yolk-shell structured MPHNs comprising a Fe3 O4 core within a hollow cavity encircled by a porous Au outer shell are designed...
March 22, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28328093/race-in-an-epigenetic-time-thinking-biology-in-the-plural
#4
Maurizio Meloni
The notion that biological memories of environmental experiences can be embedded in the human genome and even transmitted transgenerationally is increasingly relevant in the postgenomic world, particularly in molecular epigenetics, where the genome is conceptualized as porous to environmental signals. In this article I discuss the current rethinking of race in epigenetic rather than genetic terms, emphasizing some of its paradoxical implications, especially for public policy. I claim in particular that: (i) if sociologists want to investigate race in a postgenomic world they should pay more attention to this novel plastic and biosocial view of race; and (ii) there are no reasons to believe that an epigenetic view will extinguish race, or that soft-inheritance claims will produce a less exclusionary discourse than genetics (hard heredity)...
March 22, 2017: British Journal of Sociology
https://www.readbyqxmd.com/read/28327775/nanospherical-solid-electrolyte-interface-layer-formation-in-binder-free-carbon-nanotube-aerogel-si-nanohybrids-to-provide-lithium-ion-battery-anodes-with-a-long-cycle-life-and-high-capacity
#5
Hyung Cheoul Shim, Ilhwan Kim, Chang-Su Woo, Hoo-Jeong Lee, Seungmin Hyun
Silicon anodes for lithium ion batteries (LiBs) have been attracting considerable attention due to a theoretical capacity up to about 10 times higher than that of conventional graphite. However, huge volume expansion during the cycle causes cracks in the silicon, resulting in the degradation of cycling performance and eventual failure. Moreover, low electrical conductivity and an unstable solid electrolyte interface (SEI) layer resulting from repeated changes in volume still block the next step forward for the commercialization of the silicon material...
March 22, 2017: Nanoscale
https://www.readbyqxmd.com/read/28327728/in-situ-fe2n-n-doped-porous-carbon-hybrids-as-superior-catalysts-for-oxygen-reduction-reaction
#6
Xiaoxiao Huang, Ziyu Yang, Bing Dong, Yazhou Wang, Tianyu Tang, Yanglong Hou
Developing efficient and economical noble-metal free catalysts for oxygen reduction reaction (ORR) is one of the essential factors for the industrialization of fuel cells. Recent studies on transition metal ORR catalysts have become the priority to practical low-temperature fuel cells. Herein, we proposed a novel in situ design, Fe2N nanoparticles (NPs) in an N doped porous carbon matrix (Fe2N@NPC) derived from metal organic frameworks (MOFs) as high-performance ORR catalysts. The decorated Fe2N NPs increase the amount of Fe-N/C bonding as catalytic site...
March 22, 2017: Nanoscale
https://www.readbyqxmd.com/read/28327705/correction-band-gap-tailoring-and-visible-light-driven-photocatalytic-performance-of-porous-gan-1-x-zno-x-solid-solution
#7
Aimin Wu, Jing Li, Baodan Liu, Wenjin Yang, Yanan Jiang, Lusheng Liu, Xinglai Zhang, Changmin Xiong, Xin Jiang
Correction for 'Band-gap tailoring and visible-light-driven photocatalytic performance of porous (GaN)1-x(ZnO)x solid solution' by Aimin Wu et al., Dalton Trans., 2017, 46, 2643-2652.
March 22, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28326762/facile-synthesis-of-hierarchical-porous-three-dimensional-free-standing-mnco2o4-cathodes-for-long-life-li-o2-batteries
#8
Haitao Wu, Wang Sun, Yan Wang, Fang Wang, Junfei Liu, Xinyang Yue, Zhenhua Wang, Jinshuo Qiao, David W Rooney, Kening Sun
Hierarchical porous three-dimensional MnCo2O4 nanowire bundles were obtained by a universal and low-cost hydrothermal method, which subsequently as a carbon-free and binder-free cathode for Li-O2 cell applications. This system showed a large discharge capacity up to 12919 mAh g-1 at 0.1 mA cm-2 as well as an outstanding rate capability. Under a constrained specific capacity of 500 and 1000 mAh g-1, the Li-O2 batteries could be successfully operated for over 300 and 144 cycles, respectively. Moreover, the charge voltage was markedly decreased to about 3...
March 22, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28326727/-development-and-characterization-of-oriented-scaffolds-derived-from-cartilage-extracellular-matrix
#9
Li Kun, Zhao Yanhong, Xu Chen, Wang Lianyong, Yang Qiang, Li Hongfa, Teng Binhong
OBJECTIVE: This study aimed to prepare oriented scaffolds derived from a cartilage extracellular matrix (CECM) and to investigate their physicochemical property and compatibility with adipose-derived stem cells (ADSCs). METHODS: A fresh porcine articular cartilage was cut into pieces. Cartilage nanofibers with diameters of 50-500 nm were collected through homogenization and centrifugation. These nanofibers were then decellularized by using Triton X-100 to produce 6% CECM...
February 1, 2017: Hua Xi Kou Qiang Yi Xue za Zhi, Huaxi Kouqiang Yixue Zazhi, West China Journal of Stomatology
https://www.readbyqxmd.com/read/28326684/collagen-cellulose-nanocrystal-scaffolds-containing-curcumin-loaded-microspheres-on-infected-full-thickness-burns-repair
#10
Rui Guo, Yong Lan, Wei Xue, Biao Cheng, Yuanming Zhang, Changyong Wang, Seeram Ramakrishna
Burn infection is a serious problem that delays wound healing and leads to death. Curcumin (Cur) has been shown to exhibit antioxidant, anti-inflammatory, antimicrobial and anticarcinogenic activity. However, its instability, extremely low aqueous solubility and bioavailability in physiological fluids may make it difficult to maintain local Cur concentrations above the minimum inhibitory concentration for burn infection treatment. The objective of this study was to construct complexes of Cur/gelatin microspheres (GMs) and porous collagen (Coll)-cellulose nanocrystals (CNCs) composite scaffolds for full-thickness burn infection treatment...
March 22, 2017: Journal of Tissue Engineering and Regenerative Medicine
https://www.readbyqxmd.com/read/28326679/synthesis-of-pyridine-zinc-based-porous-organic-polymer-for-cocatalyst-free-cycloaddition-of-epoxides
#11
He Li, Chunzhi Li, Jian Chen, Lina Liu, Qihua Yang
Synthesis of solid catalysts for co-catalyst free CO2 cycloaddition reaction has attracted much research attention. Herein we report a hierarchical porous organic polymer, Py-Zn@MA which could catalyze cycloaddition reaction with epoxides and CO2 without using any additives or co-catalyst to afford turnover frequency (TOF) as high as 250 and 97 h-1 at 130 oC using pure and diluted CO2 (a simulating flue gas), respectively. These results are superior to most ever reported heterogeneous co-catalyst free systems...
March 22, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28326659/strings-of-porous-carbon-polyhedrons-as-self-standing-cathode-host-for-high-energy-density-lithium-sulfur-batteries
#12
Yazhi Liu, Gaoran Li, Jing Fu, Zhongwei Chen, Xinsheng Peng
Rational design of cathode hosts with high electrical conductivity and strong sulfur confinement is a great need for high-performance lithium-sulfur batteries. Herein, we report a self-standing, hybrid-nanostructured cathode host comprised of metal-organic framework (MOF)-derived porous carbon polyhedrons and carbon nanotubes (CNTs) for the significant improvement of both the electrode cyclability and energy density. The strong coupling of the intertwined CNTs and strung porous carbon polyhedrons as a binder-free thin film significantly enhances the long-range electronic conductivity and provides abundant active interfaces as well as robust electrode integrity for sulfur electrochemistry...
March 22, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28326423/removing-a-well-fixed-femoral-sleeve-during-revision-total-knee-arthroplasty
#13
J Ryan Martin, Tyler S Watters, Daniel L Levy, Jason M Jennings, Douglas A Dennis
The following surgical technique describes a case of a 51-year-old man with severe juvenile rheumatoid arthritis that required a 2-stage revision of an infected revision total knee implant. The patient had previously been implanted with a revision rotating platform, constrained condylar device which gained excellent fixation through the use of diaphyseal-engaging stems, and a well-ingrown, fully porous-coated femoral metaphyseal sleeve. To avoid intraoperative complications while removing the femoral sleeve, a novel technique for femoral sleeve extraction was used...
December 2016: Arthroplasty Today
https://www.readbyqxmd.com/read/28326418/combining-a-hip-arthroplasty-stem-with-trochanteric-reattachment-bolt-and-a-polyaxial-locking-plate-in-the-treatment-of-a-periprosthetic-fracture-below-a-well-integrated-implant
#14
Urban Hedlundh, Lars Karlsson
Distally anchored uncemented modular tapered porous stems are often the preferred treatment in total hip arthroplasty revisions and failed subtrochanteric fractures. These conditions mainly affect elderly osteoporotic patients, with an increased risk of later fractures below the well-fixated implant. Treatment in secondary fractures with long looking plates is the recommended treatment, where stability is a key to fracture healing. We report a complicated case in which this was achieved by an innovative technique combing the trochanteric attachment bolt of the stem system and a locking plate with polyaxial screws...
December 2016: Arthroplasty Today
https://www.readbyqxmd.com/read/28326298/effects-of-escherichia-coli-derived-recombinant-human-bone-morphogenetic-protein-2-loaded-porous-hydroxyaptite-based-ceramics-on-calvarial-defect-in-rabbits
#15
Shin-Young Kim, Youngkyun Lee, Seung-Jun Seo, Jae-Hong Lim, Yong-Gun Kim
BACKGROUND: Recombinant human bone morphogenetic proteins (rhBMPs) have been widely used in regenerative therapies to promote bone formation. The production of rhBMPs using bacterial systems such as Escherichia coli (E. coli) is estimated to facilitate clinical applications by lowering the cost without compromising biological activity. In clinical practice, rhBMP-2 and osteoconductive carriers (e.g., hydroxyapatite [HA] and bovine bone xenograft) are used together. This study examined the effect of E...
February 2017: Journal of Bone Metabolism
https://www.readbyqxmd.com/read/28325683/biomimetic-scaffolds-with-three-dimensional-undulated-microtopographies
#16
Jonelle Z Yu, Emrullah Korkmaz, Monica I Berg, Philip R LeDuc, O Burak Ozdoganlar
Many human and animal tissues naturally possess three-dimensional (3D) micro-scale geometries enabling certain physiological functions. Absence of these microgeometries in engineered tissues may undermine the effectiveness of corresponding tissue repair and regeneration. This paper introduces a novel approach to create tissue scaffolds with biomimetic 3D undulated microtopographies. The mechanical micromilling technology is used for precise and reproducible fabrication of poly(methyl methacrylate) (PMMA) master molds with 3D undulated microtopographies...
February 14, 2017: Biomaterials
https://www.readbyqxmd.com/read/28325445/nonlinear-model-on-pulsatile-flow-of-blood-through-a-porous-bifurcated-arterial-stenosis-in-the-presence-of-magnetic-field-and-periodic-body-acceleration
#17
R Ponalagusamy, S Priyadharshini
BACKGROUND AND OBJECTIVE: Background and Objective: The motivation of cardiovascular modeling is to understand the haemodynamic and mechanical factors in the diagnosis and treatment of cardiovascular diseases. Several investigations have been carried out by many authors to understand the flow properties of blood in modelling blood flows in the circulatory system. In the present article, the pulsatile flow of Herschel-Bulkley fluid through a bifurcated arterial stenosis in a porous medium with magnetic field and periodic body acceleration has been investigated in view of understanding the role of rheological behaviour of blood, stenotic height, bifurcation angle, magnetic field and porosity of wall in the initiation and proliferation of cardiovascular diseases...
April 2017: Computer Methods and Programs in Biomedicine
https://www.readbyqxmd.com/read/28325040/macroscopic-simulation-of-deformation-in-soft-microporous-composites
#18
Jack D Evans, François-Xavier Coudert
Soft microporous materials exhibit properties, such as gated adsorption and breathing, which are highly desirable for many applications. These properties are largely studied for single crystals, however, many potential applications expect to construct structured or composite systems, examples of which include monoliths and mixed-matrix membranes. Herein, we use finite element methods to predict the macroscopic mechanical response of composite microporous materials. This implementation connects the microscopic treatment of crystalline structures to the response of a macroscopic sample...
March 21, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28325036/microwave-hydrothermal-synthesis-of-terbium-ions-complexed-with-porous-graphene-for-effective-absorbent-for-organic-dye
#19
Keqin Chen, Hui Gao, Bowei Bai, Wenjing Liu, Xiaolong Li
A luminescent terbium ions/reduced graphene oxide complex (Tb-RGO) was successfully and rapidly synthesized by the microwave hydrothermal reaction via the interactions between terbium ions and the active oxygen functional groups of graphene oxide. The as-prepared material was porous stacked by multilayer graphene in all directions. Thus, the resulting product owed the high specific surface area, high adsorption capacity and ultra-fast adsorption rate. Combined with the characteristic photoluminescence derived from terbium ions, the material has potential applications in biosensing and environmental protection...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28324859/bovine-serum-albumin-as-an-effective-sensitivity-enhancer-for-peptide-based-amperometric-biosensor-for-ultrasensitive-detection-of-prostate-specific-antigen
#20
Zhongxue Tang, Yuanyuan Fu, Zhanfang Ma
Bovine serum albumin (BSA) was firstly implemented as an effective sensitivity enhancer for a peptide-based amperometric biosensor for the ultrasensitive detection of prostate specific antigen (PSA). A porous and conductive substrate of chitosan-lead ferrocyanide-(poly(diallyldimethylammonium chloride)-graphene oxide) was in-situ generated on a glassy carbon electrode (GCE), in which Pb2[Fe(CN)6] served as a novel redox species with strong current signal at -0.46 V (vs. Ag/AgCl). Poly(diallyldimethylammonium chloride)-graphene oxide was applied to improve conductivity of the substrate...
March 16, 2017: Biosensors & Bioelectronics
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