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https://www.readbyqxmd.com/read/29334687/cognitive-deficits-in-methamphetamine-users-how-strong-is-the-evidence
#1
Lisa Proebstl, Felicia Kamp, Gabi Koller, Michael Soyka
Methamphetamine use has spread in many European countries and the United States. The current review provides a summary and critical analysis of research on cognitive deficits associated with methamphetamine, also known as "crystal meth." The literature search performed for this review led us to the hypothesis that methamphetamine use is associated with persistent changes in brain metabolism that result in various impairments, such as deficits in memory, attention, and concentration. The dopaminergic system in particular seems to be affected...
January 15, 2018: Pharmacopsychiatry
https://www.readbyqxmd.com/read/29334685/observation-of-a-phononic-quadrupole-topological-insulator
#2
Marc Serra-Garcia, Valerio Peri, Roman Süsstrunk, Osama R Bilal, Tom Larsen, Luis Guillermo Villanueva, Sebastian D Huber
The modern theory of charge polarization in solids is based on a generalization of Berry's phase. The possibility of the quantization of this phase arising from parallel transport in momentum space is essential to our understanding of systems with topological band structures. Although based on the concept of charge polarization, this same theory can also be used to characterize the Bloch bands of neutral bosonic systems such as photonic or phononic crystals. The theory of this quantized polarization has recently been extended from the dipole moment to higher multipole moments...
January 15, 2018: Nature
https://www.readbyqxmd.com/read/29334648/using-mass-struvite-precipitation-to-remove-recalcitrant-nutrients-and-micropollutants-from-anaerobic-digestion-dewatering-centrate
#3
M Abel-Denee, T Abbott, C Eskicioglu
The primary objective of this research was to remove recalcitrant nutrients from anaerobically digested sludge dewatering centrate. A struvite precipitation methodology is proposed where salt crystals are encouraged to ballast colloidal particles through heterogeneous nucleation and subsequent crystal growth. The secondary objective was to assess presence of micropollutants in precipitates. Four biologically unique dewatering centrates were used to test the precipitation methodology on the variety of anaerobic digester configurations that can be expected from municipal wastewater treatment plant...
January 5, 2018: Water Research
https://www.readbyqxmd.com/read/29334460/multiple-stimuli-responses-of-stereo-isomers-of-aie-active-ethynylene-bridged-and-pyridyl-modified-tetraphenylethene
#4
Zhaoyang Wang, Xiao Cheng, Anjun Qin, Haoke Zhang, Jing Zhi Sun, Ben Zhong Tang
Luminescent molecules with aggregation-induced emission (AIE) property, or AIE-gens are typical stimuli-responsive materials and many AIE-gens have shown luminescent responses to mechano-, thermo-, electro-, vapo- and/or solvato-stimulus, but the detailed structure-property relationship has been addressed for only few of them. Here, we report a tetraphenylethene (TPE) derivative with pyridyl modifiers and ethynylene bridges. The (Z)- and (E)-isomers are clearly purified and both of them are AIE-active and demonstrate multiple luminescent responses to external stimuli...
January 15, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29334459/development-of-charmm-compatible-force-field-parameters-for-cobalamin-and-related-cofactors-from-quantum-mechanical-calculations
#5
Anna Pavlova, Jerry M Parks, James C Gumbart
Corrinoid cofactors such as cobalamin are used by many enzymes and are essential for most living organisms. Therefore, there is broad interest in investigating cobalamin-protein interactions with molecular dynamics simulations. Previously developed parameters for cobalamins are based mainly on crystal structure data. Here, we report CHARMM-compatible force field parameters for several corrinoids developed from quantum mechanical calculations. We provide parameters for corrinoids in three oxidation states, Co3+, Co2+ and Co1+, and with various axial ligands...
January 15, 2018: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29334457/new-mechanism-for-ferroelectricity-in-the-perovskite-ca2-xmnxti2o6-synthesized-by-spark-plasma-sintering
#6
Zongyao Li, Yujin Cho, Xiang Li, Xinyu Li, Akihisa Aimi, Yoshiyuki Inaguma, Jose Antonio Alonso, Maria Teresa Fernandez-Diaz, Jiaqiang Yan, Michael C Downer, Graeme Henkelman, John B Goodenough, Jianshi Zhou
Perovskite oxides hosting ferroelectricity are particularly important materials for modern technologies. The ferroelectric transition in the well-known oxides BaTiO3 and PbTiO3 is realized by softening of a vibration mode in the cubic perovskite structure. For most perovskite oxides, octahedral-site tilting systems are developed to accommodate the bonding mismatch due to a geometric tolerance factor t = (A-O)/[√2(B-O)] < 1. In the absence of cations having lone-pair electrons, e.g. Bi3+ and Pb2+, all simple and complex A-site and B-site ordered perovskite oxides with a t < 1 show a variety of tilting systems and none of them become ferroelectric...
January 15, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29334394/substitution-of-the-laser-borane-anti-b18h22-with-pyridine-a-structural-and-photophysical-study-of-some-unusually-structured-macropolyhedral-boron-hydrides
#7
Michael G S Londesborough, Jiří Dolanský, Tomáš Jelínek, John D Kennedy, Ivana Císařová, Robert D Kennedy, Daniel Roca-Sanjuán, Antonio Francés-Monerris, Kamil Lang, William Clegg
Reaction of anti-B18H221 with pyridine in neutral solvents gives sparingly soluble B16H18-3',8'-Py23a as the major product (ca. 53%) and B18H20-6',9'-Py22 (ca. 15%) as the minor product, with small quantities of B18H20-8'-Py 4 (ca. 1%) also being formed. The three new compounds 2, 3a and 4 are characterized by single-crystal X-ray diffraction analyses and by multinuclear multiple-resonance NMR spectroscopy. Compound 2 is of ten-vertex nido:ten-vertex arachno two-atoms-in-common architecture, long postulated for a species with borons-only cluster constitution, but previously elusive...
January 15, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29334389/effect-of-coordination-geometry-on-the-magnetic-properties-of-a-series-of-ln2-and-ln4-hydroxo-clusters
#8
Amaleswari Rasamsetty, Chinmoy Das, E Carolina Sañudo, Maheswaran Shanmugam, Viswanathan Baskar
A series of three isostructural tetranuclear complexes with the general molecular formula [Ln4(μ3-OH)4(L)4(μ2-piv)4(MeOH)4] (Ln = Gd 1, Dy 2 and Ho 3; LH = [1,3-bis(o-methoxyphenyl)-propane-1,3-dione]) were isolated and unambiguously characterized by single crystal XRD. Under similar reaction conditions, simply changing the co-ligand from pivalate to 2,6-bis(hydroxymethyl)-p-cresol (LH'3) led to the isolation of dinuclear Ln(iii) complexes with the general molecular formula [Ln2(L)4(μ2-LH'2)2]·4DMF (Ln = Gd 4, Dy 5 and Ho 6)...
January 15, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/29334251/discussing-edaravone-with-the-als-patient-an-ethical-framework-from-a-u-s-perspective
#9
Crystal Jing Jing Yeo, Zachary Simmons
The recent approval of edaravone by the United States Food and Drug Administration has generated a mix of hope tempered by reality. The costs of the drug, both monetarily and with regard to intensity of treatment, are high. The benefits, while modest, will be viewed through a very different lens by individuals depending on their goals of care. By virtue of our training and experience, physicians are ideally suited to understand and explain new treatments to our patients. As healthcare providers with a fiduciary responsibility to our patients, we must make sure they are fully informed about both the costs and benefits of non-curative therapies such as edaravone, and be prepared to discuss these in the context of their goals of care and potential impact on quality of life...
January 15, 2018: Amyotrophic Lateral Sclerosis and Frontotemporal Degeneration
https://www.readbyqxmd.com/read/29334192/digitalizing-self-assembled-chiral-superstructures-for-optical-vortex-processing
#10
Peng Chen, Ling-Ling Ma, Wei Duan, Ji Chen, Shi-Jun Ge, Zhi-Han Zhu, Ming-Jie Tang, Ran Xu, Wei Gao, Tao Li, Wei Hu, Yan-Qing Lu
Cholesteric liquid crystal (CLC) chiral superstructures exhibit unique features; that is, polychromatic and spin-determined phase modulation. Here, a concept for digitalized chiral superstructures is proposed, which further enables the arbitrary manipulation of reflective geometric phase and may significantly upgrade existing optical apparatus. By encoding a specifically designed binary pattern, an innovative CLC optical vortex (OV) processor is demonstrated. Up to 25 different OVs are extracted with equal efficiency over a wavelength range of 116 nm...
January 15, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29334165/3d-printing-of-liquid-crystal-elastomeric-actuators-with-spatially-programed-nematic-order
#11
Arda Kotikian, Ryan L Truby, John William Boley, Timothy J White, Jennifer A Lewis
Liquid crystal elastomers (LCEs) are soft materials capable of large, reversible shape changes, which may find potential application as artificial muscles, soft robots, and dynamic functional architectures. Here, the design and additive manufacturing of LCE actuators (LCEAs) with spatially programed nematic order that exhibit large, reversible, and repeatable contraction with high specific work capacity are reported. First, a photopolymerizable, solvent-free, main-chain LCE ink is created via aza-Michael addition with the appropriate viscoelastic properties for 3D printing...
January 15, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29334154/nano-titanium-monoxide-crystals-and-unusual-superconductivity-at-11-k
#12
Jijian Xu, Dong Wang, Heliang Yao, Kejun Bu, Jie Pan, Jianqiao He, Fangfang Xu, Zhanglian Hong, Xiaobo Chen, Fuqiang Huang
Nano TiO2 is investigated intensely due to extraordinary photoelectric performances in photocatalysis, new-type solar cells, etc., but only very few synthesis and physical properties have been reported on nanostructured TiO or other low valent titanium-containing oxides. Here, a core-shell nanoparticle made of TiO core covered with a ≈5 nm shell of amorphous TiO1+x is newly constructed via a controllable reduction method to synthesize nano TiO core and subsequent soft oxidation to form the shell (TiO1+x )...
January 15, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29334146/self-assembled-ag-mxa-superclusters-with-structure-dependent-mechanical-properties
#13
Xiaoyun Qin, Dan Luo, Zhenjie Xue, Qian Song, Tie Wang
The low elastic modulus and time-consuming formation process represent the major challenges that impede the penetration of nanoparticle superstructures into daily life applications. As observed in the molecular or atomic crystals, more effective interactions between adjacent nanoparticles would introduce beneficial features to assemblies enabling optimized mechanical properties. Here, a straightforward synthetic strategy is showed that allows fast and scalable fabrication of 2D Ag-mercaptoalkyl acid superclusters of either hexagonal or lamellar topology...
January 15, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29334145/colloidal-cobalt-phosphide-nanocrystals-as-trifunctional-electrocatalysts-for-overall-water-splitting-powered-by-a-zinc-air-battery
#14
Hui Li, Qi Li, Peng Wen, Trey B Williams, Shiba Adhikari, Chaochao Dun, Chang Lu, Dominique Itanze, Lin Jiang, David L Carroll, George L Donati, Pamela M Lundin, Yejun Qiu, Scott M Geyer
Highly efficient and stable electrocatalysts, particularly those that are capable of multifunctionality in the same electrolyte, are in high demand for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). In this work, highly monodisperse CoP and Co2 P nanocrystals (NCs) are synthesized using a robust solution-phase method. The highly exposed (211) crystal plane and abundant surface phosphide atoms make the CoP NCs efficient catalysts toward ORR and HER, while metal-rich Co2 P NCs show higher OER performance owing to easier formation of plentiful Co2 P@COOH heterojunctions...
January 15, 2018: Advanced Materials
https://www.readbyqxmd.com/read/29334101/semiconductor-metal-structural-phase-transformation-in-mote2-monolayers-by-electronic-excitation
#15
Aravind Krishnamoorthy, Lindsay Bassman, Rajiv K Kalia, Aiichiro Nakano, Fuyuki Shimojo, Priya Vashishta
Optical modulation of the crystal structure and materials properties is an increasingly important technique for functionalization of two-dimensional and layered semiconductors, where traditional methods like chemical doping are ineffective. Controllable transformation between the semiconducting (H) and semimetallic (T') polytypes of transition metal chalcogenide monolayers is of central importance to two-dimensional electronics, and thermally-driven and strain-driven examples of this phase transformation have been previously reported...
January 15, 2018: Nanoscale
https://www.readbyqxmd.com/read/29334100/first-principles-simulation-of-local-response-in-transition-metal-dichalcogenides-under-electron-irradiation
#16
Anthony Yoshimura, Michael Lamparski, Neerav Kharche, Vincent Meunier
Electron beam irradiation by transmission electron microscopy (TEM) is a common and effective method for post-synthesis defect engineering in two-dimensional transition metal dichalcogenides (TMDs). Combining density functional theory (DFT) with relativistic scattering theory, we simulate the generation of such defects in monolayer group-VI TMDs, MoS2, WS2, MoSe2, and WSe2, focusing on two fundamental TEM-induced atomic displacement processes: chalcogen sputtering and chalcogen vacancy migration. Our calculations show that the activation energies of chalcogen sputtering depend primarily on the chalcogen species, and are smaller in selenides than in sulfides...
January 15, 2018: Nanoscale
https://www.readbyqxmd.com/read/29333938/structure-based-engineering-to-restore-high-affinity-binding-of-an-isoform-selective-anti-tgf%C3%AE-1-antibody
#17
Dana M Lord, Julie J Bird, Denise M Honey, Annie Best, Anna Park, Ronnie R Wei, Huawei Qiu
Metelimumab (CAT192) is a human IgG4 monoclonal antibody developed as a TGFβ1-specific antagonist. It was tested in clinical trials for the treatment of scleroderma but later terminated due to lack of efficacy. Subsequent characterization of CAT192 indicated that its TGFβ1 binding affinity was reduced by ∼50-fold upon conversion from the parental single-chain variable fragment (scFv) to IgG4. We hypothesized this result was due to decreased conformational flexibility of the IgG that could be altered via engineering...
January 15, 2018: MAbs
https://www.readbyqxmd.com/read/29333851/oxygen-vacancy-dynamics-at-room-temperature-in-oxide-heterostructures
#18
Shanyong Bao, Jing Ma, Teng Yang, Mingfeng Chen, Jiahui Chen, Shengli Pang, Ce-Wen Nan, Chonglin Chen
Oxygen vacancy dynamic behavior at room temperature in complex oxides was carefully explored by using a combining approach of ion liquid gating technique and resistance measurements. Heterostructures of PrBaCo2O5+δ/Gd2O3-doped CeO2 epitaxial thin films were fabricated on (001) Y2O3-stabilized ZrO2 single crystal substrates for systematically investigating the oxygen redox dynamics. The oxygen dynamic change as response to the gating voltage and duration were precisely detected by in situ resistance measurements...
January 15, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29333848/highly-stable-and-luminescent-perovskite-polymer-composites-from-a-convenient-and-universal-strategy
#19
Yumeng Xin, Hongjie Zhao, Jiuyang Zhang
Extensive attention has been received in recent years for perovskite-polymer composites due to their combination of properties from polymers and perovskites. In this work, a convenient and universal strategy is reported to prepare cesium lead bromide (CsPbBr3) or organolead halide CH3NH3PbBr3 polymer composites. This technique integrates the formation of perovskite crystals and polymer matrix in a one-pot reaction, avoiding the tedious separation and preparation of perovskites. The method is universal for most of commercially available monomers and polymers, which has been verified in this report by poly(methyl methacrylate) (PMMA), poly(butyl methacrylate) (PBMA) and polystyrene (PS)...
January 15, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29333694/chemical-composition-fractionation-of-olefin-plastomers-elastomers-by-solvent-and-thermal-gradient-interaction-chromatography
#20
Anthony Ndiripo, Andreas Albrecht, Benjamin Monrabal, Jingbo Wang, Harald Pasch
Olefin plastomers/elastomers are typically copolymers with high comonomer contents and low crystallinities. Therefore, the fractionation of these materials with crystallization-based methods is not feasible. On the other hand, solvent and temperature gradient interaction chromatography (SGIC and TGIC, respectively) are suitable techniques for the separation of olefin copolymers with regard to their chemical composition. In this study, the application ranges of both techniques are investigated and compared for ethylene-propylene (EP) copolymers...
January 15, 2018: Macromolecular Rapid Communications
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