Environmental degradability of 1,2,3,4-tetrazine-1,3-dioxide-functionalized FOX-7 derivatives with high energy and low sensitivity: a computational evaluation

Structural Chemistry - We introduced 1,2,3,4-tetrazine-1,3-dioxide into the basic skeleton of FOX-7 together with amino, nitro, and N-oxide groups to design a new family of novel energetic...     

Simultaneous siting and sizing of distribution centers on a plane

The benefits of simultaneous consideration of siting and sizing of distribution centers have been well acknowledged in supply chain design. Most formulations assume that the potential DC sites are known and the decision on location is to select sites from the finite potential DC sites. However, the quality of this discrete version problem depends on the selection of potential DC sites. In this paper we present a planar version of the problem, which assumes that there is no a priori knowledge of DC sites and DCs can be located anywhere in the plane. The goal of the problem is to simultaneously find locations and sizing of DC sites. The solution of the planar problem provides a lower bound for the discrete problem. The objective of the problem is to minimize the total of inbound and outbound transportation costs and distribution center construction costs—which include its fixed charge cost and concave sizing cost. The problem is initially formulated as a nonlinear programming model. We then reformulate it as a set covering problem after establishing certain key properties. A greedy drop heuristic and a column generation heuristic are developed to solve the problem. Computational experiments are provided.     

Current collapse and reliability of III‐N heterostructure field effect transistors

Measurements of GaN HFET lifetime as a function of temperature show that different degradation mechanisms are involved at low temperatures (close to room temperature) and high temperatures (above 150 °C). The degradation at low temperatures is linked to the trap generation and can be explained using the current collapse model. At higher tempe‐ ratures, other degradation mechanisms become important or even dominant. The current collapse related degradation can be diminished by using improved device design, which will greatly increase the overall lifetime (up to long lifetimes obtained by extrapolating high temperature data to room temperature). (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Experimental and Theoretical Study of High Temperature-Stability and Low-Chirp 1.55 µm Semiconductor Laser with an External Fiber Grating

An experimental and theoretical study of the effect of temperature on the static and dynamic characteristics of packaged external fiber grating semiconductor lasers (FGL) is reported on. Operating in single frequency mode, the laser exhibits high output power (> 8 mW), high temperature stability of operating frequency (-3.4 GHz/K), and low static chirp (-60 MHz/mA). The observed hysteresis in wavelength versus temperature dependence is explained in the frame of a time-domain FGL model accounting for asymmetric nonlinear gain. The laser has low dynamic chirp (~16 MHz/mA) under 2.5 GB/s direct modulation, which is the key factor determining low penalty transmission over 312 km of SSM fiber. Dense WDM transmission performed at 2.6 Gbit/s over 117 km of SSM fiber shows that an FGL-based transmitter is a factor of 7 more tolerant to temperature variations than externally modulated DFB lasers.     

卡尔曼滤波分光光度法测定安钠加注射液中苯甲酸钠和咖啡因含量

将卡尔曼滤波与分光光度法结合,用于同时测定安钠加注射液中苯甲酸钠和咖啡因的含量,其平均回收率分别为99.90±0.32%,100.10±0.28%。本法也适用于其它多组分体系分析。     

Host–guest interaction-mediated fabrication of aggregation-induced emission supramolecular hydrogel for use as aqueous light-harvesting systems

ABSTRACT

Aqueous light-harvesting systems in hydrogels formed by specific noncovalent interactions exhibit both solution and solid-state performance. In this work, the copolymerisation of acrylamide (AM), 4-(1,2,2-triphenylvinyl) phenyl acrylate (vTPE), and guest units 1-benzyl-3vinylimidazolium (G) was carried out with initiator to form P(AM-vTPE-G). Then, supramolecular hydrogels were fabricated by dynamic host–guest interactions the guest unit and host molecule cucurbit[8]uril (CB[8]). The aggregated tetraphenylethylene (TPE) moieties in the polymer chains aggregate together, possessed high fluorescence enhancement during the cross-linking process. Meanwhile, emission characteristics of the obtained aqueous light-harvesting systems were further examined by using the donor (supramolecular hydrogel) and acceptor (Eosin Y disodium salt) system. The process provides a novel method for the production of fluorescence and self–healing supramolecular hydrogel with various potential applications.     

Chemical composition, antioxidant and antibacterial properties of Achillea collina Becker ex Heimerl s.l. and A. pannonica Scheele essential oils

The in vitro antioxidant and antimicrobial activities of two Achillea millefolium (Adanson) Koch s.l species essential oils (A. collina Becker ex Heimerl s.l. and A. pannonica Scheele, Asteraceae) originating from the Golija and Radan mountains (Serbia) were investigated. The chemical profiles of the essential oils were evaluated by GC-MS. Antioxidant activity was assessed as free radical scavenging capacity (RSC) towards 2,2-diphenyl-1-picrylhydrazil (DPPH) radicals, together with effects on lipid peroxidation (LP). Antibacterial activity was examined on 21 bacterial strains. Based on the chemical composition of the essential oil, A. collina s.l. from Mount Golija was classified as a chamazulene chemotype (tetraploid). The high percentage of oxygenated monoterpenes and absence of azulene in the essential oil obtained from A. pannonica from Radan pointing that this population is octaploid. Essential oil of A. pannonica expressed stronger antimicrobial activity on almost all tested bacteria. Furthermore, this essential oil expressed higher scavenging effects on DPPH radical (IC(50) = 0.52 comparing to 0.62 mug/mL). Only in the LP evaluation, essential oil of A. collina s.l. from Golija exhibited stronger antioxidant activity (IC(50) = 0.75 comparing to 2.12 mug/mL).     

Biomimetic Mineralized Fiber Bundle-Inspired Scaffolding Surface on Polyetheretherketone Implants Promotes Osseointegration

The stress shielding effect caused by traditional metal implants is circumvented by using polyetheretherketone (PEEK), due to its excellent mechanical properties; however, the biologically inert nature of PEEK limits its application. Endowing PEEK with biological activity to promote osseointegration would increase its applicability for bone replacement implants. A biomimetic study is performed, inspired by mineralized collagen fiber bundles that contact bone marrow mesenchymal stem cells (BMMSCs) on the native trabecular bone surface. The PEEK surface (P) is first sulfonated with sulfuric acid to form a porous network structure (sP). The surface is then encapsulated with amorphous hydroxyapatite (HA) by magnetron sputtering to form a biomimetic scaffold that resembles mineralized collagen fiber bundles (sPHA). Amorphous HA simulates the composition of osteogenic regions in vivo and exhibits strong biological activity. In vitro results show that more favorable cell adhesion and osteogenic differentiation can be attained with the novelsurface of sPHA than with SP. The results of in vivo experiments show that sPHA exhibits osteoinductive and osteoconductive activity and facilitates bone formation and osseointegration. Therefore, the surface modification strategy can significantly improve the biological activity of PEEK, facilitate effective osseointegration, and inspire further bionic modification of other inert polymers similar to PEEK.     

Colorimetric determination of ferrous ion via morphology transition of gold nanorods

A colorimetric method is described for the determination of ferrous ion (Fe²⁺) with high sensitivity and selectivity. The method is based on catalytic etching of gold nanorod (NR). In an acid condition, Fe²⁺ reacts with H₂O₂ to produce superoxide radical (O₂ ^??) that etches gold NRs from the low energy surface along the longitudinal direction preferentially. As a result, the changes in the absorption spectrum and color of gold NR can be measured and also can be detected visually. Under the optimal conditions, the assay has very low detection limit (13.5 nM) and a linear response in a concentration range of 75 to 1 μM. The method was applied to the determination of Fe²⁺ in spiked samples of fetal bovine serum and also transferred to a kind of test stripe for use in fast practical applications. A unique colorimetric sensing method is demonstrated for the colorimetric detection of Fe²⁺, again based on the oxidation of gold nanorods which leads to the blue-shift of the absorption.

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Graphical abstract A unique colorimetric sensing method was shown for the colorimetric detection of Fe²⁺. Fe²⁺reacts with H₂O₂ to generate superoxide radical that oxidize gold nanorods. This leads to a color change from blue-green to pink.

     

Perylene Bisimide-Cored Supramolecular Coordination Complexes: Interplay between Ensembles,Excited State Processes,and Aggregation Behaviors

Manipulating the optical properties of fluorescent species is challenging owing to complicated and tedious synthetic works. Herein, the photophysical properties of perylene bisimide (PBI) were effectively tuned by varying the geometrical arrangement of PBI moieties within supramolecular coordination complexes (SCCs), where a PBI-based dicycle ( 2 ) and a trigonal prism ( 3 ) were generated via using a typical 90° Pt(II) reagent, cis-(PEt₃)₂Pt(OTf)₂-based coordination-driven self-assembly approach. The ligand, an ortho-tetrapyridiyl-PBI ( 1 ), exhibits a moderate fluorescence quantum yield (∼13 %) and efficient inter-system crossing (ISC). 2 , however, is much more emissive with a fluorescence quantum yield of ∼41 %, and the relevant ISC process is significantly hindered. The fluorescence quantum yield of 3 is merely ∼6 % due to the observed symmetry-breaking charge separation (SB-CS), which turns to triplet state upon charge recombination. Interestingly, 3 could be fully transformed into 2 by simply adding a suitable amount of a 90° Pt(II)-based neutral triangle. Moreover, 2 tends to form discrete dimers both in crystal and solution states, but 3 does not show the property. Therefore, controlling geometrical arrangement of fluorophores through coordination-driven self-assembly could be taken as another effective way to tune their excited state relaxation pathways and construct high-performance optical molecular materials, which generally have to be prepared via organic synthesis.