The photochemistry and photophysics of a series of alpha octa(alkyl-substituted) silicon, zinc and palladium phthalocyanines

Photophysical and photochemical measurements have been made on a series of novel alpha octa(alkyl-substituted) silicon, zinc and palladium phthalocyanines for which the synthesis is outlined. Fluorescence quantum yields and lifetimes, triplet quantum yields and lifetimes and singlet delta oxygen quantum yields were measured in 1% v/v pyridine in toluene. The effects of varying central atom and addition of alkyl substituents relative to unsubstituted parent molecules, zinc phthalocyanine (ZnPc) and silicon phthalocyanine (SiPc), are discussed. All phthalocyanines studied exhibit absorption and emission maxima in the region of 680–750 nm with molar absorptivity of the Q-band 105 M−1 cm−1. The series of compounds also exhibited triplet quantum yields of 0.65–0.95 and singlet oxygen quantum yields of 0.49–0.93

Global Journalist: The Unsettled Clash Between Palestine and Israel

On this March 28, 2002 program, journalists discuss how a bombing in Netanya, Israel is connected the growing concerns of religious extremism in the Middle East

Carbon neutral manufacturing via on-site CO2 recycling.

The chemical industry needs to significantly decrease carbon dioxide (CO2) emissions in order to meet the 2050 carbon neutrality goal. Utilization of CO2 as a chemical feedstock for bulk products is a promising way to mitigate industrial emissions; however, CO2-based manufacturing is currently not competitive with the established petrochemical methods and its deployment requires creation of a new value chain. Here, we show that an alternative approach, using CO2 conversion as an add-on to existing manufactures, can disrupt the global carbon cycle while minimally perturbing the operation of chemical plants. Proposed closed-loop on-site CO2 recycling processes are economically viable in the current market and have the potential for rapid introduction in the industries. Retrofit-based CO2 recycling can reduce annually between 4 and 10 Gt CO2 by 2050 and contribute to achieving up to 50% of the industrial carbon neutrality goal

The future of big data in facilities management : opportunities and challenges

Purpose: This paper explores the current condition of the Big Data concept with its related barriers, drivers, opportunities and perceptions in the AEC industry with an emphasis on Facilities Management (FM). Design/methodology/approach: Following a comprehensive literature review, the Big Data concept was investigated through two scoping workshops with industry experts and academics. Findings: The value in data analytics and Big Data is perceived by the industry; yet the industry needs guidance and leadership. Also, the industry recognises the imbalance between data capturing and data analytics. Large IT vendors’ developing AEC industry focused analytics solutions and better interoperability among different vendors are needed. The general concerns for Big Data analytics mostly apply to the AEC industry as well. Additionally however, the industry suffers from a structural fragmentation for data integration with many small-sized companies operating in its supply chains. This paper also identifies a number of drivers, challenges and way-forwards that calls for future actions for Big Data in FM in the AEC industry. Originality/value: The nature of data in the business world has dramatically changed over the past 20 years. This phenomenon is often broadly dubbed as “Big Data” with its distinctive characteristics, opportunities and challenges. Some industries have already started to effectively exploit “Big Data” in their business operations. However, despite many perceived benefits, the AEC industry has been slow in discussing and adopting the Big Data concept. Empirical research efforts investigating Big Data for the AEC industry are also scarce. This paper aims at outlining the benefits, challenges and future directions (what to do) for Big Data in the AEC industry with a FM focus

The edge of the M87 halo and the kinematics of the diffuse light in the Virgo cluster core

We present high resolution FLAMES/VLT spectroscopy of intracluster planetary nebula (ICPN) candidates, targeting three new fields in the Virgo cluster core with surface brightness down to mu_B = 28.5. Based on the projected phase space information we separate the old and 12 newly-confirmed PNs into galaxy and intracluster components. The M87 PNs are confined to the extended stellar envelope of M87, within a projected radius of ~ 160 kpc, while the ICPNs are scattered across the whole surveyed region between M87 and M86. The velocity dispersions determined from the M87 PNs at projected radii of 60 kpc and 144 kpc show that the galaxy's velocity dispersion profile decreases in the outer halo, down to 78 +/- 25 km/s. A Jeans model for the M87 halo stars in the gravitational potential traced by the X-ray emission fits the observed velocity dispersion profile only if the stellar orbits are strongly radially anisotropic (beta ~= 0.4 at r ~= 10 kpc increasing to 0.8 at the outer edge), and if additionally the stellar halo is truncated at ~= 150 kpc average elliptical radius. From the spatial and velocity distribution of the ICPNs we infer that M87 and M86 are falling towards each other and that we may be observing them just before the first close pass. The inferred luminosity-specific PN numbers for the M87 halo and the ICL are in the range of values observed for old (> 10 Gyr) stellar populations (abridged).Comment: Accepted for publication in Astronomy and Astrophysics. 16 pages, 14 figures and 4 table

Organosulfate Formation in Biogenic Secondary Organic Aerosol

Organosulfates of isoprene, α-pinene, and β-pinene have recently been identified in both laboratory-generated and ambient secondary organic aerosol (SOA). In this study, the mechanism and ubiquity of organosulfate formation in biogenic SOA is investigated by a comprehensive series of laboratory photooxidation (i.e., OH-initiated oxidation) and nighttime oxidation (i.e., NO3-initiated oxidation under dark conditions) experiments using nine monoterpenes (α-pinene, β-pinene, d-limonene, l-limonene, α-terpinene, γ-terpinene, terpinolene, Δ3-carene, and β-phellandrene) and three monoterpenes (α-pinene, d-limonene, and l-limonene), respectively. Organosulfates were characterized using liquid chromatographic techniques coupled to electrospray ionization combined with both linear ion trap and high-resolution time-of-flight mass spectrometry. Organosulfates are formed only when monoterpenes are oxidized in the presence of acidified sulfate seed aerosol, a result consistent with prior work. Archived laboratory-generated isoprene SOA and ambient filter samples collected from the southeastern U.S. were reexamined for organosulfates. By comparing the tandem mass spectrometric and accurate mass measurements collected for both the laboratory-generated and ambient aerosol, previously uncharacterized ambient organic aerosol components are found to be organosulfates of isoprene, α-pinene, β-pinene, and limonene-like monoterpenes (e.g., myrcene), demonstrating the ubiquity of organosulfate formation in ambient SOA. Several of the organosulfates of isoprene and of the monoterpenes characterized in this study are ambient tracer compounds for the occurrence of biogenic SOA formation under acidic conditions. Furthermore, the nighttime oxidation experiments conducted under highly acidic conditions reveal a viable mechanism for the formation of previously identified nitrooxy organosulfates found in ambient nighttime aerosol samples. We estimate that the organosulfate contribution to the total organic mass fraction of ambient aerosol collected from K-puszta, Hungary, a field site with a similar organosulfate composition as that found in the present study for the southeastern U.S., can be as high as 30%

SYNTHESIS, ANTITUMOR ACTIVITY, PHARMACOPHORE MODELING AND QSAR STUDIES OF NOVEL PYRAZOLES AND PYRAZOLO [1, 5-A] PYRIMIDINES AGAINST BREAST ADENOCARCINOMA MCF-7 CELL LINE

Objective: The present work aimed to synthesize New series of pyrazoles 3 and pyrazolo[1,5-a]pyrimidines 5, 7, 9 in order to evaluate their antiproliferative activity against human breast adenocarcinoma MCF-7cell line and study the cell cycle progression of the most active compounds. In addition, Pharmacophore modeling and QSAR Studies of these new compounds were done.Methods: The diazonium salt of 4-aminoacetophenone 1 was coupled with malononitrile in ethanol using sodium acetate affords 2-[(4-acetylphenyl)diazenyl] malononitrile Cycloaddition of hydrazine hydrate, in molar ratios 1:1 or 1:2, on compound 2, furnished 3,5-diaminopyrazolederivatives 3a and 3b respectively. Moreover, new pyrazolo[1,5-a]pyrimidine derivatives 5a-f were obtained upon cyclocondensation of 3a, b with different chalcones 4a-c in EtOH/piperidine,while compounds 7a-f were prepared via cycloaddition of 3a, b with various arylidene malononitriles 6a-c in the same reaction condition. Finally, treatment of 3a, b with ethyl 2-cyano-3-ethoxyacrylate 8a or 2-(ethoxymethylene)malononitrile 8b in EtOH/TEA yielded the novel pyrazolo[1,5-a]pyrimidine derivatives 9a, b respectively. These target compounds were screened for their cytotoxic activity against MCF-7 (human breast Cell Line) followed by study cell cycle of 7a. Finally, Pharmacophore modeling and QSAR Studies was carried out.Results: The pyrazolopyrimidine 7a was the most active compound (IC50 = 3.25 µM), whereas, some of the tested compounds exploited moderate growth inhibitory activity. Its effect was further studied on cell cycle progression; results showed that compound 7a induced cell cycle arrest at S-phase verifying this compound as a promising selective anticancer agent.Conclusion: Compound 7a was found to be the most active member against MCF-7 breast cancer (IC50= 3.25 μM), Further biological assessment of 7a using flow-cytometric analysis, revealed that it induced cell cycle arrest at S phase.Keywords: Pyrazole, Pyrazolo[1,5-a]pyrimidine, MCF-7 breast cancer cell line, Cell cycle profile, 3D pharmacophore,1 QSAR stud