2,998 research outputs found
Regional economic status inference from information flow and talent mobility
Novel data has been leveraged to estimate socioeconomic status in a timely
manner, however, direct comparison on the use of social relations and talent
movements remains rare. In this letter, we estimate the regional economic
status based on the structural features of the two networks. One is the online
information flow network built on the following relations on social media, and
the other is the offline talent mobility network built on the anonymized resume
data of job seekers with higher education. We find that while the structural
features of both networks are relevant to economic status, the talent mobility
network in a relatively smaller size exhibits a stronger predictive power for
the gross domestic product (GDP). In particular, a composite index of
structural features can explain up to about 84% of the variance in GDP. The
result suggests future socioeconomic studies to pay more attention to the
cost-effective talent mobility data.Comment: 7 pages, 5 figures, 2 table
A Holistic In silico Approach to Develop Novel Inhibitors Targeting ErbB1 and ErbB2 Kinases
Purpose: To design a dual inhibitor of natural origin capable of targeting ErbB1 and ErbB2 kinases for the treatment of lung cancer.Method: Advanced In silico drug designing techniques were explored in this study. Sequence and structure analysis of ErbB1 and ErbB2 was followed by three dimensional (3D) pharmacophore. The generated model was used for molecular docking simulation studies for predicting the best natural dual inhibitors, the selected inhibitors were subjected to absorption, distribution, metabolism, excretion and toxicology (ADME/Tox) prediction.Results: The results confirmedfive phytochemicals, viz. hyoscyamide, cannabisin F, cochinchinenene D, cannabisin E, and heliotropamide and five FDA approved drugs namely fesoterodine, antrafenine, fluspirilene, posaconazole, and iloprost to be potential inhibitors of both ErbB1 and ErbB2. The shortlisted compounds from both the panels were showing better MolDock score than the two reference drugs (Lapatinib and Afatinib).Conclusion: The 3D pharmacophore modelling and molecular docking simulations gave us tencompounds that successfully exploited dual inhibition of ErbB1 and ErbB2. With 8 and 12 hydrogenbonds with ErbB1 and ErbB2 respectively cannabisin F showed best interaction of all.Keywords: Receptor tyrosine kinases, ErbB1, ErbB2, Natural products, Pharmacophore, Docking, Cancer therap
Outflows from active galactic nuclei: The BLR-NLR metallicity correlation
The metallicity of active galactic nuclei (AGNs), which can be measured by
emission line ratios in their broad and narrow line regions (BLRs and NLRs),
provides invaluable information about the physical connection between the
different components of AGNs. From the archival databases of the International
Ultraviolet Explorer, the Hubble Space Telescope and the Sloan Digital Sky
Survey, we have assembled the largest sample available of AGNs which have
adequate spectra in both the optical and ultraviolet bands to measure the
narrow line ratio [N II]/H{\alpha} and also, in the same objects, the
broad-line N V/C IV ratio. These permit the measurement of the metallicities in
the NLRs and BLRs in the same objects. We find that neither the BLR nor the NLR
metallicity correlate with black hole masses or Eddington ratios, but there is
a strong correlation between NLR and BLR metallicities. This metallicity
correlation implies that outflows from BLRs carry metal-rich gas to NLRs at
characteristic radial distances of ~ 1.0 kiloparsec. This chemical connection
provides evidence for a kinetic feedback of the outflows to their hosts. Metals
transported into the NLR enhance the cooling of the ISM in this region, leading
to local star formation after the AGNs turn to narrow line LINERs. This
post-AGN star formation is predicted to be observable as an excess continuum
emission from the host galaxies in the near infrared and ultraviolet, which
needs to be further explored.Comment: 19 pages, 13 figures, 3 tables. Accepted for publication at MNRA
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