Молекулу N,N-дифенилциклогекса-2,5-диен-1,4-диимина можно рассматривать как структурный фрагмент макромолекулы полианилина в окисленном состоянии. Сравнительный расчѐт структуры этой молекулы проведѐн методами молекулярной механики, полуэмпирической квантовой механики и ab initio (HF DFT). При расчѐте методом DFT использованы функционалы ωB97X-D3, ωB97M-V, ωPBE-D3, M11, M06HF-D3, BLYP-D3, M05-2...

Abstract The scattering of light by aerosol particles dictates atmospheric visibility, which is a straightforward indicator air quality. It affected numerous factors, such as particle number size distribution, mass concentration (PM 2.5 ), ambient relative humidity (RH), and chemical composition. latter two factors jointly influence the liquid water content (ALWC). Here, backscattering coeffici...

The objective of this in vitro study was to evaluate the effects finishing protocols and oral hygiene procedures on surface mechanical properties CAD/CAM ceramics. Specimens (n = 96, (15x10x2mm) leucite glass-ceramic (LGC) feldspathic ceramic (FP) received polishing or glazing. Surface roughness (Ra) microhardness (VHN) were obtained with a profilometer hardness tester, respectively, before aft...

5-Hydroxytryptamine (5-HT) induces proliferation of cancer cells and vascular cells. In addition to 5-HT production by several cancer cells including gastrointestinal and breast cancer, a significant level of 5-HT is released from activated platelets in the thrombotic environment of tumors, suggesting that inhibition of 5-HT signaling may constitute a new target for antiangiogenic anticancer dr...

We explore charge migration in DNA, advancing two distinct mechanisms of charge separation in a donor (d)-bridge ([Bj])-acceptor (a) system, where [Bj] = B1,B2, . , BN are the N-specific adjacent bases of B-DNA: (i) two-center unistep superexchange induced charge transfer, d*[Bj]a --> d[Bj]a+/-, and (ii) multistep charge transport involves charge injection from d* (or d+) to [Bj], charge hoppin...

Abstract. To investigate the characteristics and changes in sources of carbonaceous aerosols northern Chinese cities after implementation Action Plan for Air Pollution Prevention Control 2013, we collected PM2.5 samples from three representative inland cities, i.e., Beijing (BJ), Xi'an (XA), Linfen (LF), January 2018 to April 2019. Elemental carbon (EC), organic (OC), levoglucosan, stable isoto...

We have carried out an independent quantitative evaluation of the galaxy component of the “COSMOS/UKST Southern Sky Object Catalogue” (SSC) and the “APM/UKST J Catalogue” (APM). Using CCD observations our results corroborate the accuracy of the photometry of both catalogs, which have an overall dispersion of about 0.2 mag in the range 17 ≤ bJ ≤ 21.5. The SSC presents externally calibrated galax...