bluuebunny/crossref_metadata_2025_split huggingface dataset:
A DFT perspective analysis of optical properties of defected germanene mono-layer
Authors: Dhar Namrata , Jana Debnarayan 
Published: July 2018

Abstract
Germanene, germanium version of graphene, is a novel member in the two-dimensional (2D) materials family. In this present study, a theoretical analysis involving optical properties of defected free standing (FS) germanene layer has been performed within density functional theory (DFT) framework. FS buckled germanene exhibits many fascinating and unconventional optical properties due to introductions of adatoms and voids. Arsenic (As), gallium (Ga) and beryllium (Be) are chosen as doping elements. Doping sites (same or different sub-lattice positions) play a crucial role to improve various optical properties. While Be doping, concentrations of Be are increased up to 18.75 % and void concentrations are increased up to 15.62 % (keeping fixed 3.12 % Be concentration). Emergence of several plasma frequencies occur in case of both parallel and perpendicular polarizations for defected germanene layers. Energy positions of peaks corresponding to maximum of imaginary parts of dielectric constants are red shifted for some As and Ga incorporated systems compared to pristine germanene. Absorption spectra peaks are more prominent for Be doped systems rather than void added systems. In addition, conductivity in infrared (IR) region is very high for the Be doped configurations in case of parallel polarization. Along with these, changes in other optical properties like refractive index, reflectivity, electron energy loss spectroscopy etc. are also analyzed briefly in this present study. We hope, this theoretical investigation may be regarded as an important tool to design novel opto-electronic tuning devices involving germanene in near future.
Thermal decomposition of un-irradiated and γ-ray irradiated holmium acetate tetrahydrate. Part 1: kinetics of nonisothermal dehydration of un-irradiated and γ-ray irradiated Ho(CH3COO)3⋅4H2O
Authors: Rashwan Norhan Farghly , Wahid Hossam , Dahy AbdelRahman AbdelMonem , Mahfouz Refaat Mohamed 
Published: July 2018

Abstract
Nonisothermal dehydration of un-irradiated and γ-ray irradiated holmium acetate tetrahydrate with 103 kGy total γ-ray dose absorbed was studied in air atmosphere. The thermal decomposition experiments were conducted at heating rates of (5, 7.5 and 10°C/min). The results showed that for un-irradiated material, the dehydration process proceeds in two decomposition steps with the elimination of 3.0 and 1.0 moles of H2O, respectively. The apparent activation energy, E

a
, as given by both linear and nonlinear isoconversional methods showed dependence upon the conversion degree, α, in the range of 0.2–0.75 for the two dehydration steps. In the first dehydration step, the Ea
decreases from 228.0 kJ/mol at the beginning of the decomposition to ≈64.0 kJ/mol at the end of the process. In the second dehydration step, the Ea
increases from 42.0 to 72.0 kJ/mol by progressively increasing in α. Compared with solid state reaction models, the two reactions are best described by diffusion (D
4) and nucleation (A
3) models for the first and second dehydration steps, respectively. The results derived from nonisothermal data present a reliable prediction of isothermal kinetics. Straight lines and reduced time plots methods were applied for the determination of the kinetic triplet [Ea
, ln A, and reaction model f(α)] from predicted isothermal data. For γ-ray irradiated samples of Ho(CH3COO)3⋅4H2O with 103 kGy total absorbed dose, the dehydration proceeds in two overlapped steps controlled by D
3 model. X-ray data showed phase transformation from monoclinic (SG P2/m) to tetragonal phase (SG P4/mmm) by the elimination of water content from the entire structure of Ho(CH3COO)3⋅4H2O. γ-Ray irradiation effects on the thermal decomposition of Ho(CH3COO)3⋅4H2O were evaluated and discussed based on the formation of trapped electrons, point defects, cation and anion vacancies and cluster imperfections in the host lattice of Ho(CH3COO)3⋅4H2O.
Stability and Spatiotemporal Bifurcations in Spatially Distributed Neural Networks with Nonlocal Delay
Authors: Li Yanqiu , Jiang Juncheng 
Published: July 2018

Abstract
The stability of equilibria and bifurcations of neural networks in a real line with nonlocal delay are presented. A sufficient condition of stable equilibria is declared by the linear part. Eigenvalue analysis implies the existence of bifurcations, and by exploiting typical excitatory and inhibitory connectivity kernels in a neural network, the possible bifurcations are discussed according to various cases. It is an advantageous tool using a multiple-scale method to study the stability of bifurcated travelling waves or spots. As an illustration of our theory, the dynamics of a seashell continuous-time circular mask model are investigated. It is shown that both the shape and range of active function and synaptic weights can affect the dynamics of the model. Finally, the bifurcation set and the variety of bifurcated patterns of the seashell model are numerically revealed.
Isolation of intermediates in the synthesis of new 3,4-dihydro-2H-chromeno[2,3-d]pyrimidines
Authors: Fattahi Mehri , Davoodnia Abolghasem , Pordel Mehdi , Beyramabadi S. Ali , Tavakoli-Hoseini Niloofar 
Published: July 2018

Abstract
Reaction of N-alkyl-2-imino-2H-chromene-3-carboxamides with dimethyl acetylenedicarboxylate (DMAD) in the presence of sodium carbonate as catalyst in refluxing ethanol gave new tricyclic products identified as methyl 3-alkyl-2-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydro-2H-chromeno[2,3-d]pyrimidine-2-carboxylates. In the absence of sodium carbonate, dimethyl 2-((E)-3-(alkylcarbamoyl)-2H-chromen-2-ylideneamino)fumarates were isolated as intermediates. These intermediates could be successfully converted to the same new tricyclic products by heating in ethanol containing sodium carbonate. All new synthetic compounds were characterized on the basis of their FT-IR, 1H and 13C NMR spectra, and microanalytical data. To identify the correct stereoisomer of the intermediates, in one case a 2D nuclear Overhauser effect (2D-NOESY) spectrum together with density functional theory (DFT) calculation at the B3LYP/6-311+G(d,p) level of theory was used.
Influence of high-energy ball milling and additives on the formation of sphere-like α-Al2O3 powder by high-temperature calcination
Authors: Li Sai , Zhu Lingling , Liu Luoqiang , Chen Liugang , Li Hongxia , Sun Chunhui 
Published: July 2018

Abstract
In comparison with the typically worm-like α-Al2O3 powders formed from an unground Al(OH)3 precursor calcined at 1450°C, spherical α-Al2O3 powders with ~1 μm in size were prepared by the calcination of a ground Al(OH)3 precursor with 5 wt.% [NH4]+BF4
− under the same calcination conditions. The influence of a high-energy ball milling pretreatment as well as of the additives on the morphological evolution of α-Al2O3 powders was studied using the commercial precursor Al(OH)3 as raw material. The results indicate that the morphology of α-Al2O3 powders is closely related to the morphology of the Al(OH)3 precursor and to the introduction of different additives. The refinement of the Al(OH)3 precursor in aggregate size and of the primary crystal size by high-energy ball milling has effectively suppressed the neck growth of α-Al2O3 grains. In contrast to the findings made previously with the introduction of 5 wt.% [NH4]+Cl−, the morphology of the α-Al2O3 particles could be significantly improved from a ground Al(OH)3 precursor with the addition of 5 wt.% [NH4]+BF4
−, which resulted in the formation of spherical α-Al2O3 powders with 1 μm size at 1450°C.
Encapsulation of ferrocenes by hydrogen-bonded pyrogallol[4]arene dimers
Authors: Wang Bei , Jia Ai-Quan , Yang Hong-Mei , Liu Jing-Long , Zhang Qian-Feng 
Published: July 2018

Abstract
The treatment of C-iso-butylpyrogallarene (PgC4) or C-ethylpyrogallarene (PgC2) with ferrocene (FcH) in a 2:1 molar ratio under different reaction conditions afforded the host–guest compounds FcH@(PgC4)2·CH3OH·3H2O (1) and FcH@(PgC2)2·3EtOH·2H2O (2), respectively. Complexes 1 and 2 are both pyrogallarene dimers providing capsule-type voids. Single crystal X-ray crystallography was used to investigate the role of hydrogen bonding networks in the assembly of the two host–guest systems.
An unexpected lanthanum chloride carbonate hydrate: synthesis, crystal structure, vibrational spectra and thermal degradation of LaCl[CO3]·3H2O
Authors: Reckeweg Olaf , Lissner Falk , Blaschkowski Björn , Schulz Armin , Schleid Thomas 
Published: July 2018

Abstract
Microcrystalline powders of LaCl[CO3]·3H2O were precipitated and isolated from stoichiometric aqueous solutions of LaCl3·7H2O and Na2[CO3]·10H2O. This confirmed the surprising emergence of corresponding single crystals during a reaction of equimolar aqueous solutions of LaCl3·7H2O and Na[N3] under ambient conditions by the uptake of atmospheric CO2. According to the X-ray structure analysis of colorless, transparent and rectangular single-crystals, LaCl[CO3]·3H2O adopts an orthorhombic structure, space group Pbca with the unit-cell parameters a=856.82(5), b=1598.57(9) and c=967.68(6) pm for Z=8. The tenfold coordination polyhedron around La3+ consists of two monodentate as well as two bidentate [CO3]2− anions together with three oxygen atoms from coordinating water molecules and one chloride anion. According to DSC/TG studies and X-ray powder diffraction, LaCl[CO3]·3H2O loses first its water and then carbon dioxide under thermal treatment up to 900°C to leave LaOCl behind. Vibrational infrared and Raman spectra confirmed the presence of H2O and [CO3]2− in LaCl[CO3]·3H2O and its stepwise degradation at elevated temperatures.
Applications of magnetoliposomes with encapsulated doxorubicin for integrated chemotherapy and hyperthermia of rat C6 glioma
Authors: Babincová Natália , Sourivong Paul , Babinec Peter , Bergemann Christian , Babincová Melánia , Durdík Štefan 
Published: July 2018

AbstractThere is substantial evidence regarding enhanced antitumor cytotoxicity of selected chemotherapeutic agents by appropriate heat exposure (40–44°C). Based upon these results, the integration of hyperthermia as an additional treatment modality given simultaneously with systemic chemotherapy is currently of considerable interest. Hyperthermia can be induced by alternating magnetic field and magnetic nanoparticles. Thus, we have used thermosensitive magnetoliposomes that contained superparamagnetic iron oxide nanoparticles and doxorubicin for in vitro and in vivo therapy of rat glioma C6. The results showed that magnetoliposomes can be specifically heated to 43°C (phase transition temperature of a used lipid composition) in a few minutes, and during this, the encapsulated doxorubicin is released in a controllable manner. The in vitro experiments showed that the cell viability decreased to 79.2% after heat treatment alone and to 47.4% for doxorubicin-loaded magnetoliposomes without application of alternating magnetic field, while the combined treatment resulted in 17.3% cell viability. Also, in vivo results demonstrated that magnetic drug targeting has a strong antiglioma effect with a tumor volume growth inhibition and complete regression. Such targeted delivery and controlled release of anticancer agents would provide clinical advantages compared with currently available methods.
Significantly Lower Rates of Kidney Transplantation among Candidates Listed with the Veterans Administration: A National and Local Comparison
Authors: Augustine Joshua J. , Arrigain Susana , Balabhadrapatruni Krishna , Desai Niraj , Schold Jesse D. 
Published: July 2018

Background
The process for evaluating kidney transplant candidates and applicable centers is distinct for patients with Veterans Administration (VA) coverage. We compared transplant rates between candidates on the kidney waiting list with VA coverage and those with other primary insurance.

Methods
Using the Scientific Registry of Transplant Recipients database, we obtained data for all adult patients in the United States listed for a primary solitary kidney transplant between January 2004 and August 2016. Of 302,457 patients analyzed, 3663 had VA primary insurance coverage.

Results
VA patients had a much greater median distance to their transplant center than those with other insurance had (282 versus 22 miles). In an adjusted Cox model, compared with private pay and Medicare patients, VA patients had a hazard ratio (95% confidence interval) for time to transplant of 0.72 (0.68 to 0.76) and 0.85 (0.81 to 0.90), respectively, and lower rates for living and deceased donor transplants. In a model comparing VA transplant rates with rates from four local non-VA competing centers in the same donor service areas, lower transplant rates for VA patients than for privately insured patients persisted (hazard ratio, 0.72; 95% confidence interval, 0.65 to 0.79) despite similar adjusted mortality rates. Transplant rates for VA patients were similar to those of Medicare patients locally, although Medicare patients were more likely to die or be delisted after waitlist placement.

Conclusions
After successful listing, VA kidney transplant candidates appear to have persistent barriers to transplant. Further contemporary analyses are needed to account for variables that contribute to such differential transplant rates.
Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling
Authors: Weng Zhuangfeng , Shang Yuan , Ji Zeyang , Ye Fei , Lin Lin , Zhang Rongguang , Zhu Jinwei 
Published: July 2018

Background
The slit diaphragm is a specialized adhesion junction between opposing podocytes, establishing the final filtration barrier that prevents passage of proteins from the capillary lumen into the urinary space. Nephrin, the key structural and signaling adhesion molecule expressed in the slit diaphragm, contains an evolutionally conserved, atypical PDZ-binding motif (PBM) reported to bind to a variety of proteins in the slit diaphragm. Several mutations in NPHS1 (the gene encoding nephrin) that result in nephrin lacking an intact PBM are associated with glomerular diseases. However, the molecular basis of nephrin-PBM–mediated protein complexes is still unclear.

Methods
Using a combination of biochemic, biophysic, and cell biologic approaches, we systematically investigated the interactions between nephrin-PBM and PDZ domain–containing proteins in the slit diaphragm.

Results
We found that nephrin-PBM specifically binds to one member of the membrane-associated guanylate kinase family of scaffolding proteins, MAGI1, but not to another, MAGI2. The complex structure of MAGI1-PDZ3/nephrin-PBM reveals that the Gly at the −3 position of nephrin-PBM is the determining feature for MAGI1-PDZ3 recognition, which sharply contrasts with the typical PDZ/PBM binding mode. A single gain-of-function mutation within MAGI2 enabled nephrin-PBM binding. In addition, using our structural analysis, we developed a highly efficient inhibitory peptide capable of specifically blocking the nephrin/MAGI1 interaction.

Conclusions
MAGI1 interacts with nephrin-PBM with exquisite specificity. A newly developed, potent inhibitory peptide that blocks this interaction may be useful for future functional investigations in vivo. Our findings also provide possible explanations for the diseases caused by NPHS1 mutations.
Assessment of the current state and tendency on diversification of development of the basket of oil products at the oil processing entities of Russia
Authors: Bogdanova V. S. 
Published: July 2018

The current state of oil-processing industry is reflected in this article, the main problems of the entities of the Orenburg region are considered. Foreign experience of functioning of the largest world companies is given as comparison and carrying out the detailed analysis (ExxonMobile, Shell, BP, etc.). It is revealed that the production relation at the leading energy industries world companies to conversion is less «1» that speaks about their orientation on high loading and deep conversion while on domestic enterprises this indicator is more than «1». That is the Russian entities are generally export-oriented. Besides, the oil-processing industry of the Orenburg region is characterized by high wearing of fixed assets, low depth of conversion, a high share of «dark» oil products in the total amount of products and as a result – low «light», that is the share products with a high value added is extremely small. In work are developed for liquidation of this imbalance and certain measures, including, measures of tax incentives of release of high-quality (high-octane) products are proposed for implementation. At the same time, at the oil processing entities of the region positive shifts are already distinctly traced: by the leading scientific institutes of the country (CJSC Neftekhimproekt, PJSC Samaraneftekhimproyekt, PJSC NPP Neftekhim, etc.) based on the accumulated domestic and international experience, it is developed and the development program of industries of this industry is implemented, positive dynamics of growth of amounts of oil refining, gradual improvement of quality of the issued motor fuels due to a construction new and upgrades of the existing objects, refusal of production of ethylated motor gasolines, increase in a share of release of the high octane gasolines and environmentally friendly diesel fuels corresponding to quality of euro-5 is traced. Authors consider that the package of measures given in this article will provide a way to innovative and technology development not only oil-processing industry of the region, but also national economies in general.
Efficacy of continuing anti-angiogenic agents in the second-line treatment for metastatic colon cancer depending on the KRAS mutation status: a meta-analysis
Authors: Fedyanin M. Yu. , Tryakin A. A. , Tjulandin S. A. 
Published: July 2018

Objective: to assess the efficacy of anti-angiogenic agents incorporated into second-line chemotherapeutic regimens for metastatic colon cancer depending on the KRAS gene mutation status.Materials and methods. We selected completed prospective randomized controlled phase III clinical trials evaluating the efficacy of antiangiogenic agents (bevacizumab, ramucirumab and aflibercept) added to second-line chemotherapy for metastatic colon cancer with subanalysis of treatment efficacy depending on the KRAS gene mutation status. Meta-analysis was performed using the ReviewManager (RevMan) v. 5.3 (The Cochrane Collaboration, Denmark).Results. Three studies (ML18147, RAISE, VELOUR) involving 2165 patients (1137 with KRAS wild-type tumors and 1028 with KRAS-mutant tumors) met the inclusion criteria and were included into this meta-analysis. The majority of patients (84 %) received bevacizumab in the first-line treatment. The results of our meta-analysis suggest that adding an anti-angiogenic drug to chemotherapy in patients with KRAS wildtype colon cancer significantly improved both progression-free survival (hazard ratio (HR) 0.71; 95 % confidence interval (CI) 0.62–0.80; р<0.00001; I2 = 22 %, p = 0.21) and overall survival (HR 0.76; 95 % CI 0.66–0.88; р= 0.0001; I2 = 0, p = 0.59). In patients with KRASmutant colon cancer, incorporation of an anti-angiogenic drug into the treatment regimen was not associated with better overall survival (ОР0.9; 95 % CI 0.79–1.03; р= 0.11; I2 = 0, p = 0.98), although improved progression-free survival (HR 0.78; 95 % CI 0.68–0.89; р= 0.0002; I2 = 0, p = 0.46). Conclusion. Continuation of anti-angiogenic therapy in the second-line treatment for metastatic colon cancer is most effective in patients with KRAS wild-type tumors. In individuals with KRAS-mutant tumors, continuation of bevacizumab or switch to another anti-angiogenic agent in the second-line treatment improves progression-free survival and has a statistically insignificant effect on overall survival.
Vestigia de Ovídio em três biografias da obra De mulieribus claris de Giovanni Boccaccio
Authors: Juliani Talita Janine 
Published: July 2018

Em seu catálogo Sobre as mulheres famosas (De mulieribus claris), escrito entre 1361-1362, Giovanni Boccaccio explora o universo mítico greco-romano, retratando a vida de figuras femininas notáveis (clarae) da Antiguidade. Estudos anteriores sobre o De mulieribus claris tendem a ser marcados por um viés dicotômico, que oscila entre apontar um caráter moralista (cristão) ou “meramente” literário nas biografias. Eruditas “pesquisas de fontes” (Quellenforschungen) – as quais são normalmente associadas à segunda perspectiva – destacam, entre outras fontes clássicas, a obra do poeta Ovídio (43 a.C.-17 d.C.). O objetivo central a que se dedica este artigo é investigar como a poesia do autor romano é aludida em De mulieribus claris, e explorar efeitos de sentido de tal presença no catálogo em estudo. Referências ao texto de Ovídio serão apreciadas, valendo-se de preceitos de teoria Intertextual aplicada às Letras Clássicas, em passagens de três biografias, a saber, Tisbe (XIII), Medeia (XVII) e Safo (XLVII). A observação da relação entre os textos dos autores antigo e moderno nos fornece indícios de como se dá o processo de ressignificação do material da Antiguidade na obra boccacciana, passando, de fato, tanto pela reinterpretação de elementos mitológicos no âmbito de uma perspectiva moral cristã, quanto por movimentos de referenciação que filiariam Boccaccio aos grandes autores da Antiguidade.