The polyphenyl chains with $n$ hexagons are the special graphs of unbranched polycyclic aromatic hydrocarbons. The objective of this study is to find the expected values of the multiplicative version of the atomic-bond connectivity index and geometric-arithmetic index of this class of special hydrocarbons. The average values of these two indices with respect to the set of all polyphenyl chains have been determined. Finally, the comparisons between the expected values of the aforementioned indices in the random polyphenyl and spiro chains, have been outlined.
Fermentation of the pentose fraction from hemicellulosic hydrolysate is an important challenge to be studied in second generation ethanol (E2G) production. In this sense, we have tested non-conventional (Scheffersomyces stipitis and Spathaspora passalidarum) and recombinant yeast strains (Saccharomyces cerevisiae recombinant MP-C5 and MP-C5H1) capable to uptake xylose with the aim to design a strategy for E2G production. Growth tests in different carbohydrates (glucose, xylose, glucose + xylose and sucrose + xylose) have shown that the integration of xylose and sucrose presented better results for all yeast tested, and the co-fermentation of these sugars provided faster xylose consumption by S. cerevisiae recombinant. One the other hand, Sp. passalidarum do not present high performance of sucrose consumption in microanaerobic fermentation conditions and an intracellular invertase high activity was observed by this yeast. S. cerevisiae MP-C5H1 presented best performance for fermentation tests and a batch strategy with high cell density was designed. By this strategy was possible to achieve high ethanol yield (0.48 g g-1), titer (53.7 g L-1) and global ethanol productivity (2.24 g L-1 h-1).
Maize and teosintes are excellent systems for study of population and ecological genomics, as well as teosintes provide excellent germplasm resources for forage maize breeding. However, genetic relationship, evolution, hybridization and introgression among the genus Zea species have not been completely resolved and effective methods for Zea species classification and identification are scarce. In current study, nuclear (ITS), mitochondrial DNA (atp6, cob and nad1) and chloroplast DNA sequences (matK, psbA-trnH and rbcL) were used to explore as a simple and efficient DNA barcode for identification and genetic study of the Zea species. Phylogenetic incongruence between nuclear and cytoplasmic sequences detected in present study. The lowest divergence value from pairwise comparisons were found between Z. mexicana and Z. parviglumis based on combined six cytoplasmic sequences and Z. mexicana and maize showed lowest divergence value based on ITS sequences. It is suggested that single-gene data sets and combined data sets of six cytoplasmic sequences failed to identify and classify every species at inter-species level, however, the combined data set containing ITS and atp6 can identify and classify Zea species perfectly. Moreover, the tetraploid Z. perennis was confirmed an autotetraploid of diploid Z. diploperennis reflecting from phylogenetic tree based on combined six cytoplasmic sequences.
Abstract Background and Purpose: The 2019 novel coronavirus (COVID-19) has been spread out since December 2019 from China to 29 countries. No effective treatment is currently available, although the combination regimen of the antiretroviral drugs– lopinavir/ritonavir (LPV/r), with other antiviral drugs have been using, but the evidences are limited. A recent in vitro study showed that chloroquine could inhibit COVID-19 to cells, and enhance antiviral efficacy. This study aimed to predict the optimal dose regimens of LPV/r, and chloroquine in combination as a potential treatment of COVID-19 infection, using the physiologically-based pharmacokinetic (PBPK) modelling. Experimental approach: The whole PBPK models were constructed. The predicted plasma drug concentrations were compared with the published clinical data. The validated models were used to predict optimal dosage regimens of LPV/r, and chloroquine co-administration. The optimal dose regimen was determined based on the efficacy, and toxicity reported in the published data. Key Results: The average errors of the predicted values were within 30% of the observed data. The proposed optimal dosage regimen is the once-daily dose of 800/200 mg LPV/r co-administered with chloroquine at a loading dose of 1,000 mg, followed by twice-daily dose of 500 mg for 8 doses on the second day, and the twice-daily dose of 400 mg for 18 doses. Conclusion and Implications: PBPK modelling successfully predicted pharmacokinetic profiles within an acceptable range of errors. The study provides a focus for clinical studies to confirm the efficacy of the proposed dosage regimen as a novel treatment for COVID-19 infection.
The objectives of this study are to test innovations for the farms diagnosis, to locate erosion and to correct them with changes in the way of soil management, to aiming transforming Rio do Peixe Watershed properties that were degraded, rehabilitating them, promoting conservationist agriculture whit evaluating the results through remote sensing and water quality indicators. Secretariat of Agriculture of São Paulo State (SA), responsible for applying the Soil Conservation Law, has been carrying out this study for 20 years, working up 772,000 ha, with 19,846 agricultural properties. In 2019, it turned twelve years of inspection/monitoring at the Rio do Peixe Watershed. From 2007 to 2017 14,076 ha were inspected in Vera Cruz, with notification of 94 properties that went from degraded into agricultural companies. In Ocauçu, 82 properties were notified, on 8,125 ha. Besides other tested methodologies, model airplanes and helicopters, in Marília the Innovative CAD Methodology was used, which allowed 52 properties to be inspected on 27,000 ha from 2017 to 2019. There were transformations of degrading agriculture into conservation agriculture on the study carried out at Rio do Peixe Watershed. Property with degraded pasture turned into an agricultural area, with the no-tillage system. Pastures were recovered with the Integrated Crop-Livestock Systems, where the occupancy rate was increased by 31% comparing to the original situation. It is a great work that benefits the Watershed farmers and the population in the region, including improving the water quality that supplies Marília. It is the SA “Caring for the Well-Being of Society”.
We prove the existence and uniqueness of global strong solution to the free boundary problem in one dimensional compressible Navier-Stokes system for the viscous and heat conducting ideal polytropic gas flow, when the viscosity and heat conductivity depend on temperature in power law of Chapman-Enskog and the data is in the neighborhood of some background solution at initial time. We also study the large time behavior of the solution and obtain its decay property.
In this paper, we prove the well-posedness of the solution to the three-dimensional Boussinesq system with nonlinear damping term. Existence, uniqueness and continuous dependence with respect to initial data of the weak solution are proved, under minimum regularity requirement in Sobolev and Lebegue spaces. Energy method, compactness method, and appropriate technical lemmas are used.
Desertification models do not include analyses of rainfall, temporality, field visits and projection scenarios. The objective is to evaluate desertification under levels of vegetation, soil and albedo, construct forecast models and analyze its variability with time and rainfall. Landsat TM was used for NDVI, TGSI and albedo between 2000 and 2008 in dry and rainy periods in Irauçuba Centro Norte (ICN) and in the National Forest of Sobral (FLONA). Desertification levels and indices of 30 pixels were quantified and their means were inputs in the ARIMA model. The results showed vegetation and albedo at different levels of desertification. The medium desertification class of NDVI increased by 18% at ICN and the low desertification class of albedo increased by 3%. TGSI showed the class severe at ICN and FLONA. The AR(3) model indicated reduction in NDVI, while MA(1) for TGSI and albedo showed severe and low level. ARMA(2,1) showed optimistic scenario of recovery for pixels with desertified NDVI and Albedo of FLONA. The AR(3) model for TGSI of FLONA showed a reduction of 0.0006504 in 70 years. Anthropic practices and climate were responsible for the desertification of ICN, while FLONA was shown to be non-desertified, but NDVI and TGSI were affected by the anthropic practices. Therefore, desertification showed different levels at ICN, rainfall and time affected vegetation and albedo at ICN and FLONA. ARMA(2,1) models showed that the prospects of desertification reversal are greater for FLONA.
Persian oak decline is a syndrome within the oak decline complex in Iran. Profuse stem bleed-ing and larval galleries of the native buprestid, Agrilus hastulifer characterize the disease. A systematic study comparing healthy with diseased trees was undertaken. This work reports the result of isolations from healthy trees and diseased tissue in affected trees, at eight sites in Iran. Culturable bacterial communities were identified using the 16S rDNA sequencing. A significantly higher proportion of symptomatic tissue pieces from diseased trees (Disease In-dex=5) yielded bacterial growth than other disease indexes (83.78%). Significantly higher yields were also obtained from bulk and rhizosphere compared with the root, leaf, and stem. Overall bacterial communities compositions varied at each site, but significant similarities were evident in diseased tissues at all sites. Enterobacteriaceae were dominated in diseased trees whereas Bacilluceae and Moraxellaceae were remarkable more abundant in healthy trees. Sig-nificant associations occurred between diseased tissues and certain bacterial species, implying that the cause of tissue necrosis was not due to random microbiota. Brenneria goodwinii, Ser-ratia marecescence, and Dickeya chrysanthemi were key species consistently isolated from diseased tissue; Campylobacter jejuni and an un-named Clostridium taxon were also frequent-ly isolated from both healthy and diseased trees. It was concluded that there was a shift in the cultivatable bacterial microbiome of diseased trees, with Enterobacteriaceae strongly repre-sented in symptomatic but not healthy tissues. No single dominated species was isolated from diseased tissues, so tissue degradation in oak likely have a polymicrobial cause.
We have recently described a non-chromatographic, ligand-free approach for antibody (Ab) purification based on specially designed: [Tween-20:bathophenanthroline:Fe2+] aggregates. To assess the potential generality of this approach, a variety of detergents belonging to four nonionic detergent families (Tween, Brij, Triton and Pluronic) have now been studied. All surfactant aggregates lead to high purity of the recovered Abs (>95%, by gel densitometry). Good overall Ab recovery yields were observed with: Tween-20 (80-83%), Brij-O20 (85-87%) and Triton X-100 (87-90%), while Pluronic F-127 was less efficient (42-53%). Of additional importance is the finding that the process can depend on filtration (rather than centrifugation), thereby allowing a continuous purification mode that leads to the recovery of monomeric IgG’s (by DLS) and preservation of Ab specificity (by ELISA). The amphiphilic chelator, bathophenanthroline (batho) is recycled almost quantitatively (95%) by crystallization. Good IgG recovery yields (~80%) are also observed when Ab concentrations are increased from 1 mg/ml to 3-5 mg/mL. Potential advantages of the purification platform for industrial downstream processing of therapeutic monoclonal antibodies (mAbs), are discussed.
In the current research chor, we are reporting the synthesis of 2-amino-6-methylpyrimidin-4-yl benzenesulfonate (AMPBS) and 2,6-diaminopyrimidin-4-yl benzenesulfonate (DAPBS) via O-benzenesulfonylation of 2-amino-6-methylpyrimidin-4-ol 1 and 2,6-diaminopyrimidin-4-ol 2 respectively. The structures of the synthesized compounds were characterized unambiguously by single crystal analysis (SC-XRD).Hirshfeld surface study showed that C-H…O, C-H…N and especially C-H…C hydrogen bond interactions are the key contributors to the intermolecular stabilisation in the crystal. The quantum chemical understanding about optimized geometry, natural bond orbitals (NBOs), frontier molecular orbitals (FMOs) and nonlinear optical (NLO) analysis for AMPBS and DAPBS were obtained by applying density functional theory (DFT) at B3LYP level and 6-311G(d,p) basis set. Time dependent density functional theory (TD-DFT)/ B3LYP/ 6-311G(d,p) level were employed to determine the photo physical properties of compounds. As a whole, the simulated results were found to have an excellent concurrence to the experimental results. The charge transfer phenomenon entitled compounds was determined by FMOs. Global reactivity parameters were obtained by using HOMO–LUMO energies of compounds. Overall, the computational results of AMPBS and DAPBS have outstanding agreement to experimental data. The computational study also showed that the title compounds have remarkable NLO properties.
Background and Purpose: Minimal hepatic encephalopathy (MHE) is implicated in the impairment of memory function. Fibroblast growth factor-2 (FGF2) is involved in modulating synaptic and neuronal formation. Experimental Approach: The aim of this study is to examined the impacts of FGF2 on MHE pathology. Our study addressed whether FGF2 could trigger neuregulin 1 (NRG1) release to ameliorate synaptic impairment in MHE rats and in primary cultured neurons. Key Results: The results showed the decreased FGF2 expression in MHE brains. After treatment with FGF2, secreted neuregulin 1 (NRG1) and ErbB4 were increased, and the interaction of the 2 proteins was enhanced. Additionally, treatment with FGF2 or NRG1 induced synaptic formation, with increase in the activity of synapse and the density of dendritic spine, through Sirt1. NRG1 signaling was prevented by administration of FGF2, which acts through the FGFR1 in MHE rats. Finally, intracerebroventricular injection with FGF2 or NRG1 mitigated the impairment of synaptogenesis. Conclusions and Implications: The data suggest that FGF2 may be a promising latent therapeutic reagent for MHE pathogenesis.
There is not any medicine during the emergency of 2019-nCov has been an outbreak and we have already found antiviral phytomedicine Chinese elderberry will be inhibition of 2019-nCoV.This commentary used to be presented in June of 2013 at the first international symposium for the elderberry, the conference, held in the USA, many scientists were surprised to learn of the 9 native species of elderberry in China. This paper aims to publish our comment on the elderberry, as, since our initial presentation in 2013, no English literature references are present in China. Most Chinese horticulturists and farmers consider the elderberry a wild plant. It is regarded as a plant of little value due to its abundance and ease of harvest. This article contains details of the Sambucus species groups, including the botanical names, Chinese common names, geographic distributions, economic uses and full descriptions of the elderberry. In southwest China, where the climate is mildly warm, there are 2 species of elderberries; one, Sambucus adnata, is termed the “blood-red herb-elderberry” by local residents as the roots, rhizomes, and branches exude red-juice when broken. The second, named S. javanica or S. chinensis, is commonly called the “herb-elderberry”. In northeast China where the climate is cold, there are 7 species of elderberry, however, most scientists recognize only 2 main species: Sambucus. williamsii, commonly called the “woody-elderberry”, and Sambucus sibirica, commonly called the “Siberian woody-elderberry”. The other 5 species of elderberry in northern-east of China.
L-lysine amino acid is cocrystallized with L-mandelic acid by the slow evaporation method. Single crystal X-ray analysis reveals that lysine-mandelic acid crystallized as a dihydrate form. In the crystalline state, the lysine molecule exists in the cationic form in which the backbone and side chain amino groups are protonated and the carboxylic acid is deprotonated. The carboxylic acid proton of the mandelic acid is transferred to the lysine side chain and thus carries a negatively charged ion. The lattice water molecules are located near the amino groups of the lysine. Intermolecular interactions formed between lysinium, mandelate and lattice water molecules are qualitatively analyzed using Hirshfeld surfaces and 2D-fingerprint plots. The energetics of different dimeric complexes is quantitatively analyzed using PIXEL energy analysis. Topological parameters derived from QTAIM framework are used to delineate the nature of different intermolecular interactions formed in the title complex.
1. Global warming is rapidly emerging as a universal threat that could alter the distribution of many animal species and change their morphology, physiology, behavior and life history. The heat dissipation limitation (HDL) hypothesis proposes that females’ reproductive performance is limited by their capacity to dissipate heat. Although exposure to wind is known to increase heat exchange, its effect on reproductive performance is unknown. 2. In this study, the effect of simulated wind on the energy budget and milk energy output of female striped hamsters (Cricetulus barabensis) was measured under cool (21°C) and hot (32.5°C) ambient temperatures and the preference of hamsters for windy conditions in lactating females was tested both in the laboratory and the wild. 3. Females lactating at 32.5°C significantly decreased their energy intake and milk output, and raised lighter offspring than those lactating at 21°C. Exposure to wind significantly increased both energy intake during lactation and heat loss at both temperatures. Females lactating at 32.5°C considerably increased their reproductive output when exposed to wind. Moreover, females kept at an ambient temperature of 21°C preferred sheltered conditions whereas those kept at 32.5°C preferred exposure to simulated wind. We captured significantly more lactating female hamsters on windy days in summer and on calm days in spring. Wrapping a glass vessel in the fresh pelt of a striped hamster significantly reduced the rate of both water loss and cooling. 4. These findings support the HDL hypothesis; high ambient temperatures do appear to limit the energy intake and reproductive output of lactating hamsters. Small mammals lactating under hot conditions may be able to utilize the cooling properties of wind to increase their energy intake and milk production, and thereby their reproductive output and fitness.
his study describes the response of Arthrospira platensis to a variety of temperature conditions as reflected in variations of photosynthetic parameters, pigmentation, and biomass productivity in indoor photobioreactor (PBR) cultivations. These experiments are designed to better understand the impact of temperature, seasonal variations, and acclimation effects on outdoor biomass production. The irradiance levels and temperature range (20 – 39°C) are chosen to enable modeling of semi-continuous operation of large-scale outdoor PBR deployments. Overall, the cultivations were quite stable with some pigment-related instabilities after prolonged high temperature exposure. Changes in productivity with temperature, as reflected in measured photosynthetic parameters, are immediate and mainly attributable to the temperature dependence of the photosaturation parameter, a secondary factor being variation in pigment content. This study confirms that temperature is critical for optimal performance of Arthospira platensis for both biomass and pigment production and provides a basis for risk assessments related to temperature mitigation for large-scale outdoor cultivations. Finally, the biomass productivities in a semi-continuous operation mode are quantitatively reproduced with a productivity model incorporating the photosynthetic parameters measured herein. Those productivities are in good agreement with extensive outdoor testing in PBR arrays at large scale (24,000 L) and over long time periods (up to 18 months).
This DFT study treats thermal metal-catalyzed alkene aziridination by azides, where the catalysts are copper(II) triflate, cobalt(II) porphin and ruthenium(II) porphin. Three azides RN3 (R = H, Me, Ac) react with alkene substrates in the presence of these catalysts leading to aziridine formation by a two-step catalysed mechanism. In Step I, the azide reacts with the catalyst to first form a metal nitrenoid via transition state TS1. The Ru(porph) catalyst is particularly effective for Step I. In Step II, the metal nitrenoid adds to the alkene via TS2 giving the aziridine product. Cu(trfl)2 is most effective as a catalyst for Step II. The facility order H > Me > Ac (with respect to the azide R group) holds for Step I, and the reverse order for Step II. Transition states TS1 and TS2 are described as “early” and “late”, respectively, in good accord with Hammond’s postulate.
Single-nucleotide polymorphisms (SNPs) have numerous advantages over microsatellites, including greater power to infer population structure and history and to detect loci undergoing selection. Here, we conduct the first continental-level SNP study of polar bears (Ursus maritimus) using genotypes from an array of 5441 SNP loci genotyped in 16–30 polar bears sampled in each of 16 geographic regions in Canada and West Greenland. Our study aimed to assess population history and genetic structure and to identify evidence of adaptive loci. Using these data, we confirmed the existence of four broad-scale genetic clusters in North America (FCT = 0.035) and identified nine fine-scale subclusters using more powerful spatial methods. An assessment of historical patterns of migration suggests that polar bears migrated into North America from the Beaufort Sea after the last glacial maximum. Using a conservative approach, we identified 17 loci that may represent adaptive variation, including one SNP in the 3’ untranslated region of PDLIM5 (PDZ And LIM Domain 5), a gene involved in cardiovascular function, which has undergone substantial selection in polar bears since their divergence from brown bears. Outlier loci differentiated the Norwegian Bay genetic cluster more strongly from remaining clusters than did our complete dataset, suggesting possible adaptive differences in the High Arctic. Through careful consideration of SNP loci, sample inclusion, and analytical approaches, we provide a comprehensive picture of polar bear population structure at a continental level. This study provides a model for the analysis of wide-ranging species that can contribute to their conservation and management.