bluuebunny/crossref_metadata_2025_split huggingface dataset:
Preventive effect of small‐leaved Kuding tea (Ligustrum robustum) on high‐diet‐induced obesity in C57BL/6J mice
Authors: Wu Ya , Yang Jun , Liu Xiaojing , Zhang Ying , Lei Ailing , Yi Ruokun , Tan Fang , Zhao Xin 
Published: July 2020

AbstractSmall‐leaved Kuding tea (SLKDT; Ligustrum robustum) is a traditional Chinese tea. We systematically investigated the effect of SLKDT extract on obesity. SLKDT‐controlled weight gain in mice fed a high‐fat diet. Tissue specimen results showed that the SLKDT extract alleviated liver damage and fat accumulation. Meanwhile, SLKDT extract improved dyslipidemia by decreasing total cholesterol, triglycerides, and low‐density lipoprotein cholesterol levels and increasing high‐density lipoprotein cholesterol levels. Furthermore, SLKDT extract reduced alanine aminotransferase, alkaline phosphatase, and aspartate transaminase levels in the serum and liver tissues; decreased inflammatory cytokines, including interleukin (IL)‐1β, tumor necrosis factor‐α, interferon‐γ, and IL‐6; and increased the anti‐inflammatory cytokines, IL‐4 and IL‐10. The quantitative PCR results showed that SLKDT extract upregulated the mRNA expressions of peroxisome proliferator‐activated receptor (PPAR)‐α, lipoprotein lipase, carnitine palmitoyltransferase 1, and cholesterol 7 alpha hydroxylase and downregulated PPAR‐γ and CCAAT/enhancer‐binding protein‐alpha mRNA expressions in the obese mouse livers to reduce adipocyte differentiation and fat accumulation, promote fat oxidation, and improve dyslipidemia, thereby inhibiting the immune response and alleviating liver injury. SLKDT shows a potential for preventing obesity and regulating obesity‐related syndrome, so it is possible to be further developed as a novel treatment for fighting obesity.
Assessing inflow variability at rim stations of the Indus Basin Irrigation System*
Authors: Abbas Yasir , Khan Noor Muhammad , Mughal Habib‐Ur‐Rehman , Mahmood Khalid 
Published: July 2020

AbstractHaving one of the largest interconnected irrigation systems in the world, the distribution of irrigation water in Pakistan is largely dependent on river supplies. Seasonal planning of water distribution in the country ignores day‐to‐day inflow variability which impacts water distribution operations. This study has been carried out to assess the inflow variability at four rim stations of the Indus Basin Irrigation System (IBIS) in Pakistan, namely: Kabul River at Noshera, Indus River at Tarbela, Jhelum River at Mangla, and Chenab River at Marala. Nine vital hydrological parameters, depicting various aspects of variability, were computed using 24 years of daily inflow time series. Analysis indicated that Mangla and Marala stations depicted more instances of high flow pulses, which highlighted their flashy nature compared to Noshera and Tarbela whose contributions were mainly from snowmelt. Mangla and Marala stations also depicted higher variations in terms of number and duration of low flow pulses, whereas least low flow variations were observed at Tarbela. Assessment of variability indicated that Tarbela exhibited minimum variations in inflows in the months of October to January, while Marala showed highest inflow variations among all stations in the same months. This study identified successfully the critical months of high flow variability, in addition to identification of the climate shift in the region—two aspects that need attention in future planning and operations.
Factors of relevance for improving the uniformity of oxygen distribution in drip irrigation water*
Authors: Lei Hongjun , Liu Huan , Balsys Ron , Midmore David J. , Zang Min , Bhattarai Surya 
Published: July 2020

AbstractAerating water using microbubbles in irrigation for drip and subsurface drip irrigation systems has been reported to produce positive effects on plant growth and yield. However, maintaining the uniformity of bubble distribution in irrigation lines across long‐row configuration is a challenge.Air injection of microbubbles in irrigation water using a gas diffuser (Seair Diffusion System, Model SA75) has a significant gain in dissolved oxygen (DO) distribution over 850 m length of drip tape. Furthermore, with oxygen injection with a Venturi, DO in irrigation water reached as high as 44 ppm and was maintained well above 35 ppm up to a distance of 700 m and did not drop below 20 ppm, even at a distance of 850 m. Pressure compensated emitters recorded significantly higher DO concentrations compared to non‐pressure compensated emitters along the entire length of the irrigation line.Additionally, use of surfactant in irrigation water, up to 4 ppm, resulted in increased gas void fraction and DO concentration compared to the control for both air and oxygen injection irrigation. Highest oxygen saturation was recorded with 4 ppm surfactant, both for air injections (165%) and oxygen injection (438%) treatment along 200 m of non‐pressure compensated drip tape.
Morphological and chemical analysis of surface interaction of irrigant‐endosequence root repair material
Authors: Abu Zeid Sawsan T. , Alamoudi Ruaa A. , Merdad Khalid 
Published: July 2020

AbstractThis study aimed to evaluate the characterization of chemical interaction of root canal irrigants on the surface of EndoSequence root repair materials using spectroscopy analysis. Round discs of putty and paste were obtained and immersed in saline, sodium hypochlorite (NaOCl), or chlorhexidine. On the surface of chlorhexidine treated putty, diffuse red pigmentation was detected by Raman analysis and diffuse black pigmentation having unusual needle‐like shaped crystals was detected by scanning electron microscopy. This pigmentation formed from nitrogen‐rich compounds detected by Raman, infrared spectroscopy, and X‐ray diffraction analysis. Mineral/amide ratios were increased by NaOCl and significantly decreased by chlorhexidine. Carbonate/phosphate ratios showed no significant changes by NaOCl, while a significant decrease by chlorhexidine. A full half of maximum widthRaman of the phosphate band was significantly increased by NaOCl, while decreased by chlorhexidine. In conclusion; nitrogen‐rich compounds produced by chlorhexidine altered the surface morphology of the putty without crystallinity reduction. However, NaOCl reduced the organic fillers that affected its binding to phosphate ions. This reaction affects the chemical properties and perfection of root repair material. The clinicians should be aware of different irrigants to be used after repairing the perforation.
Diagnostic value of point‐of‐care ultrasound in deep vein thrombosis in the emergency department
Authors: Canakci Mustafa Emin , Acar Nurdan , Bilgin Muzaffer , Kuas Caglar 
Published: July 2020

AbstractPurposePoint‐of‐care ultrasound (POCUS) has been demonstrated as one of the primary diagnostic tools for deep vein thrombosis (DVT) screening in the emergency department, but there are quite different results in the literature regarding its diagnostic value. The aim of this study is to assess the diagnostic value of POCUS in DVT diagnosis.MethodsPatients with a clinical suspicion of DVT who underwent POCUS and were monitored by the radiology department via ultrasonography (US) or venography for DVT were retrospectively examined. POCUS examination for DVT was performed in the femoral and popliteal regions by a two‐point compression technique. The inclusion criteria were age >18 years and patients with both a POCUS report and venography or US examinations performed by the radiology department (RUS) and reported by the radiology clinic. RUS and venography were considered as the gold standards.ResultsThe study included 266 patients. POCUS had a sensitivity of 93% (95% CI: 84‐98) and specificity of 93% (95% CI: 89‐96). Its positive likelihood ratio (LR+) was 14 (95% CI: 8‐24), and its negative likelihood ratio (LR−) was 0.08 (95% CI: 0.03‐0.19). POCUS also had a positive predictive value (PPV) of 83% (95% CI: 74‐89) and a negative predictive value (NPV) of 97% (95% CI: 94‐99).ConclusionsOur study verifies that POCUS has high specificity and sensitivity for the examination of the popliteal and femoral veins by an emergency physician to evaluate patients with a preliminary diagnosis of DVT.
High‐contrast optical microscopy of graphene sheets
Authors: Rashidian Vaziri Mohammad Reza 
Published: July 2020

AbstractIn the way of making graphene an industry‐friendly material, it must be mass‐produced with high‐quality and reduced cost over large areas. Assisted by machine‐learning techniques, rapid, nondestructive and accurate determination of large graphene sheets on SiO2/Si substrates has been made possible in recent years by the optical microscopy method. Optimization of the substrate to achieve the maximum contrast can further extend the application of the optical microscopy method for quality control of the mass‐produced graphene. Graphene/n2/n3three‐layer structures, where n2 and n3 are refractive indices, are routinely used for identifying the number of graphene layers by optical reflection microscopy. In this paper, two analytical equations are derived that can be easily used for high‐contrast optical imaging of graphene sheets without any need to resort to the cumbersome numerical methods. One of the equations is derived for choosing the best material with refractive index n2 that when coated on a substrate with refractive index n3, maximizes the optical contrast. The other equation is derived for finding the best thickness of the SiO2 layer in graphene/SiO2/Si structures, which are in common use for fabrication of graphene‐based devices. The results are implemented in a MATLAB GUI, see Supporting Information, to assist the users in using the equations.
Investigating the phonon line shapes of TMDs: An analytical approach
Authors: Zhou Chenzhang , Adu Kofi W. 
Published: July 2020

AbstractSeveral phenomena can affect the phonon bands of low‐dimensional systems, and their proper assignment and interpretation are essential in elucidating their effect on electronic, optical, and optoelectronic properties. Using an analytical approach, we investigate the similarities and differences of the layered effect, the phonon confinement effect, the Breit–Wigner–Fano effect, the inhomogeneous heating effect, and disorder‐induced effects in the phonon line shapes of WS2 and MoS2. The subtle differences and similarities are critical in making proper assignments and interpretations of the phonon line shapes and are useful as guidance in the behavior of phonon bands, particularly in TMDs, and more generally in low‐dimensional systems.
Evolution of social microenterprises from rural to the urban area: A study on income‐generating micro‐entrepreneurs in an urban context
Authors: Mohiuddin Muhammad , Mazumder Mohammad Nurul Huda , Al Mamun Abdullah , Su Zhan 
Published: July 2020

AbstractMicro‐entrepreneurial activities in small‐scale trading in an urban context generate incomes and reduce poverty of marginal city dwellers. They are viable but need to adapt to the socio‐economic system where they operate. The types of micro‐entrepreneurial activities vary between rural and urban contexts. The delivery cost of microfinance services in urban areas is cheaper than in rural areas.
Sustainability management in Russia: Values, motives, and assessment
Authors: Fomina Yulia , Apenko Svetlana 
Published: July 2020

AbstractThe assessment of social enterprises and business organizations shows an “average” maturity level of sustainability management in Russia. The assessment methodology is defined along four dimensions of sustainability, including the three basic dimensions (economic, ecological, and social), plus the institutional dimension. The maturity level of sustainability management depends on the size of the organization and the level of project implementation, but not on the type of enterprise (social or business). The motives of sustainability management hardly depend at all on the type of enterprise in Russia.
Quantitative determination of aloin, antioxidant activity, and toxicity of Aloe vera leaf gel products from Greece
Authors: Kaparakou Eleftheria H , Kanakis Charalabos D , Gerogianni Maria , Maniati Matina , Vekrellis Kostas , Skotti Efstathia , Tarantilis Petros A 
Published: July 2020

AbstractBACKGROUNDAloe vera is a popular medicinal plant used widely by the cosmetic, pharmaceutical, and food industries. The A. vera leaf gel, which is used mostly for its positive effects on human health, contains over 75 different bioactive compounds, including aloin. Aloin is a toxic compound, and its content in A. vera leaf gel products depends on the different cultivation conditions and especially on leaf processing.RESULTSIn this study, A. vera leaf gel products, varied in terms of leaf processing, were analyzed using liquid chromatography for their aloin content, their antioxidant activity by 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonate) radical cation (ABTS·+) and the 2,2‐diphenyl‐1‐picrylhydrazyl radical (DPPH·) antioxidant activity assays and their toxicity against Aliivibrio fisheri and SH‐SY5Y cells. In the samples processed with industrial methods and in those filtered in the lab, the content of aloin was found below the limit (0.1 mg L−1) of the EU legislation however, the unprocessed and unfiltered samples were found to contain more than 10 mg L−1. Antioxidant activity was estimated to vary from 1.64 to 9.21 μmol Trolox mL−1 for DPPH· and from 0.73 to 5.14 μmol Trolox mL−1 for ABTS·+. Toxicity values on A. fisheri, expressed as the concentration at 50% loss of initial luminescence, ranged from 0.03 to 0.09 mg mL−1. The cytotoxic study indicated that aloin A at low concentrations (1 and 10 μg mL−1) protects SH‐SY5Y cells from toxicity induced by hydrogen peroxide.CONCLUSIONSConsequently, the filtration process of A. vera leaf gels, either laboratory or industrial, resulted in aloin A content below the EU legislation detection limits. © 2020 Society of Chemical Industry
Infrared thermography as evaluation method of a faulty status of a LED LCD TV
Authors: Glavaš Hrvoje , Barić Tomislav , Jukić Dina , Desnica Eleonora 
Published: July 2020

AbstractThe paper presents the application of infrared thermography in the detection of anomalies (hotspots) that may lead to defects of the backlight unit, which are not yet noticeable in the visible part of the electromagnetic spectrum. It is shown on a practical example of an LED LCD TV how hotspots at the maximum level of brightness led to the failure of one element of the LED backlight segments in 2 years time. Once the faulty element was detected, brightness was reduced in order to preserve the remaining LED elements. Infrared thermographic analysis of the faulty state was repeated and compared with measurements of photometric values. The thermal analysis results, before and after failure, are displayed in line at the area of the LED elements and in 3D on the screen surface. The photometric analysis was done on the full‐screen area in each of the RGB channels and then followed with in‐detail measurements on 200 points. As most photons emitted from the diode are dispersed to the sides of the display due to the lens mounted on top of each LED and other optical elements, data obtained by photometric means are not as precise in the positioning of faulty LEDs, as ones obtained by thermal inspection.
Estimation of Ionic Liquids Toxicity against Leukemia Rat Cell Line IPC‐81 based on the Empirical‐like Models using Intuitive and Explainable Fingerprint Descriptors
Authors: Wu Ting , Li Wanli , Chen Mengyao , Zhou Yanmei , Zhang Qingyou 
Published: July 2020

AbstractIonic liquids as green solvents have been paid extensive attention in recent years. However, mostly it is cost and time‐consuming to measure their properties. Thus, theorical methods, especially ultrafast chemoinformatics methods were introduced into these studies. Instead of abstract and complex models in some QSPR studies, in this study, the 2D structural features related to the toxicity of ionic liquids were discussed at first, and then the corresponding intuitive and meaningful descriptors were suggested to construct quantitative chemoinformatics models, finally a multiple linear regression (MLR) based on the empirical‐like models were applied to the estimation of toxicities of 304 ionic liquids. For the test sets, the relationship coefficients reached up to R=0.90. An external test set of 11 ionic liquids collected from other literatures was submitted to the achieved MLR equations, and the satisfactory result (R=0.94) was obtained.
Using 19F NMR and two‐level factorial design to explore thiol‐fluoride substitution in hexafluorobenzene and its application in peptide stapling and cyclisation
Authors: Dognini Paolo , Killoran Patrick M. , Hanson George S. , Halsall Lewis , Chaudhry Talhat , Islam Zasharatul , Giuntini Francesca , Coxon Christopher R. 
Published: July 2020

AbstractHexafluorobenzene undergoes 1,4‐selective thiol‐fluoride disubstitution and is an attractive disulfide crosslinking reagent for peptide cyclisation and stapling. Little attention has been directed toward understanding the scope of this reaction. Traditional reaction optimisation relies on a one‐variable‐at‐a‐time approach, which can exclude important combined effects of reaction variables. This study initially explored base and solvent effects to inform a subsequent two‐level factorial design approach to understand how to control the reactivity and product selectivity in a model reaction of hexafluorobenzene. We describe new conditions that selectively afford higher order substitution products for example, 1,2,4,5‐tetrasubstitution, making hexafluorobenzene a possible suitable scaffold for future branched or multicyclic peptide systems. Moreover, our new conditions provide an improved rapid (<1 minute) and selective peptide disulfide stapling and cyclisation approach under peptide‐compatible conditions.
Mechanistic and kinetics study on the reaction of CF3CBrCH2 with OH: A theoretical study
Authors: Zhang Yunju , Sun Yuxi 
Published: July 2020

AbstractQuantum chemical method (CCSD(T)/cc‐pVTZ//M06‐2X/6‐311++G(d,p)) is employed to research the CF3CBrCH2 + OH reaction. The results indicate that the reaction takes place through the interaction of the oxygen atom of the OH radical with the middle C and terminal C atom of CF3CBrCH2 generating adduct IM1 (CF3CBrCH2OH) and IM2 (CF3CBrOHCH2), respectively, and then further dissociation or rearrangement to many products. The rate constants have been computed at 10−10 to 1010 Torr and 200–3000 K by RRKM theory for various product pathways. The results show that at 200–800 K, the rate constant for the production of IM1 (CF3CBrCH2OH) by collisional deactivation is dominant; at high temperatures, the production of P1 (CF3CBrCHOH + H) becomes predominate. The predicted data for CF3CBrCH2 + OH agree closely with available experimental value. The total rate constants are independent on pressure and dependent on temperature. The rate equation can be fitted as k(T) = 1.77 × 10 −7T−0.65exp(−4518.77/T) at 200–300 K, 30 Torr of Ar. The atmospheric lifetime of CF3CBrCH2 in OH is around 2.77 days. TD‐DFT computations imply that IM1, IM2, IM3, IM4, IM5, and IM6 will photolyze under the sunlight.
Structural investigation of 2‐naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site
Authors: Duong Vincent N. , Ippolito Joseph A. , Chan Albert H. , Lee Won‐Gil , Spasov Krasimir A. , Jorgensen William L. , Anderson Karen S. 
Published: July 2020

AbstractHuman immunodeficiency virus (HIV)‐1 remains as a global health issue that is primarily treated with highly active antiretroviral therapy, a combination of drugs that target the viral life cycle. One class of these drugs are non‐nucleoside reverse transcriptase inhibitors (NNRTIs) that target the viral reverse transcriptase (RT). First generation NNRTIs were troubled with poor pharmacological properties and drug resistance, incentivizing the development of improved compounds. One class of developed compounds are the 2‐naphthyl phenyl ethers, showing promising efficacy against the Y181C RT mutation. Further biochemical and structural work demonstrated differences in potency against the Y181C mutation and binding mode of the compounds. This work aims to understand the relationship between the binding mode and ability to overcome drug resistance using macromolecular x‐ray crystallography. Comparison of 2‐naphthyl phenyl ethers bound to Y181C RT reveal that compounds that interact with the invariant W229 are more capable of retaining efficacy against the resistance mutation. Additional modifications to these compounds at the 4‐position, computationally designed to compensate for the Y181C mutation, do not demonstrate improved potency. Ultimately, we highlight important considerations for the development of future HIV‐1 drugs that are able to combat drug resistance.
Magnetic response and its relation to the keto‐enol tautomerism of 3,3′‐(1,4‐phenylene)bis(pentane‐2,4‐dione): Experimental and theoretical insights
Authors: Lancheros Andres , Zarate Ximena , Schott Eduardo 
Published: July 2020

AbstractA direct correlation between aromaticity and the thermodynamic stability in the tautomeric equilibrium of 3,3′‐(1,4‐phenylene)bis(pentane‐2,4‐dione) is studied using experimental methods and theoretical approaches. According to the results, the most abundant tautomer corresponds to the bis‐β‐keto‐enol tautomer when conditions such as temperature, solvent polarity, and pH are deliberately changed. Theoretical results of aromaticity analysis showed good concordance with the experimental results, using rigorous computations such as induced magnetic field (Bind) and free of in‐plane component NICS (FIPC‐NICS).
Simple and Efficient “One‐Pot” Synthesis of Diphenylaryl (Heteroaryl) Methanols from Benzene
Authors: Akhrem Irena S. , Avetisyan Dzhul'etta V. , Afanas'eva Lyudmila V. , Artyushin Oleg I. 
Published: July 2020

AbstractDiphenylaryl (heteroaryl) methanols are valuable compounds, widely used in organic synthesis as tailor‐made protective groups, in medicinal chemistry, in crystal engineering, and in many other fields. A simple and efficient “one‐pot” method for the synthesis of diphenylaryl (heteroaryl) methanols from benzene was developed using the known reaction of benzene with CCl4•AlCl3. This approach appeared fruitful when the reaction was performed uring CCl4 as a solvent. This method allows the selective synthesis of Ph2CCl2 in good yield as well as triaryl (heteroaryl) methanols,
Al2O3‐Assisted Confinement Synthesis of Oxide/Carbon Hollow Composite Nanofibers and Application in Metal‐Ion Capacitors
Authors: Mao Zhifei , Wang Huanwen , Chao Dongliang , Wang Rui , He Beibei , Gong Yansheng , Fan Hong Jin 
Published: July 2020

AbstractHollow micro‐/nanostructures are widely explored for energy applications due to their unique structural advantages. The synthesis of hollow structures generally involves a “top‐down” casting process based on hard or soft templates. Herein, a new and generic confinement strategy is developed to fabricate composite hollow fibers. A thin and homogeneous atomic‐layer‐deposition (ALD) Al2O3 layer is employed to confine the pyrolysis of precursor fibers, which transform into metal (or metal oxide)–carbon composite hollow fibers after removal of Al2O3. Because of the uniform coating by ALD, the resultant composite hollow fibers exhibit a hollow interior from heads to ends even if they are millimeter long. V, Fe, Co, and Ni‐based hollow nanofibers, demonstrating the versatility of this synthesis method, are successfully synthesized. Because of the carbon constituent, these composite fibers are particularly useful for energy applications. Herein, the as‐obtained hollow V2O3–C fiber membrane is employed as a freestanding and flexible electrode for lithium‐ion capacitor. The device shows an impressive energy density and a high power density.