bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cocrystal Engineering: A Collaborative Strategy toward Functional Materials
Authors: Sun Lingjie , Wang Yu , Yang Fangxu , Zhang Xiaotao , Hu Wenping 
Published: July 2019

AbstractCocrystal engineering with a noncovalent assembly feature by simple constituent units has inspired great interest and has emerged as an efficient and versatile route to construct functional materials, especially for the fabrication of novel and multifunctional materials, due to the collaborative strategy in the distinct constituent units. Meanwhile, the precise crystal architectures of organic cocrystals, with long‐range order as well as free defects, offer the opportunity to unveil the structure–property and charge‐transfer–property relationships, which are beneficial to provide some general rules in rational design and choice of functional materials. In this regard, an overview of organic cocrystals in terms of assembly, containing the intermolecular interactions and growth methods, two functionality‐related factors including packing structure and charge‐transfer nature, and those advanced and novel functionalities, is presented. An outlook of future research directions and challenges for organic cocrystal is also provided.
Spatially Confining Surface Roughness on Exponentially Growing Polyelectrolyte Multilayer Films
Authors: Chen Xia‐Chao , Huang Wei‐Pin , Ferreira Lino , Ren Ke‐Feng , Ji Jian 
Published: July 2019

AbstractIntroducing roughness features onto materials' surface can serve as an efficient strategy for novel or enhanced surface functionality. Surface roughness can be developed spontaneously on exponentially growing polyelectrolyte multilayer films without any postassembly treatment. This is essentially a pressure‐induced wrinkling behavior, which is associated with the diffusion of polyelectrolyte chains into the films during the assembling process. Here, this wrinkling behavior is suppressed by applying a pre‐cross‐linking process, which can produce steric hindrance within the films against the diffusion of oncoming polyelectrolytes. With the aid of photolithography, the wrinkling behavior can be “turned off” regioselectively and confined on the areas unexposed to UV irradiation, thus leading to a film with patterned surface wrinkles and paving the way for novel applications.
Enantioselective Addition of Enamides to Cyclic Ketimines: Access to Chiral 3,3‐Disubstituted Isoindolin‐1‐Ones
Authors: Feng Fang‐Fang , Li Jin‐Shan , Li Shen , Ma Jun‐An 
Published: July 2019

AbstractAn enantioselective addition of enamides to cyclic ketimines generated in situ from 3‐hydroxyisoindolin‐1‐ones was developed. This reaction takes advantage of readily available substrates, mild reaction conditions, as well as enlarged reaction generality, affording chiral 3,3‐disubstituted isoindolin‐1‐ones with a quaternary stereogenic center in high yields (up to 98%) and enantioselectivities (up to 99% ee).magnified image
PIDA‐Promoted Selective C5 C−H Selenylations of Indolines via Weak Interactions
Authors: Gu Linghui , Fang Xinyue , Weng Zhengyun , Lin Jiafu , He Meicui , Ma Wenbo 
Published: July 2019

AbstractAn efficient PIDA (phenyliodine(III) diacetate)‐promoted positional selective C−H selenylations of indolines with diaryl diselenides has been developed. This transformation conducted under mild reaction conditions with a broad functional group tolerance, thus providing an efficient protocol to selenylated indolines. Preliminary mechanistic studies indicated a SET pathway was likely involved in this selenylation reaction.magnified image
Regiodivergent Aromatic Electrophilic Substitution Using Nitrosoarenes in Hexafluoroisopropanol: A Gateway for Diarylamines andp‐Iminoquinones Synthesis
Authors: Pradhan Suman , Roy Sourav , Ghosh Soumen , Chatterjee Indranil 
Published: July 2019

AbstractA metal‐free aromatic electrophilic substitution reaction using nitrosoarenes as the electrophile in 1,1,1,3,3,3‐hexafluoroisopropanol (HFIP) is reported. HFIP activates nitrosoarene towards the electrophilic C−H amination followed by a concomitant N−O bond cleavage to deliver diarylamines without requiring any extra reagent or further treatment. The dual electrophilic nature of nitrosoarene permits a switchover of selectivity to C−H oxygenation furnishing dearomatizedp‐iminoquinones following a unique mechanistic rationale of two consecutive [2,3] sigmatropic rearrangement in nitroso‐chemistry.magnified image
Carbon Nano‐Onions Made Directly from CO2 by Molten Electrolysis for Greenhouse Gas Mitigation
Authors: Liu Xinye , Ren Jiawen , Licht Gad , Wang Xirui , Licht Stuart 
Published: July 2019

AbstractA high yield, low energy synthesis of carbon nano‐onions (CNOs) by electrolysis of CO2 in molten carbonate is presented. Carbon nano‐onions are a recently recognized, less studied morphology of carbon nanomaterials consisting of nested concentric carbon spheroids. Previously, a high yield growth of carbon nanotubes by CO2 electrolysis in molten carbonate was achieved through transition metal nucleation points on the electrolysis cathode. Here, effective low energy CNO synthesis from CO2 is achieved instead by excluding those nucleating agents from the molten carbonate growth medium resulting in a profusion of uniform CNOs, with an increasing diameter correlated to increasing growth time. CO2 transformation to valuable materials, such as CNOs, adds value to CO2 to incentivize consumption of this greenhouse pollutant. For example, CNOs are currently valued 20 000 times higher than coal.
Numerical Study on the Thermal and Optical Performances of an Aerogel Glazing System with the Multivariable Optimization Using an Advanced Machine Learning Algorithm
Authors: Zheng Siqian , Zhou Yuekuan 
Published: July 2019

AbstractThe implementation of advanced materials in high‐efficient glazing system is important for green buildings. In this study, aerogel granules are implemented in the glazing system to form a translucent window with super‐insulating performance. An experimentally validated numerical modeling integrating both heat transfer model and optical model is developed to characterize the sophisticated heat transfer and solar radiation transmission mechanisms. Sensitivity analysis is presented with quantifiable contribution ratio of each parameter to the total heat gain. Instead of returning back to numerical modeling repeatedly, an advanced optimization engine implemented with a generic optimization methodology with competitive computational efficiency and accuracy is proposed by implementing the supervised machine learning and advanced optimization algorithms. The research results show that the developed artificial neural network modeling is more accurate and computational‐efficient than the traditional lsqcurvefit fitting methodology. In addition, the optimal case through the teaching‐learning‐based optimization is more robust and competitive than the optimal case through the particle swarm optimization in terms of the total heat gain. This study presents an in‐depth understanding of heat transfer and solar radiation transmission of nanoporous aerogel granules together with a robust optimal design, which is important for the promotion of green buildings with high‐energy performance.
Bottom‐up control of geographic variation in insect herbivory on wild cotton (Gossypium hirsutum) by plant defenses and climate
Authors: Abdala‐Roberts Luis , Quijano‐Medina Teresa , Moreira Xoaquín , Vázquez‐González Carla , Parra‐Tabla Víctor , Berny Mier Y Terán Jorge C. , Grandi Luca , Glauser Gaétan , Turlings Ted C. J. , Benrey Betty 
Published: July 2019

PremiseThe occurrence and amount of herbivory are shaped by bottom‐up forces, primarily plant traits (e.g., defenses), and by abiotic factors. Addressing these concurrent effects in a spatial context has been useful in efforts to understand the mechanisms governing variation in plant–herbivore interactions. Still, few studies have evaluated the simultaneous influence of multiple sources of bottom‐up variation on spatial variation in herbivory.MethodsWe tested to what extent chemical (phenolics, production of terpenoid glands) and physical (pubescence) defensive plant traits and climatic factors are associated with variation in herbivory by leaf‐chewing insects across populations of wild cotton (Gossypium hirsutum).ResultsWe found substantial population variation in cotton leaf defenses and insect leaf herbivory. Leaf pubescence, but not gossypol gland density or phenolic content, was significantly negatively associated with herbivory by leaf‐chewing insects. In addition, there were direct effects of climate on defenses and herbivory, with leaf pubescence increasing toward drier conditions and leaf damage increasing toward wetter and cooler conditions. There was no evidence, however, of indirect effects (via plant defenses) of climate on herbivory.ConclusionsThese results suggest that spatial variation in insect herbivory on wild G. hirsutum is predominantly driven by concurrent and independent influences of population variation in leaf pubescence and climatic factors.
Mediating effects of exercise capacity on the association between physical activity and health‐related quality of life among adolescents with complex congenital heart disease
Authors: Kim Hyun Jeong , Jae Sae Young , Choo Jina , Yoon Ja Kyoung , Kim Seong‐Ho , Königstein Karsten , Schmidt‐Trucksäss Arno , Franklin Barry A. 
Published: July 2019

AbstractObjectivesThere is little evidence on interrelationships between physical activity, sedentary behaviors, and health‐related quality of life (HRQOL) among adolescents with congenital heart disease (CHD). We hypothesized that exercise capacity would have a mediating effect on the associations of either physical activity or sedentary behavior with HRQOL.MethodsAdolescents with complex CHD (n = 111) were consecutively recruited from an outpatient clinic in a general hospital in South Korea. Physical activity and sedentary behavior were assessed using the global physical activity questionnaire. Exercise capacity was directly measured by peak oxygen uptake using a symptom‐limited maximal treadmill exercise test. HRQOL was evaluated by both adolescents and their parents using the Pediatric Quality of Life Inventory questionnaire.ResultsThe self‐reported and parent proxy‐reported HRQOL were positively associated with physical activity (ß = 0.16, P = .003; ß = 0.12, P = .049) and exercise capacity (ß = 0.63, P < .001; ß = 0.66, P < .001), but not with sedentary behavior in adjusted regression models. When both variables were entered in the same regression models, only exercise capacity remained significantly associated with the self‐reported (ß = 0.50, P = .008) and parent proxy‐reported HRQOL (ß = 0.62, P = .003). Exercise capacity acted as a full mediator variable on the relationship between physical activity and HRQOL (P < .05 for both).ConclusionsThe present findings suggest that exercise capacity mediates the association between physical activity and HRQOL, highlighting the importance of improving exercise capacity to potentially enhance HRQOL in adolescents with complex CHD.
Catalytic Desymmetric Cycloaddition of Diaziridines with Metalloenolcarbenes: The Role of Donor–Acceptor Cyclopropenes
Authors: Zheng Haifeng , Doyle Michael P. 
Published: July 2019

AbstractA chiral copper(I) complex catalyzes reactions of symmetric diaziridines with enol diazo compounds, which react through N−N bond ring opening in a formal [3+3] cycloaddition to form four chiral centers with high stereocontrol. A broad spectrum of bridged dinitrogen heterocycles were obtained in high yields and excellent diastereo‐ and enantioselectivities from γ‐substituted enol diazoacetates, while their geometrical isomers gave different enantioselectivities. Donor–acceptor cyclopropenes formed from the geometrical isomers of the γ‐substituted enol diazoacetates underwent catalytic ring opening to give only the Z isomer of the metalloenolcarbene intermediate, provided excellent yields and selectivities for the 1,5‐diazabicyclo[n.3.1]non‐2‐ene derivatives.
Chromium‐metformin ternary complexes: Thermal, DNA interaction and Docking studies
Authors: Shekhar B. , Vasantha P. , Sathish Kumar B. , Anantha Lakshmi P.V. , Ravi Kumar V. , Satyanarayana S. 
Published: July 2019

Three chromium ternary complexes with metformin (met) as a primary ligand and bipyridine (bipy) or ortho‐phenylenediamine (opda) or ortho‐phenanthroline (phen) as secondary ligand were synthesized. These complexes [Cr (Cl)2(Hmet)(bipy)]‐(1), [Cr (Cl)2(Hmet)(opda)]‐(2) and [Cr (Cl)2(Hmet)(phen)]‐(3) were characterized by LC–MS, elemental analysis, molar conductance, thermal analysis, infrared spectroscopy, electronic spectroscopy. The geometrical structures have been found to be octahedral. Degradation pattern of the compounds is shown by thermal studies. The Kinetic parameters‐ energy of activation (Ea), enthalpy (ΔH), entropy (ΔS) and free energy changes (ΔG) have been determined by thermogravimetric data. Coats‐Redfern integration method with thirteen kinetic models was used to calculate the kinetic and thermodynamic parameters for the degradation of all the complexes. The stabilities of the complexes were obtained from their molecular orbital structures from which the quantum chemical parameters were calculated using the HOMO‐LUMO energies. UV–Visible absorption, fluorescence, and viscosity measurements have been conducted to assess the interaction of the complexes with CT DNA. The complexes showed absorption hyperchromism in its UV–Vis spectrum with DNA. The binding constants Kb from UV–Vis absorption studies were 3.1x104, 4.4x104, 5x104 M−1 for 1, 2, 3 respectively and Stern–Volmer quenching constants (Ksq) from fluorescence studies were 0.137, 0.532, 0.631 for 1, 2, 3 respectively. Finally, viscosity measurements revealed that the binding of the complexes with CT‐DNA could be surface binding, mainly due to groove binding. The activity of complexes towards DNA cleavage decrease in the order of 3 > 2 > 1.The light switching properties of the complexes were also evaluated. The complexes were docked in to B‐DNA sequence, 5′(D*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)‐3′ retrieved from protein data bank (PDB ID: 423D), using Discovery Studio 2.1 software.
Synthesis and Anti‐Listeria Properties of Odorless Hybrid Bio‐Based n‐Phenolic Vegetable Branched‐Chain Fatty Acids
Authors: Ngo Helen , Wagner Karen , Yan Zongcheng , Moreau Robert A. , Fan Xuetong 
Published: July 2019

AbstractConsumers are becoming concerned about the impact of synthetic chemicals on human health and environments, and demanding natural compounds to reduce risk of antibiotic resistance of microorganisms. However, natural compounds are often less effective than synthetic antimicrobials. This challenge may be addressed with the development of bio‐based antimicrobial agents. In this study, bio‐based n‐phenolic branched‐chain fatty acids (n‐phenolic‐branched chain fatty acid [BCFA]) were synthesized from vegetable oil (soybean and safflower) fatty acids and four natural phenolics (phenol, thymol, carvacrol, and creosote), and tested against Listeria innocua. Results revealed that the newly synthesized products in crude form had minimum inhibitory concentrations (MIC) against L. innocua ranging from 3.6 to 116.4 μg mL−1, with phenol‐BCFA products having the lowest MIC (3.6 μg mL−1) and minimum bactericidal concentration (MBC) (7.3 μg mL−1). The precursors (unsaturated free fatty acids and phenolics) and noncovalently bound mixture of free fatty acids and phenolics had MIC above 232.7 μg mL−1. After purification by molecular fractionation, n‐phenolic‐BCFA in the free fatty acid/monomer form were shown to be responsible for the anti‐Listeria activity with MIC of 3.6–7.3 μg mL−1 and MBC of 7.3–29.1 μg mL−1. These promising results pave the road for further study of this new class of bio‐based compounds, which may lead to their widespread use.
Stabilization of uncertain fractional order system with time‐varying delay using BMI approach
Authors: He Bin‐Bin , Zhou Hua‐Cheng , Kou Chun‐Hai , Chen YangQuan 
Published: July 2019

AbstractThis paper considers the systematic design of robust stabilizing state feedback controllers for fractional order nonlinear systems with time‐varying delay being possibly unbounded. By using the fractional Halanay inequality and the Caputo fractional derivative of a quadratic function, stabilizability conditions expressed in terms of bilinear matrix inequalities are derived. The controllers can then be obtained by computing the gain matrices. In order to derive the gain matrices, two algorithms are proposed by using the existing computationally linear matrix inequality techniques. Two numerical examples with simulation results are provided to demonstrate the effectiveness of the obtained results.
Down syndrome among primiparae at older maternal age: A test of the relaxed filter hypothesis
Authors: Bruckner Tim A. , Singh Parvati , Lelong Nathalie , Khoshnood Babak 
Published: July 2019

AbstractBackgroundDown syndrome (DS) ranks as one of the most common birth defects in the United States. The relaxed filter hypothesis (RFH) asserts that mothers with no previous children but nearing reproductive senescence reduce fetal selectivity against DS pregnancies in the first trimester given the high probability of having no offspring at all if the DS pregnancy is not carried to term. We test the parity prediction of RFH—specifically, that pregnancies to older mothers with no previous live births show an elevated prevalence of DS above values expected from the separate contributions of older maternal age and primiparity.MethodsWe retrieved maternal age and parity information on 2,748 DS cases (live, stillborn, or terminated due to anomaly) from the Paris Birth Defects Registry, 1983–2015. We used two waves of the Enquête Fertility Survey (n = 5,460) and counts of stillbirths to calculate total prevalence of DS by maternal age and parity.ResultsPrimiparous mothers 35+ years show the greatest prevalence of any parity group (9.78 cases per 1,000 deliveries). Tests for additive interaction of primiparity and older maternal age reject the null (relative excess risk due to interaction = 1.01; 95% confidence interval: 0.33, 1.69; null value on additive scale is 0).ConclusionsRelaxed selection may account for 10% of the increase in the prevalence, among older primiparous mothers, of DS detected during or after the 11th week. Future work may hold implications for understanding, among older mothers, the strength of this maternal screen against other defects.
Pharmacokinetic analysis of plasma bicyclol by liquid chromatography–tandem mass spectrometry
Authors: Liu Mingyi , Huang Shibo , Wen Jinhua , Xia Chunhua , Zhang Hong , Xiong Yuqing 
Published: July 2019

AbstractBicyclol is a synthetic drug widely used to treat chronic hepatitis B. This study aimed to develop a selective, sensitive and high‐throughput liquid chromatography–tandem mass spectrometric method for the detection of bicyclol in human plasma. Bicyclol was detected using a multiple reaction monitoring mode, with ammonium adduct ions (m/z 408.2) as the precursor ion and the [M‐CH3]+ ion (m/z 373.1) subjected to demethylation as the product ion. Chromatographic separation was achieved using a Zobax Eclipse XDB‐C18 column with a gradient elution and a mobile phase of 2 mm ammonium formate and acetonitrile. Bicyclol was extracted from plasma matrix by precipitation. A linear detection response was obtained for bicyclol ranging from 0.500 to 240 ng/mL, and the lower limit of quantification was 0.500 ng/mL. The intra‐ and inter‐day precisions were all ≤7.4%, and the accuracies were within ±6.0%. The extraction recovery was >95.9%, and the matrix effects were between 96.0% and 108%. Bicyclol was found to be unstable in human plasma at room temperature, but the degradation was minimized by conducting sample collection and preparation in an ice bath. The validated method was successfully applied to investigate the pharmacokinetics of bicyclol tablets in six healthy Chinese volunteers.
Stability‐indicating analytical method of quantifying spironolactone and canrenone in dermatological formulations and iontophoretic skin permeation experiments
Authors: Ferreira‐Nunes Ricardo , Ferreira Larissa A. , Gratieri Tais , Cunha‐Filho Marcilio , Gelfuso Guilherme M. 
Published: July 2019

AbstractA simple, stability‐indicating, chromatographic method of quantifying spironolactone (SPI) and its metabolite, canrenone (CAN), in the presence of excipients typical in dermatological formulations and skin matrices in studies of passive and iontophoretic permeation was proposed and validated here. SPI and CAN were separated using a reversed‐phase column with a mobile phase of methanol–water (60:40, v/v) at a flow rate of 1.0 mL/min. Data were collected with a UV detector at 238 and 280 nm, with retention times of 6.2 and 7.9 min for SPI and CAN, respectively. The method was precise, accurate and linear (r2 > 0.99) in a concentration range of 1–30 μg/mL, and recovery rates of SPI and CAN from the different skin layers exceeded 85%. The method was not only sensitive (LOD of 0.05 and 0.375 μg/mL and LOQ of 0.157 and 1.139 μg/mL for SPI and CAN, respectively) but also selective against skin matrices and highly representative components of topical formulations. The method moreover demonstrated SPI's degradation in iontophoresis by applying Pt–AgCl electrodes and its continued drug stability using Ag–AgCl electrodes. Altogether, the method proved valuable for quantifying SPI and CAN and may be applied in developing and controlling the quality of dermatological products.
Korean children's understanding of social media advergames: An exploratory study of ad recognition and skeptical attitudes toward advertising
Authors: An Soontae , Kang Hannah 
Published: July 2019

AbstractThis study explored Korean children's understanding of social media advergames. In particular, we investigated the effects of ad recognition and skeptical attitudes toward advertising on children's susceptibility to commercial influences. The results of a survey of 556 children, ranging in age from 7 to 11, showed that half of the children could correctly identify the social media advergame as a type of advertising, whereas the other half could not. Comparisons revealed that older students were better at recognizing commercial influences. In terms of children's intention to visit sites featured in advergames, students who were in a lower grade, female, or had high Internet usage were more likely to want to visit the store advertised. After controlling for demographics and media usage, children's ad recognition and skeptical attitudes, as well as the interaction term, were all statistically significant. The results underscore the importance of combining both cognitive and attitudinal advertising literacy.
A Fluorescence‐Based Assay for Screening β‐Lactams Targeting the Mycobacterium tuberculosis Transpeptidase LdtMt2
Authors: de Munnik Mariska , Lohans Christopher T. , Langley Gareth W. , Bon Corentin , Brem Jürgen , Schofield Christopher J. 
Published: July 2019

AbstractMycobacterium tuberculosis l,d‐transpeptidases (Ldts), which are involved in cell‐wall biosynthesis, have emerged as promising targets for the treatment of tuberculosis. However, an efficient method for testing inhibition of these enzymes is not currently available. We present a fluorescence‐based assay for LdtMt2, which is suitable for high‐throughput screening. Two fluorogenic probes were identified that release a fluorophore upon reaction with LdtMt2, thus making it possible to assess the availability of the catalytic site in the presence of inhibitors. The assay was applied to a panel of β‐lactam antibiotics and related inhibitors; the results validate observations that the (carba)penem subclass of β‐lactams are more potent Ldt inhibitors than other β‐lactam classes, though unexpected variations in potency were observed. The method will enable systematic structure–activity relationship studies on Ldts, thereby facilitating the identification of new antibiotics active against M. tuberculosis.