bluuebunny/crossref_metadata_2025_split huggingface dataset:
Peroxycarbenium Ions as the “Gatekeepers” in Reaction Design: Assistance from Inverse Alpha‐Effect in Three‐Component β‐Alkoxy‐β‐peroxylactones Synthesis
Authors: Vil' Vera A. , Barsegyan Yana A. , Barsukov Denis V. , Korlyukov Alexander A. , Alabugin Igor V. , Terent'ev Alexander O. 
Published: September 2019

AbstractStereoelectronic interactions control reactivity of peroxycarbenium cations, the key intermediates in (per)oxidation chemistry. Computational analysis suggests that alcohol involvement as a third component in the carbonyl/peroxide reactions remained invisible due to the absence of sufficiently deep kinetic traps needed to prevent the escape of mixed alcohol/peroxide products to the more stable bisperoxides. Synthesis of β‐alkoxy‐β‐peroxylactones, a new type of organic peroxides, was accomplished by interrupting a thermodynamically driven peroxidation cascade. The higher energy β‐alkoxy‐β‐peroxylactones do not transform into the more stable bisperoxides due to the stereoelectronically imposed instability of a cyclic peroxycarbenium intermediate as a consequence of amplified inverse alpha‐effect. The practical consequence of this fundamental finding is the first three‐component cyclization/condensation of β‐ketoesters, H2O2, and alcohols that provides β‐alkoxy‐β‐peroxylactones in 15–80 % yields.
Tunability of Porous CuCo2O4 Architectures as High‐Performance Electrode Materials for Supercapacitors
Authors: Sydulu Singu Bal , Kuchi Rambabu , Cao Van Phuoc , Kim Dongsoo , Ro Yoon Kuk , Ryul Jeong Jong 
Published: September 2019

AbstractCopper cobaltite (CuCo2O4) porous structures with different morphologies are prepared through a hydrothermal method and subsequent annealing process. The tunability of morphologies is succeeded by simply regulation of solvent medium and amount of the polyvinylpyrrolidone (PVP) which is served as structure directing agent. All the prepared samples have a mesoporous nature. Specifically, the CuCo2O4‐porous structures with flowers morphology have a higher surface area (43.2 m2 g−1) and porosity (0.18 cm3 g−1) than the other porous nano structures such as flakes, blades and wires. The maximum specific capacity of CuCo2O4‐Flowers is 466.4 C g−1 at a current density of 2 A g−1. The cycling stability of CuCo2O4‐Flowers shows capacity retention of 86.3 % at a high current density of 15 A g−1 after completion of 5000 charge‐discharge cycles. The electrochemical results demonstrate that the CuCo2O4‐Flower shows superior performance than the CuCo2O4‐Flakes, Blade and Wires.
Base‐Promoted Formation of an Annelated Pyrrolo‐1,4‐oxazine Ensemble from 1H‐pyrrol‐2‐ylmethanol and Propargyl Chloride: A Theoretical and Experimental Study
Authors: Vitkovskaya Nadezhda M. , Bobkov Alexander S. , Kuznetsova Svetlana V. , Shcherbakova Victoriya S. , Ivanov Andrey V. 
Published: September 2019

AbstractA one‐pot transition‐metal‐free synthesis of pyrrolo‐1,4‐oxazine ensemble in a KOH/DMSO superbasic medium has been developed based on the theoretical evaluation of kinetic (free activation energies) and thermodynamic (thermal effects) characteristics of the individual reaction steps. Possible interconversions of 1‐H‐pyrrol‐2‐ylmethanol and propargyl chloride have been addressed and the probable products of these interactions were predicted by using CBS‐Q//B3 and B2PLYP/6‐311++G**//B3LYP/6‐31+G* quantum‐chemistry approaches. Besides the target product, two other synthetically valuable compounds are synthesized with high selectivity.
Top‐Down Inhibition (TDi) and Baseline Activation (BLa): Controlling Signal Transduction When Endogenous Cytokines are Ruining Your Differentiation
Authors: Hackland James 
Published: September 2019

AbstractIn the 20 years since the first human pluripotent stem cell (hPSC) lines were established, there have been a plethora of protocols developed that allow us to generate a wide range of human cell types in vitro. Efforts to achieve a greater degree of specificity and efficiency in generating desired cell types have resulted in increasingly complex approaches. The magnitude and timing of signals has become key, and the concept of a “fully defined” system is a forever sought‐after goal with shifting goalposts. This overview discusses two related approaches that can be used to deliver a tightly regulated, intermediate‐strength signal, and which can also manage the impact of endogenous signaling variation and enable a switch away from bovine serum albumin–containing medium to a better‐defined system without suffering a subsequent loss of robustness or efficiency. The approaches, referred to as top‐down inhibition and baseline activation, were developed to deliver intermediate levels of BMP and WNT signaling during neural crest induction from hPSC, but could be applied to a variety of other signals and differentiation systems. © 2019 by John Wiley & Sons, Inc.
Integrating piezoresistive sensors on the embouchure analysis of the lower lip in single reed instrumentalists: implementation of the lip pressure appliance (LPA)
Authors: Pais Clemente Miguel , Mendes Joaquim , Cerqueira Joana , Moreira André , Vasconcelos Mário , Pinhão Ferreira Afonso , Amarante José Manuel 
Published: September 2019

AbstractBackgroundIt is essential to understand, characterize, and measure the embouchure mechanism of a wind instrumentalists, where the applied forces on the perioral tissues can usually promote discomfort or pain.MethodsThe sample consisted of five clarinet players and five saxophone players. The embouchure force measurements at the lower lip area were assessed using a piezoresistive sensor (FlexiForceTM, Tekscan, Boston, USA, 0.07 kgf/cm2) placed on the lower part of the mouthpiece of the single reed instrument. Furthermore, each participant performed three times three different notes at different pitches: high, medium, and low. An intraoral device was manufactured in order to dissipate the existing pressures.ResultsThe piezoresistive sensors applied to the mouthpiece of the five clarinetists presented values between 16 and 226 g of force. In the case of the five saxophonists, the values registered were between 5 and 320 g of force.ConclusionsPiezoresistive sensors are a valid option to characterize that single reed instrumentalists apply substantial forces at the lower lip that can be equivalent to medium orthodontic forces. The implementation of the Lip Pressure Appliance can be a valid solution on the prevention of eventual lesions resulting from the embouchure forces.
Corporate sustainability and stakeholder value trade‐offs in project selection through optimization modeling: Application of investment banking
Authors: Kudratova Shamsiya , Huang Xiaoxia , Kudratov Khikmatullo , Qudratov Shohrukh 
Published: September 2019

AbstractThis study presents a new optimization model for quantitative sustainability measurement in net present value estimation process of corporate investments. Proposed model presents an innovative perspective for the transformation of the logic behind traditional investment project selection practices to the sustainable project selection in corporations. By using the proposed model, it is possible that investors' can find positive sustainability trade‐offs without harming returns on investment. A case study is presented to illustrate the applicability of the proposed model in project selection decision‐making processes. Expected net present value is employed to calculate the return of the project investment for project selection decision‐stage. In order to identify stakeholder value trade‐off gaps, proposed model with sustainability involvement is evaluated in contrast to the traditional net value method estimations of the model. Based on optimization results, comparative analysis of proposed sustainability cost involvement in net present value estimation with traditional net present value estimation in project selection practices restore positive trade‐offs verifying the efficiency of proposed methodology.
CSR perception and financial performance: Evidences from Italian and UK asset management companies
Authors: Sciarelli Mauro , Tani Mario , Landi Giovanni , Turriziani Lorenzo 
Published: September 2019

AbstractThis work fits into a stream of research dealing with the role of the Internet and social networks as effective disclosure tools. We argue that the asset management company's (AMC) self‐presentation, its product disclosure, and how it communicates in the social media can be positively associated to its performance. In this paper we have studied these relationships on 21 Italian and UK AMCs in the EUROSIF Panel by adopting an experimental study asking business ethics course university students to evaluate the AMCs' ethical commitment. Our research shows that a high corporate social performance (CSP) disclosure through Web and social media is positively associated to AMCs' economic performance. Even a high perceived coherency between AMCs' self‐presentation and ethical financial product communication can enhance AMCs' financial success. In reverse, a high perceived coherency between financial products and corporate social responsibility communication through Web and social media networks does not seem to improve AMCs' economic performance.
Improving the Understanding of the Redox Properties of Fluoranil Derivatives for Cathodes in Sodium‐Ion Batteries
Authors: Jung Ku Hyun , Jeong Gyeong Seok , Joo Ji Bong , Kim Ki Chul 
Published: September 2019

AbstractDespite the potential of organic cathodes in sodium‐ion batteries, their redox properties still need to be explored. In this study, a density functional theory modeling approach is employed to comprehensively investigate the redox properties and theoretical performance parameters for a selected set of fluoranil derivatives as cathode materials. The redox properties are further correlated with various characteristics including structural variations, electronic properties, and solvation. Three primary conclusions are drawn. First, the incorporation of bulky trifluoromethyl functional group(s) into fluoranil increases its redox potential but significantly decreases its gravimetric charge capacity. This suggests that the trifluoromethyl functional group(s) would be detrimental to the design of high‐performance batteries. Second, fluoranil exhibits significant enhancements in terms of redox properties and theoretical performance compared with its hydrogenated form, benzoquinone, suggesting a desired strategy for designing high‐performance batteries. Third, the redox properties of fluoranil derivatives would strongly rely not only on structural variations (e.g., bulkiness) and electronic properties (e.g., functionality) but also on solvation energy. It is further verified that cathodic deactivation could be completed by solvation energy. The new understanding will provide us with guidelines for an efficient design of promising organic cathode materials.
Estimation of the Mitochondrial Membrane Potential Using Fluorescence Lifetime Imaging Microscopy
Authors: Okkelman Irina A. , Papkovsky Dmitri B. , Dmitriev Ruslan I. 
Published: September 2019

AbstractMonitoring of cell metabolism represents an important application area for fluorescence lifetime imaging microscopy (FLIM). In particular, assessment of mitochondrial membrane potential (MMP) in complex three‐dimensional multicellular in vitro, ex vivo, and in vivo models would enable improved segmentation and functional discrimination of cell types, directly report on the mitochondrial function and complement the quenched‐phosphorescence detection of cellular O2 and two‐photon excited FLIM of endogenous NAD(P)H. Here, we report the green and orange‐emitting fluorescent dyes SYTO and tetramethylrhodamine methyl ester (TMRM) as potential FLIM probes for MMP. In addition to nuclear, SYTO 16 and 24 dyes also display mitochondrial accumulation. FLIM with the culture of human colon cancer HCT116 cells allowed observation of the heterogeneity of mitochondrial polarization during the cell cycle progression. The dyes also demonstrated good performance with 3D cultures of Lgr5‐GFP mouse intestinal organoids, providing efficient and quick cell staining and compatibility with two‐photon excitation. Multiplexed imaging of Lgr5‐GFP, proliferating cells (Hoechst 33342‐aided FLIM), and TMRM‐FLIM allowed us to identify the population of metabolically active cells in stem cell niche. TMRM‐FLIM enabled to visualize the differences in membrane potential between Lgr5‐positive and other proliferating and differentiated cell types. Altogether, SYTO 24 and TMRM dyes represent promising markers for advanced FLIM‐based studies of cell bioenergetics with complex 3D and in vivo models. © 2019 International Society for Advancement of Cytometry
e‐LiteSense: Self‐adaptive energy‐aware data sensing in WSN environments
Authors: Silva João Marco , Carvalho Paulo , Bispo Kalil Araujo , Rito Lima Solange 
Published: September 2019

SummaryCurrently deployed in a wide variety of applicational scenarios, wireless sensor networks (WSNs) are typically a resource‐constrained infrastructure. Consequently, characteristics such as WSN adaptability, low‐overhead, and low‐energy consumption are particularly relevant in dynamic and autonomous sensing environments where the measuring requirements change and human intervention is not viable. To tackle this issue, this article proposes e‐LiteSense as an adaptive, energy‐aware sensing solution for WSNs, capable of auto‐regulate how data are sensed, adjusting it to each applicational scenario. The proposed adaptive scheme is able to maintain the sensing accuracy of the physical phenomena, while reducing the overall process overhead. In this way, the adaptive algorithm relies on low‐complexity rules to establish the sensing frequency weighting the recent drifts of the physical parameter and the levels of remaining energy in the sensor. Using datasets from WSN operational scenarios, we prove e‐LiteSense effectiveness in self‐regulating data sensing accurately through a low‐overhead process where the WSN energy levels are preserved. This constitutes a step‐forward for implementing self‐adaptive energy‐aware data sensing in dynamic WSN environments.
Optimal handover scheme for device‐to‐device communication in highly mobile LTE HetNets
Authors: C.G. Balaji , Varghese Nidhia , K. Murugan 
Published: September 2019

SummaryDevice‐to‐device (D2D) communication was primarily proposed as a new concept to improve the cellular network performance by allowing direct communications among user equipment (UE). Because of the mobile nature of the UE, the D2D link tends to fail more often. In order to guarantee seamless proximity service (ProSe) continuity for the mobile devices, a competent mobility management technique is necessary. In this work, an optimal D2D handover (HO) scheme in LTE heterogeneous network is proposed for guaranteeing seamless ProSe continuity for the UE in D2D communication. The proposed optimal D2D HO scheme tries to improve the duration of D2D communication by not only considering the signal quality between the D2D UE pairs but also the distance between them. The simulation results show that the proposed scheme improves the D2D mode duration, even in high mobility, thereby reducing frequent HO of the D2D UE, which is in D2D communication.
Vitexin ameliorates preeclampsia phenotypes by inhibiting TFPI‐2 and HIF‐1α/VEGF in a l‐NAME induced rat model
Authors: Zheng Lili , Huang Jing , Su Yuan , Wang Fang , Kong Hongfang , Xin Hong 
Published: September 2019

AbstractPreeclampsia (PE) is a leading cause of maternal and perinatal morbidity and mortality with few safe, effective, and minimally invasive therapeutics. Inflammation, oxidative stress, and angiogenic imbalance have been reported to contribute to PE pathogenesis. Vitexin (VI) possesses various pharmacological activities including the potent regulation of the above biological processes in different conditions. This study aims to investigate whether VI has therapeutic potential to PE and the underlying mechanisms. Sprague–Dawley pregnant rats pretreated with or without VI were fed with l‐NAME‐containing water to induce experimental PE. Results showed that VI decreased high systolic blood pressure and urinary protein in PE rats time‐ and dose‐dependently. Meanwhile, VI of higher dosage (45, 60 mg/kg) corrected abnormal pregnancy outcomes, including low pup weight and low pups/placenta ratio. In addition, VI of high dosage (60 mg/kg) decreased sFlt‐1, increased PlGF and alleviated oxidative stress both in blood and placental samples compared with nontreated PE group. Furthermore, VI alleviated placental TFPI‐2, HIF 1α, and VEGF in PE rats. In short, the present study suggests that the inhibition of placental TFPI‐2 and HIF‐1α/VEGF might be one of the potential mechanisms underlying the protective effects of VI to experimental PE induced by l‐NAME.
Pharmacokinetics and absolute oral bioavailability of stemazole by UPLC–MS/MS and its bio‐distribution through tritium labeling
Authors: Li Huajun , Tan Qi , Zhang Yubo , Zhang Jing , Zhao Chaoran , Lu Shuai , Qiao Jinping , Han Mei 
Published: September 2019

AbstractThe small molecule, stemazole, has significant therapeutic effects on neurodegenerative diseases, such as Alzheimer's disease (AD), due to its neuroprotective effects and remarkable survival‐promoting activity in stem cells. However, pharmacokinetic properties of stemazole were unclear. In this study, a rapid and effective ultra‐performance liquid chromatography–tandem mass spectrometry (UPLC−MS/MS) method was developed to detect stemazole. The detector was operated in the positive‐ion mode with an electrospray ionization (ESI) interface in multiple reaction monitoring (MRM) mode. Chromatographic separation was performed on an Acquity UPLC® BEH C18 column with gradient elution. Stemazole was extracted from plasma following a one‐step protein precipitation method. The method was fully validated for its selectivity, specificity, and sensitivity. The calibration curve range of 5–1125 ng/mL showed good linearity for stemazole. Intra‐day and inter‐day precision rates were less than 10%, and accuracy ranged from 95.87% to 105.23%. The pharmacokinetic profiles were illustrated through the newly developed method for the first time. The absolute oral bioavailability of stemazole is 32.10%. Therefore, it is feasible as an oral medication, which greatly facilitates its broad application. The biological distribution of tritium‐labeled stemazole in mice was studied, and the results showed that stemazole was absorbed rapidly and distributed widely, mainly in the liver and kidneys. A specific amount was also detected in the brain, which provides a prerequisite for the use of stemazole to treat neurodegenerative diseases. This work represents first description of the pharmacokinetics, bioavailability, and tissue distribution of stemazole and will lay the foundation for further investigation and drug development.
Selection on multiple sexual signals in two Central and Eastern European populations of the barn swallow
Authors: Pap Péter L. , Fülöp Attila , Adamkova Marie , Cepak Jaroslav , Michalkova Romana , Safran Rebecca J. , Stermin Alexandru N. , Tomasek Oldrich , Vágási Csongor I. , Vincze Orsolya , Wilkins Matthew R. , Albrecht Tomas 
Published: September 2019

AbstractVariation in intensity and targets of sexual selection on multiple traits has been suggested to play a major role in promoting phenotypic differentiation between populations, although the divergence in selection may depend on year, local conditions or age. In this study, we quantified sexual selection for two putative sexual signals across two Central and East European barn swallow (Hirundo rustica rustica) populations from Czech Republic and Romania over multiple years. We then related these differences in selection to variation in sexual characters among barn swallow populations. Our results show that tail length and ventral coloration vary between populations, sexes, and age classes (first‐time breeders vs. experienced birds). We found that selection on tail length was stronger in first‐time breeders than in experienced birds and in males than in females in the Romanian population, while these differences between age groups and sexes were weak in Czech birds. We suggest that the populational difference in selection on tail length might be related to the differences in breeding conditions. Our results show that ventral coloration is darker (i.e., has lower brightness) in the Romanian than in the Czech population, and in experienced birds and males compared with first‐time breeders and females, respectively. The sexual difference in ventral coloration may suggest sexual selection on this trait, which is supported by the significant directional selection of ventral coloration in first‐time breeding males on laying date. However, after controlling for the confounding effect of wing length and tarsus length, the partial directional selection gradient on this trait turned nonsignificant, suggesting that the advantage of dark ventral coloration in early breeding birds is determined by the correlated traits of body size. These findings show that ventral coloration may be advantageous over the breeding season, but the underlying mechanism of this relationship is not clarified.
How relatedness between mates influences reproductive success: An experimental analysis of self‐fertilization and biparental inbreeding in a marine bryozoan
Authors: Burgess Scott C. , Sander Lisa , Bueno Marília 
Published: September 2019

AbstractKin associations increase the potential for inbreeding. The potential for inbreeding does not, however, make inbreeding inevitable. Numerous factors influence whether inbreeding preference, avoidance, or tolerance evolves, and, in hermaphrodites where both self‐fertilization and biparental inbreeding are possible, it remains particularly difficult to predict how selection acts on the overall inbreeding strategy, and to distinguish the type of inbreeding when making inferences from genetic markers. Therefore, we undertook an empirical analysis on an understudied type of mating system (spermcast mating in the marine bryozoan, Bugula neritina) that provides numerous opportunities for inbreeding preference, avoidance, and tolerance. We created experimental crosses, containing three generations from two populations to estimate how parental reproductive success varies across parental relatedness, ranging from self, siblings, and nonsiblings from within the same population. We found that the production of viable selfed offspring was extremely rare (only one colony produced three selfed offspring) and biparental inbreeding more common. Paternity analysis using 16 microsatellite markers confirmed outcrossing. The production of juveniles was lower for sib mating compared with nonsib mating. We found little evidence for consistent inbreeding, in terms of nonrandom mating, in adult samples collected from three populations, using multiple population genetic inferences. Our results suggest several testable hypotheses that potentially explain the overall mating and dispersal strategy in this species, including early inbreeding depression, inbreeding avoidance through cryptic mate choice, and differential dispersal distances of sperm and larvae.