bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vorinostat enhances the anticancer effect of oxaliplatin on hepatocellular carcinoma cells
Authors: Liao Bo , Zhang Yingying , Sun Quan , Jiang Ping 
Published: December 2017

AbstractOxaliplatin‐based systemic chemotherapy has been proposed to have efficacy in hepatocellular carcinoma (HCC). We investigated the combination of vorinostat and oxaliplatin for possible synergism in HCC cells. SMMC7721, BEL7402, and HepG2 cells were treated with vorinostat and oxaliplatin. Cytotoxicity assay, tumorigenicity assay in vitro, cell cycle analysis, apoptosis analysis, western blot analysis, animal model study, immunohistochemistry, and quantitative PCR were performed. We found that vorinostat and oxaliplatin inhibited the proliferation of SMMC7721, BEL7402, and HepG2 cells. The combination index (CI) values were all <1, and the dose‐reduction index values were all greater than 1 in the three cell lines, indicating a synergistic effect of combination of the two agents. Coadministration of vorinostat and oxaliplatin induced G2/M phase arrest, triggered caspase‐dependent apoptosis, and decreased tumorigenicity both in vitro and in vivo. Vorinostat suppressed the expression of BRCA1 induced by oxaliplatin. In conclusion, cotreatment with vorinostat and oxaliplatin exhibited synergism in HCC cells. The combination inhibited cell proliferation and tumorigenicity both in vitro and in vivo through induction of cell cycle arrest and apoptosis. Our results predict that a combination of vorinostat and oxaliplatin may be useful in the treatment of advanced HCC.
Covalent Bonding and Charge Shift Bonds: Comment on “The Carbon–Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds”
Authors: Frenking Gernot 
Published: December 2017

AbstractThe paper by Gershoni‐Poranne and Chen (R. Gershoni‐Poranne, P. Chen, Chem. Eur. J. 2017, 23, 4659) gives an incorrect definition of covalent bonding. Furthermore, the assignment of so‐called charge shift bonds in ammonium compounds has no physical foundation and is conceptually redundant.
Sulfoxide‐Induced Homochiral Folding of ortho‐Phenylene Ethynylenes (o‐OPEs) by Silver(I) Templating: Structure and Chiroptical Properties
Authors: Resa Sandra , Miguel Delia , Guisán‐Ceinos Santiago , Mazzeo Giuseppe , Choquesillo‐Lazarte Duane , Abbate Sergio , Crovetto Luis , Cárdenas Diego J. , Carreño M. Carmen , Ribagorda María , Longhi Giovanna , Mota Antonio J. , Álvarez de Cienfuegos Luis , Cuerva Juan M. 
Published: December 2017

AbstractA new family of homochiral silver complexes based on carbophilic interactions with ortho‐phenylene ethynylene (o‐OPE) scaffolds containing up to two silver atoms are described. These compounds represent a unique class of complexes with chirality at the metal. Chiral induction is based on the inclusion of chiral sulfoxides, which allow efficient transfer of chirality to the helically folded o‐OPE, leading to circularly polarized luminescence (CPL)‐ and vibrational circular dichroism (VCD)‐active compounds. In the presence of silver(I) cations, carbophilic interactions dominate, which promote helical structures with a defined helicity. This is one of the very scarce examples of the use of such interactions in the attractive field of abiotic foldamers. The switching event has been extensively studied by using different chiroptical techniques, including circular dichroism, CPL, and VCD, and represents one of the few CPL switches described in the literature.
Oligothienylenevinylene Polarons and Bipolarons Confined between Electron‐Accepting Perchlorotriphenylmethyl Radicals
Authors: Mayorga Burrezo Paula , Franco Carlos , Caballero Rubén , Mas‐Torrent Marta , Langa Fernando , López Navarrete Juan T. , Rovira Concepció , Veciana Jaume , Casado Juan 
Published: December 2017

AbstractA detailed analysis is undertaken of positively charged species generated on a series of thienylenevinylene (nTV) wires terminally substituted with two perchlorotriphenylmethyl (.PTM) radical acceptor groups, .PTM‐nTV‐PTM. (n=2–7). Motivated by the counterintuitive key role played by holes in the nTV bridges on the operating mechanism of electron transfer in their radical anion mixed‐valence derivatives, a wide combination of experimental and theoretical techniques is used, with the aim of gaining further insights into their structural location. Consequently, contributions of the .PTM units for the stabilization of the radical cations and hole localization, particularly in the case of the shortest molecular wire, are probed. In this sense, the formation of quinoidal ring segments, resulting from the coupling of the unpaired electron of the .PTM radical site with those generated along the nTV chains is found. Additionally, open‐shell dications, described by the recovery of the central aromaticity and two terminal quinoidal segments, assisted by the .PTM units, are detected.
Pentacene Excitons in Strong Electric Fields
Authors: Kuhnke Klaus , Turkowski Volodymyr , Kabakchiev Alexander , Lutz Theresa , Rahman Talat S. , Kern Klaus 
Published: December 2017

AbstractElectroluminescence spectroscopy of organic semiconductors in the junction of a scanning tunneling microscope (STM) provides access to the polarizability of neutral excited states in a well‐characterized molecular geometry. We study the Stark shift of the self‐trapped lowest singlet exciton at 1.6 eV in a pentacene nanocrystal. Combination of density functional theory (DFT) and time‐dependent DFT (TDDFT) with experiment allows for assignment of the observation to a charge‐transfer (CT) exciton. Its charge separation is perpendicular to the applied field, as the measured polarizability is moderate and the electric field in the STM junction is strong enough to dissociate a CT exciton polarized parallel to the applied field. The calculated electric‐field‐induced anisotropy of the exciton potential energy surface will also be of relevance to photovoltaic applications.
Design‐oriented model for power‐driven design optimization of SC‐ΣΔ modulators
Authors: Boni Andrea , Giuffredi Luca , Pietrini Giorgio , Magnanini Alessandro , Tonelli Matteo 
Published: December 2017

SummaryA behavioral model for switched‐capacitors sigma‐delta modulators, suitable for power‐driven design, is presented. Because of the oversampling behavior of this kind of analog‐to‐digital converters, transistor‐level simulations are extremely time consuming. Thus, accurate behavioral models are mandatory in the preliminary design steps to cut the development time. However, when the power consumption of the modulator is pushed down to the absolute minimum level, second‐order effects affecting the settling behavior of the switched‐capacitor integrator must be taken into account. Furthermore, by means of an accurate noise model, based on a second‐order transfer function of the amplifier, a global power minimization is achieved, and the optimum partitioning between the switch and op‐amp noise is obtained. In spite of the improved accuracy, the proposed model requires only a few parameters of the amplifier in the integrator. This allows to easily link the model to an external set of circuit equations, to be derived for the specific amplifier used in the modulator. The model was used in the design of a third‐order modulator in an STM 90‐nm technology. The silicon samples exhibit an effective resolution of 15.2‐b with a 500‐Hz output rate, an oversampling ratio of 500, and a Schreier figure‐of‐merit of 162 dB, with a 38‐μW power consumption at 1.2‐V supply.
LINE‐1 retrotransposons in healthy and diseased human brain
Authors: Suarez Nicole A. , Macia Angela , Muotri Alysson R. 
Published: December 2017

ABSTRACTLong interspersed element‐1 (LINE‐1 or L1) is a transposable element with the ability to self‐mobilize throughout the human genome. The L1 elements found in the human brain is hypothesized to date back 56 million years ago and has survived evolution, currently accounting for 17% of the human genome. L1 retrotransposition has been theorized to contribute to somatic mosaicism. This review focuses on the presence of L1 in the healthy and diseased human brain, such as in autism spectrum disorders. Throughout this exploration, we will discuss the impact L1 has on neurological disorders that can occur throughout the human lifetime. With this, we hope to better understand the complex role of L1 in the human brain development and its implications to human cognition. © 2017 Wiley Periodicals, Inc. Develop Neurobiol 78: 434–455, 2018
Binary Mixtures of Tripalmitoylglycerol (PPP) and 1,3‐Dipalmitoyl‐2‐stearoyl‐sn‐glycerol (PSP): Polymorphism and Kinetic Phase Behavior
Authors: Bhaggan Krishnadath , Smith Kevin W. , Blecker Christophe , Danthine Sabine 
Published: December 2017

The kinetic phase behavior and phase transformation paths of tripalmitoylglycerol (PPP) and 1,3‐dipalmitoyl‐2‐stearoyl‐sn‐glycerol (PSP) mixtures are investigated at 10.0 °C min−1 (fast cooling) and 1.0 °C min−1 (slow cooling) cooling rates, and re‐heating at 5.0 and 1.0 °C min−1. Mixtures with 0.1 XPSP increments are studied in terms of polymorphism, crystallization, and melting. At the higher cooling rate, all samples crystallized in the α polymorph, while at the lower cooling rate, samples containing XPSP ≤ 0.3 crystallized in the α polymorph and samples containing XPSP > 0.3 crystallized in the β′ polymorph. During heating, all samples transformed to a more stable β′ form and melted finally in the β form (XPSP ≤ 0.3) or in the β′ form (XPSP > 0.3). Kinetic phase diagrams are determined from the DSC heating thermograms and XRD patterns obtained during cooling and heating and displayed an eutectic behavior with an eutectic point at XPSP = 0.3 irrespective of the rate at which the samples are cooled and re‐heated. The eutectic temperature is independent of the cooling and heating rates used. This study shows that PSP has a strong effect on the physical properties of PPP–PSP mixtures and dominates a large part of the phase behavior of the PPP–PSP binary system. At lower PSP concentration, the mixtures transform to the most stable β form, but at increasing PSP concentration the mixtures stabilize in the β′‐phase which is preferred in many food application because this results in a smooth texture.Practical Application: The results of this study are useful for the food industry as they can help in understanding the functionality of hard fat‐based structuring agents in end applications and in developing new triacylglycerol‐based crystallization and structuring agent for specific food applicationsPPP–PSP mixtures, either cooled or heated at lower or higher rate, all samples display different type of phase behavior: α‐ to β′‐phase development via recrystallization from the melt for mixtures having low PSP concentration, an α‐ to β′‐phase development via solid–solid transformation, a β′2‐ to β′1‐phase development via solid–solid transformation, and a β′‐ to β‐phase development via solid–solid transformation with an apparently typical eutectic behavior, with an eutectic concentration (XE) of about XPSP = 0.3. The eutectic temperature is not affected by the processing conditions applied. In the XPSP ≤ XE side of the phase diagram, the transition is different, being more β stable and is strongly affected by increasing PSP content (XPSP > XE side), which are more β′ stable.
Enzymatically Modified Shea Butter and Palm Kernel Oil as Potential Lipid Drug Delivery Matrices
Authors: Obitte Nicholas C. , Zorn Katja , Oroz‐Guinea Isabel , Bornscheuer Uwe T. , Klein Sandra 
Published: December 2017

Drug formulations based on lipids can enable a significantly better delivery of a pharmaceutically active substance and thus enhance their bioavailability. However, natural fats and oils usually have properties, which do not allow their direct use for drug delivery. Therefore, we have modified palm kernel oil (PKO) and shea butter (SB) via lipase‐catalyzed transesterification using either glycerol – to create a diglyceride‐enriched lipid – or using hexanoic acid via acidolysis – to alter their fatty acid composition – and hence to improve drug solubility of Celecoxib serving as model compound. The most suitable enzyme was immobilized Thermomyces lanuginosus lipase (Novozyme TL IM). The solubility of Celecoxib as determined in SB, pharmaceutical grade SB, glycerol‐modified SB, hexanoic acid‐modified SB, PKO, glycerol‐modified PKO, and hexanoic acid‐modified PKO. Incorporation of one or two equivalents of hexanoic acid enabled higher Celecoxib solubilization than the diglyceride rich oil. Although structured SB and PKO (15.8 ± 0.4 mg mL−1) do not differ significantly (p < 0.05) as per the amount of Celecoxib dissolved, the use of the modified oils enhanced Celecoxib solubility in SB (15.5 ± 1.3 mg mL−1) in comparison to shea butter (7.9 ± 0.5 mg mL−1). The lipase‐catalyzed modification also improved the miscibility of the oils with surfactants such as Tween 20 and resulted in reduced droplet sizes (<70 nm at oil/surfactant ratios of 1:2 and 1:1) and reduced polydispersity index values of the resulting emulsions.Practical Application: The structured triglycerides synthesized in this work on the basis of natural shea butter oils could function as suppository bases and oil phase in oral and parenteral lipid‐based formulations for improving the solubility and absorption of poorly soluble drugs. As various lipases with distinct selectivity are available for the enzymatic synthesis of structured triglycerides and useful for this purpose, further tailor‐designed formations should be accessible.With the aim of developing novel lipid drug delivery matrices palm kernel oil (PKO) and shea butter (SB) were modified via lipase‐catalyzed transesterification to alter their fatty acid composition and hence to improve drug solubility of the model compound Celecoxib. Incorporation of one or two equivalents of hexanoic acid enabled better Celecoxib solubilization than the diglyceride‐rich oil. Overall, the successful modification process yielded structured lipids with promising miscibility with selected surfactants and potential enhancement of Celecoxib solubility and thus represents a promising approach for the development of novel safe and effective lipid‐based delivery systems.
Efficient caching through stateful SDN in named data networking
Authors: Mahmood A. , Casetti C. , Chiasserini C. F. , Giaccone P. , Härri J. 
Published: December 2017

AbstractNamed data networking (NDN) is an innovative paradigm to provide content‐based services in future networks. As compared with legacy networks, naming of network packets and in‐network caching of content make NDN more feasible for content dissemination. However, the implementation of NDN requires drastic changes to the existing network infrastructure. One feasible approach is to use software‐defined networking (SDN), according to which the control of the network is delegated to a centralized controller, which configures the forwarding data plane. This approach leads to large signaling overhead and large end‐to‐end delays. In order to overcome these issues, we propose to enable NDN using a stateful data plane in the SDN network. In particular, we realize the functionality of an NDN node using a stateful SDN switch attached with a local cache for content storage and use OpenState to implement such an approach. In our solution, no involvement of the controller is required once the OpenState switch has been configured. We benchmark the performance of our solution against the traditional SDN approach considering several relevant metrics. Experimental results highlight the benefits of a stateful approach and of our implementation, which avoids signaling overhead and significantly reduces end‐to‐end delays.
Three depositional models interpreting the Late Ordovician deep‐water gravity flow systems in the Tarim Basin, Western China
Authors: Liu Jingyan , Lin Changsong , Yang Haijun , Schulte Lothar , Song Xiaoyong , Li Hao , Xia Shiqiang 
Published: December 2017

The Tarim Basin, located in Western China, is a large sedimentary basin with a long geological evolution history stretching from the Sinian (Ediacaran) to the Neogene period. An enormous deep‐water gravity flow system, up to 3,000–5,000 m in thickness, developed during the Late Ordovician in the central and northern parts of the basin, with the great potential for forming large lithologic‐stratigraphic oil/gas traps. However, the poorly‐understood reservoir condition has caused oil/gas exploration to fall to a standstill. Based on several seismic surveys, well profiles, and outcrop data, this study focuses on sequence‐depositional systems, paleo‐geomorphology, and paleo‐geography of the Late Ordovician reservoir rocks. The goal is to probe into the relationship between different types of deep‐water gravity flow systems and the paleo‐geomorphology, taking the tectonic development into account. Three different depositional models are applied to interpret the deep‐water gravity flow systems preserved in the Upper Ordovician succession. The latter are distributed in the Tabei, Tazhong, and Tadong areas underneath the great deserts, respectively. During the Late Ordovician, the Tazhong area seemed to be a debris‐flow‐dominated setting with shallow, sandy channelized systems controlled by multiple slopes. The Tabei area was a debris‐flow‐dominated setting with few U‐shaped deep incised ditches filled with muddy debris, and the Tadong area a typical submarine turbidite‐dominated fan system in that time. These depositional models also attempt to predict the favourable reservoir sand bodies and lithologic‐stratigraphic oil/gas traps with the Upper Ordovician successions in the subsurface of the Tarim Basin.
Middle Permian Wuhaolai mafic complex in the northern North China Craton: Constraints on the subduction‐related metasomatic mantle and tectonic implication
Authors: Liu Jianchao , Wang Chen , Liu Yang , Zhang Haidong , Ge Jiakun 
Published: December 2017

The Wuhaolai mafic complex is situated at the middle part of the northern margin of the North China Craton (NCC), Inner Mongolia. LA‐ICP‐MS zircon U–Pb ages, geochemical, and Sr–Nd isotopic data are presented to confirm the formation age of the complex, the nature of Paleozoic lithospheric mantle, and the tectonic evolution of the northern margin of the NCC. The mafic complex is composed of pyroxenite, gabbro, and diorite, which are derived from the same parental magma. The geochronological results show that this mafic complex was emplaced at 265.9 ± 3.3 Ma. All three different rock types are characterized by calc‐alkaline series with enrichment of large ion lithophile elements (LILEs) and light rare earth elements (LREEs), depletion of high field strength elements (HFSEs) and high rare earth elements (HREEs), and show negative Nb–Ta anomalies. Besides, they exhibit a low (87Sr/86Sr)i(0.7059–0.7065) and high εNd(t)(−13.35 to −8.19) values. These geochemical features also indicate that the parental magma of this complex was derived from an EM I‐like lithospheric mantle, which has undergone subduction‐related metasomatism. Combined with the previous studies on the Late Carboniferous to Late Permian intrusions from the northern margin of the NCC, the Wuhaolai mafic complex belongs to the Within‐Plate Basalt, representing a tectonic setting of continental extension environment, and the final closure time of the Paleo‐Asian Ocean (PAO) should be earlier than the Middle Permian.
Use and limitations of offsite consequence analysis tools from South Korea and the United States in hydrogen fluoride accidental release
Authors: Kim Min-Uk , Byeon Sang-Hoon 
Published: December 2017

Abstract

We investigated the characteristics and limitations in the event of hydrofluoric acid (HF) leakage by comparing and analyzing the offsite consequence analysis (OCA) tools based on the chemical plant operating conditions. We reviewed the tools Korea Offsite Risk Assessment (KORA) from South Korea and Risk Management Plan*Comp (RMP*Comp™) and Areal Location of Hazardous Atmospheres (ALOHA) from the United States. The scenario studied was based on a leak event from a 50% HF aqueous solution storage tank, and the operating conditions taken into consideration were the operating temperature and dike installation conditions. The results from the OCA differed; KORA presented a smaller range of offsite impact than did ALOHA. The offsite impact ranges of KORA and ALOHA increased as the operating temperature and dike installation area increased. However, RMP*Comp differed greatly in its offsite impact range results in the operating temperature range of 25 °C to 30 °C. Moreover, in the alternative scenario, a limitation existed in that the offsite impact range was not changed by the dike installation conditions. The offsite impact range analyzed via KORA and ALOHA reflected the reality of an HF leak accident better than that analyzed via RMP*Comp. Therefore, it is more reasonable to use KORA and ALOHA instead of RMP*Comp in OCA. Moreover, users should realize that ALOHA has a somewhat wider range of offsite impact than KORA does in OCA. The separation distance from the storage tank when installing a dike is effective between 1 and 1.5 m in consideration of securing the minimum workspace for workers. Integr Environ Assess Manag 2018;14:205–211. © 2017 SETAC

Key Points
Compare and analyze offsite consequence analysis (OCA) tools for environmental management to present characteristics and limitations. It is more reasonable to use Korea Offsite Risk Assessment (KORA) and Areal Location of Hazardous Atmospheres (ALOHA) instead of Risk Management Plan*Comp (RMP*Comp) model in OCA. Users should realize that ALOHA has a somewhat wider range of offsite impact than does KORA in OCA. The separation distance from the storage tank when installing a dike is effective between 1 m and 1.5 m in consideration of securing the minimum workspace for workers.
Male reproductive tract and spermatozoa ultrastructure in the grasshopper Orphulella punctata (De Geer, 1773) (Insecta, Orthoptera, Caelifera)
Authors: Silva Daniela Santos Martins , Cossolin Jamile Fernanda Silva , Pereira Marcelo Ribeiro , Lino‐Neto José , Sperber Carlos Frankl , Serrão José Eduardo 
Published: December 2017

AbstractIdentification Orphulellini grasshoppers (Acrididae: Gomphocerinae) species has been difficult due to high polymorphism rate. Orphulella Giglio‐Tos, 1894 is a genus with widespread geographical distribution and poor descriptions. Orphulella punctata (De Geer, 1773) has an extensive record of occurrence and available information about the phallic complex, however, there is poor data describing other parts of the male reproductive tract. The objective of this study was characterizes the internal organs of the male reproductive system and spermatozoa of O. punctata. Orphulella punctata testes are of Fountain type, each having only four follicles. Spermatozoa into the seminal vesicle are arranged in bundles with c.a. 2320 µm length, with a nucleus 110 µm long. The spermatozoa are covered by a glycocalyx, the nucleus is cylindrical with condensed chromatin and connected to the flagellum by a dense and lamellar centriole adjunct. The axoneme have 9 + 9 + 2 pattern and present two symmetrical mitochondrial derivatives. A fibrous net and two flat membranous cisternae fill the space between the axoneme and mitochondrial derivatives. This is the first description of the reproductive system of a Gomphocerinae representative.