bluuebunny/crossref_metadata_2025 huggingface dataset:
Physicochemical Characterization of Lecithin/Isopropyl Myristate Reverse Micelles
Authors: Fu Yan , Liu Yan , Fang Yu , Qi Xiaodan , Cao Deying
Published: August 2017

Reverse micelles have good thermodynamic stability, small particle size, good self‐assembly performance, and controlled drug release versus other microparticle transdermal drug delivery systems. Here, a reverse micelles solution and a gel system formed by self‐assembly of insulin aqueous solution/lecithin/isopropyl myristate (IPM) were used for transdermal delivery of insulin. The size, size distribution, morphology and rheology of the reverse micelles were characterized with dynamic light scattering (DLS), small angle x‐ray scattering (SAXS), differential scanning calorimetry (DSC), viscosity measurement, and freeze fracture transmission electron microscopy (FF‐TEM). The findings suggested that lecithin/isopropyl myristate self‐assembled reverse micelles were spherical with uniform particle sizes (< 100 nm). The water in the reverse micelle was in the form of bound water, and the diameter of the water pool was about 4 nm. The reverse micelle solution and gel appeared as a pseudo‐plastic fluid. The gel was thixotropic, which benefits transdermal delivery.
Gas Solubility and Rheological Behavior of Natural Deep Eutectic Solvents (NADES) via Combined Experimental and Molecular Simulation Techniques
Authors: Altamash Tausif , Nasser Mustafa S. , Elhamarnah Yousef , Magzoub Musaab , Ullah Ruh , Anaya Baraa , Aparicio Santiago , Atilhan Mert
Published: August 2017

A potential of natural deep eutectic solvent (NADES) produced with the mixture of choline chloride with lactic acid, malic acid, citric acid and fructose is studied in this work. Experimental techniques are used to collect thermophysical property data including water content, thermal strength, density and gas solubility of CO2 and N2 data at pressures up to 50 bars. Detailed rheological measurements and various models have been studied to describe the dynamic flow behavior. Moreover, a density functional theory (DFT) and classical molecular dynamics (MD) methods have been used for investigating the physicochemical properties, structuring, dynamics and interfacial behavior of the studied NADES from the nanoscopic point of view to infer its viability for extensive usage. The rheological experimental results show usual shear‐thinning effect in which the η is decreasing with shear rate at all temperatures. A trend of studied NADES viscosity profiles were found as very similar to that of common ionic liquids that were previously, where the viscosities of all studied NADES decreased with increasing temperature. DFT simulations yielded with an accurate quantification of short‐range interaction but liquid state is also characterized by middle and long‐range interaction together with volumetric effects. Molecular orientations were quantified by radial distribution functions and the developed interactions are topologically characterized.
Water‐Stable Luminescent Zn(II) Metal‐Organic Framework as Rare Multifunctional Sensor for Cr(VI) and TNP
Authors: Zhang Jinfang , Wu Junjie , Gong Linpei , Feng Jiaoyang , Zhang Chi
Published: August 2017

One new Zn(II) MOFs based on 3‐abit and 2,5‐tdc, namely {[Zn(2, 5‐tdc)(3‐abit)]⋅H2O}n (1) (2,5‐tdc=2,5‐thiophenedicarboxylic acid, 3‐abit=4‐amino‐3,5‐bis(imidazol‐1‐ylmethyl)‐1,2,4‐triazole) has been synthesized and structurally characterized by single crystal and powder X‐ray diffractions, elemental analysis, FT‐IR spectroscopy and TGA. X‐ray structural analysis reveals that 1 displays a two‐dimensional (2‐D) two‐fold interpenetrated framework, constructed by 3‐abit and 2,5‐tdc single bridges. The strong luminescence and good water‐stable nature of this Zn‐MOF indicate that it can potentially be used as a luminescent sensor. In this work, 1 can display highly selective and sensitive sensing of Cr(VI) and TNP through luminescence quenching effect. Moreover, the mechanisms of 1 as a multifunctional sensor have been preliminarily studied.
Accessing the HMF Derivatives from Furfural Acetate through Oxidative Carbonylation
Authors: Zhang Sicheng , Shen Guanfei , Chen Zhuqi , Yin Guochuan
Published: August 2017

Exploring new bulky chemicals from furfural is greatly attractive since its raw biomass resources are not competitive with the food of human beings. Regarding the large market of the sub‐products of hydroxylmethyl furfural (HMF) with the current technical challenges in HMF production from cellulose, transforming furfural and its sub‐products to HMF derivatives may offer an alternative source of HMF sub‐products and a solution to narrow market of furfural. Here, we report a novel route to synthesize the sub‐chemicals of HMF from furfuryl acetate, a furfural based platform molecule, which realizes the transformation of renewable furfural to C6 chemicals through direct C−H oxidative carbonylation by Pd(OAc)2 catalyst.
Nitrogen and Sulfur Doped Mesoporous Carbons, Prepared from Templating Silica, as Interesting Material for Supercapacitors
Authors: Brandiele Riccardo , Picelli Luca , Pilot Roberto , Causin Valerio , Martucci Alessandro , Rizzi Gian A. , Isse Abdirisak A. , Durante Christian , Gennaro Armando
Published: August 2017

Highly accessible surface area and heteroatom‐doping are desired properties for carbon electrode materials to be used in electrochemical supercapacitors. In this paper, nitrogen and sulfur doped carbon materials with wide mesopores (13‐14 nm) were synthetized according to a hard template approach by pyrolysis of sucrose, 1,10‐phenanthroline or dibenzothiophene as carbon, nitrogen‐carbon or sulfur‐carbon precursors, respectively. The morphology and dimension of mesopores were induced by sacrificial SiO2 nanoparticles (10‐20 nm), which are removed at the end of synthesis by an etching solution to reveal a network of hemispherical pores. The interconnected pore structure was confirmed by scanning electron microscopy and transmission electron microscopy. X‐ray photoemission spectroscopy and elemental analysis confirmed the presence of nitrogen and sulfur functional groups. The prepared materials were fully characterized by cyclic voltammetry, chronopotentiometry and electrochemical impedance spectroscopy in 0.5 M H2SO4. Notwithstanding the small surface (200 m2g‐1) determined by BET method, the nitrogen doped mesoporous carbon showed high specific gravimetric (∼170 F g‐1) and surface (∼835 F m‐2) capacitances that are comparable to those of materials with much higher surface area (5‐10‐fold higher).
Environmental‐Friendly Assembly of Functional Graphene Hydrogels with Excellent Antibacterial Properties
Authors: Gao Bingying , Mei Jing , Ma Yusha , Yuan Guojun , Ren Lili
Published: August 2017

Bacterial contamination, harmful to human beings health and well‐being, has been a serious issue in china, even in the modern world. Graphene‐based materials have been found to have good antimicrobial properties. However, the research on three‐dimensional graphene related material with excellent antimicrobial activity is quite limited, which hinders its usage in protection of environment and sustainable development, such as in water treatment. In this work, we successfully design a facile, green and efficient strategy to fabricate three‐dimensional graphene hydrogel monoliths with excellent antibacterial properties by zinc ions coordination. The presence of zinc ions can maintain the structural integrity and the resulting sample exhibits excellent antimicrobial activities toward E. coli (99.5 ±3.6 %) and S. aureus (96.4 ±4.6 %) with increased glutathione oxidation capacity. The mechanism is also intensively investigated. The whole preparation process is carried out without using any toxic reducing agent, which may offer an alternative strategy for the fabrication of graphene related materials with excellent antibacterial properties.
Catalytic Asymmetric Mannich Reaction of Isatin‐derived N‐Boc Imines with Malononitrile by Bis(imidazolidine)‐derived Pincer Rh Complex
Authors: Arai Takayoshi , Tosaka Takuya , Kuwano Satoru
Published: August 2017

A chiral bis(imidazolidine) NCN‐rhodium complex (tBu‐PhBidine‐Rh(OAc)2: cat 2) catalyzed the asymmetric Mannich reaction of malononitrile with isatin‐derived imines, which provided an efficient synthetic route for 3‐amino‐2‐oxoindoline‐3‐carboxylates.
Effect of Enhanced RuO2 Layer on the Sustainability of Ru/MMT Catalyst towards [3+2] Cycloaddition Reaction
Authors: Pawar Hari R. , Jakhade Alok P. , Chikate Rajeev C.
Published: August 2017

Ru NP's supported on MMT acts as robust catalyst for the synthesis of 5‐substituted 1H‐tetrazoles via [3+2] cycloaddition reaction under mild conditions. Structural analysis of composite suggests it to be consisting of mixed phases of well dispersed Ru NP's core coated with RuO2 layer having particle size of 3–5 nm with strong acidic character. The versatility of the catalyst is evaluated for different nitriles and sodium azide in DMF solvent at 110 °C that afford excellent yields with significant TON, TOF values and the catalytic activity is retained during five successive cycles. XRD, TEM and XPS analyses of used catalysts reveals the enhanced RuO2 layer on the Ru site forming a p‐n junction on the surface of the catalyst which facilitates the activation of nitrile; a key step in tetrazole synthesis. Plausible mechanism involves simultaneous activation of nitriles and adsorption of azide on the catalyst surface followed by cyclization through click process. Thus, it may be argued that Ru0 core and RuO2 shell along with MMT support significantly contributes for sustained catalytic activity of Ru/MMT composite in a synergistic manner.
Chiral Rhodium(I) Complexes of 1,2‐Bis‐(chloroalkoxyphosphanyl)‐ and 1,2‐Bis‐(amidoalkoxyphosphanyl)‐1,2‐dicarba‐closo‐dodecaboranes(12)
Authors: Bauer Sebastian , Maulana Ilham , Coburger Peter , Tschirschwitz Steffen , Lönnecke Peter , Sárosi Menyhárt B. , Frank René , Hey‐Hawkins Evamarie
Published: August 2017

1,2‐Bis(chloroalkoxyphosphanyl)‐1,2‐dicarba‐closo‐dodecaboranes(12) and 1,2‐bis(amido‐(‐)‐menthyloxyphosphanyl)‐1,2‐dicarba‐closo‐dodecaboranes(12) were synthesised by the reaction of dilithiated 1,2‐dicarba‐closo‐dodecaborane(12) with the corresponding dichloro‐ or chloroamidophosphite. For 1,2‐bis‐(chloro‐1‐adamantyloxyphosphanyl)‐1,2‐dicarba‐closo‐dodecaborane(12) epimerisation in solution was observed and the free activation enthalpy was determined experimentally and theoretically. An indirect determination of the meso configuration was obtained by formation of the corresponding molybdenum tetracarbonyl complex. Chlorido‐bridged dimeric chiral rhodium(I) complexes showing planar or folded Rh2Cl2 rings were prepared. Density functional calculations indicate that steric and packing factors play a much more significant role than electronic effects in influencing the bending of the rhodium complexes.
Organocatalytic Cellulose Dissolution and In Situ Grafting of ϵ‐Caprolactone via ROP in a Reversible DBU/DMSO/CO2System
Authors: Xu Qinqin , Song Longchu , Zhang Lihua , Hu Gang , Du Jiehao , Liu Enhui , Zheng Qiang , Liu Yu , Li Nanwen , Xie Haibo
Published: August 2017

The facile dissolution of cellulose via its reversible reaction with CO2in the presence of 1, 8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) in DMSO provides a new efficient platform for derivatization of cellulose, on which serials of grafted poly‐(ϵ‐caprolactone) copolymers were successfully prepared through ring‐opening polymerization (ROP) under mild conditions without adding external catalysts. The strategy allows the preparation cellulose‐graft‐poly‐(ϵ‐caprolactone) copolymers with a molar substitution (MSPCL) of poly‐(ϵ‐caprolactone) ranging 2.29 to 8.01 under mild conditions. The results indicated that DBU acted as not only an important reagent to achieve cellulose dissolution, but it also acted as an organocatalyst for the subsequent ROP process. The grafting content of the prepared copolymers were characterized by1H NMR. Their physiochemical structures were determined by NMR, FTIR, GPC and WXRD, and thermal properties were studied by TGA and DSC.
Synthesis and Determination of the pKa Values of a Series of Bis(anilino)furazano[3, 4‐b]pyrazines
Authors: Konstandaras Nicholas , Matto Lucas , Bhadbhade Mohan , Hunter Luke , Harper Jason B.
Published: August 2017

Mitochondrial uncouplers such as bis(anilino)furazano[3, 4‐b]pyrazines are potentially useful as metabolic probes and as pharmaceutical treatments for obesity. The ongoing development of such molecules would be facilitated by an ability to predict and control the pKa value of the dissociable proton(s). In this work, new analogues based on the aforementioned scaffold were prepared utilising a novel method for incorporating the aniline substituents. The pKa values of these species were measured using a bracketing indicator method. The pKa values correlated well with, and showed a strong dependence on, the electronic nature of the substituent (including for those at the ortho position). The second deprotonation of these species was also evaluated, with a similar trend noted.
A Comparative Study on “Turn‐off” Fluorimetric Nitro Aromatic Detection Using a Class of Dinulear Zinc (II) Schiff Base Complexes
Authors: Dasgupta Sanchari , Zangrando Ennio , Majumder Ishani
Published: August 2017

Four “end‐off” compartmental ligands 2,6‐bis((E)‐((2‐(dimethylamino)ethyl)imino)methyl)‐4‐R‐phenol, where R= methyl/ isopropyl/ tertiary butyl/ chloro for HL1 – HL4 respectively, have been designed and four complexes of zinc(II) have been synthesized and structurally characterized with the aim to apply them as nitro aromatic detector by utilizing their fluorescent behavior. All the four complexes are found to be highly fluorescent in acetonitrile medium and their emission intensities are found to quench in presence of four nitro aromatics such as 2,6‐dinitrotoluene (2,6‐DNT), 4‐nitrobenzoic acid (4‐NBA), 1,3‐dinitrobenzene (1,3‐DNB), and 4‐nitrotoluene (4‐NT) with the complex 4 having the highest quenching capability. Fluorescence sensing ability and anti interference ability were done using complex 4 and 4‐NBA to establish their exclusive detection property. Stern‐Volmer experiments were performed to evaluate the quenching constants. Finally, photo physical experiments such as temperature dependent fluorescence titration study and TCSPC experiment in presence of quencher are carried out to prove the quenching mode as a dynamic.
Four‐Bits‐Per‐Cell Operation in an HfO2‐Based Resistive Switching Device
Authors: Kim Gun Hwan , Ju Hyunsu , Yang Min Kyu , Lee Dong Kyu , Choi Ji Woon , Jang Jae Hyuck , Lee Sang Gil , Cha Ik Su , Park Bo Keun , Han Jeong Hwan , Chung Taek‐Mo , Kim Kyung Min , Hwang Cheol Seong , Lee Young Kuk
Published: August 2017

The quadruple‐level cell technology is demonstrated in an Au/Al2O3/HfO2/TiN resistance switching memory device using the industry‐standard incremental step pulse programming (ISPP) and error checking/correction (ECC) methods. With the highly optimistic properties of the tested device, such as self‐compliance and gradual set‐switching behaviors, the device shows 6σ reliability up to 16 states with a state current gap value of 400 nA for the total allowable programmed current range from 2 to 11 µA. It is demonstrated that the conventional ISPP/ECC can be applied to such resistance switching memory, which may greatly contribute to the commercialization of the device, especially competitively with NAND flash. A relatively minor improvement in the material and circuitry may enable even a five‐bits‐per‐cell technology, which can hardly be imagined in NAND flash, whose state‐of‐the‐art multiple‐cell technology is only at three‐level (eight states) to this day.
All‐Inorganic Halide Perovskites for Optoelectronics: Progress and Prospects
Authors: Liang Jia , Liu Jie , Jin Zhong
Published: August 2017

During the past 8 years, solution‐processed organic–inorganic metal halide (OMH) perovskites have become some of the most notable materials because they can exhibit high solar cell efficiency, exceeding 20%. However, due to the volatile and hygroscopic nature of the organic cations, OMH perovskites suffer from chemical instability, especially at high temperatures. Therefore, all‐inorganic metal halide (IMH) perovskites (CsBX3, B = Pb, Sn, Ge; X = Cl, Br, I) are rapidly emerging as promising alternatives because of their superior stabilities and comparable properties, such as strong emission, high fluorescence quantum yield and tunable bandgap covering entire visible spectrum. Highlighted by these advantages, IMH perovskites have attracted enormous attention, indicating a promising future. In this review, the recent progress on the syntheses of IMH perovskites is outlined. In addition, the research development of IMH perovskites in optoelectronic devices, such as perovskite solar cells, photodetectors, and light‐emitting diodes, is introduced. Finally, the challenges facing the field of IMH perovskites are discussed and some possible solutions based on the available literature are suggested.
Concise Review: Mesenchymal Stromal/Stem Cells: A New Treatment for Sepsis and Septic Shock?
Authors: Laroye Caroline , Gibot Sébastien , Reppel Loïc , Bensoussan Danièle
Published: August 2017

Sepsis and septic shock are the leading cause of admission and mortality in non-coronary intensive care units. Currently, however, no specific treatments are available for this syndrome. Due to the failure of conventional treatments in recent years, research is focusing on innovative therapeutic agents, including cell therapy. One particular type of cell, mesenchymal stromal/stem cells (MSCs), has raised hopes for the treatment of sepsis. Indeed, their immunomodulatory properties, antimicrobial activity and capacity of protection against organ failure confer MSCs with a major advantage to treat the immune and inflammatory dysfunctions associated with sepsis and septic shock. After a brief description of the pathophysiology of sepsis and septic shock, the latest advances in the use of MSCs to treat sepsis will be presented.
The role S‐nitrosylation in manganese‐induced autophagy dysregulation in SH‐SY5Y cells
Authors: Ma Zhuo , Wang Can , Liu Chang , Yan Dong‐Ying , Deng Yu , Liu Wei , Yang Tian‐Yao , Xu Zhao‐Fa , Xu Bin
Published: August 2017

Overexposure to manganese (Mn) has been known to induce nitrosative stress. The dysregulation of autophagy has implicated in nitric oxide (NO) bioactivity alterations. However, the mechanism of Mn‐induced autophagic dysregulation is unclear. The protein of Bcl‐2 was considered as a key role that could participate to the autophagy signaling regulation. To further explore whether S‐nitrosylation of Bcl‐2 involved in Mn‐induced autophagy dysregulation, we treated human neuroblastoma (SH‐SY5Y) cells with Mn and pretreated cells with 1400 W, a selective iNOS inhibitor. After cells were treated with 400 μM Mn for 24 h, there were significant increases in production of NO, inducible NO synthase (iNOS) activity, the mRNA and protein expressions of iNOS. Interestingly, autophagy was activated after cells were treated with Mn for 0–12 h; while the degradation process of autophagy‐lysosome pathway was blocked after cells were treated with Mn for 24 h. Moreover, S‐nitrosylated JNK and Bcl‐2 also increased and phospho‐JNK and phospho‐Bcl‐2 reduced in Mn‐treated cells. Then, the affinity between Bcl‐2 and Beclin‐1 increased significantly in Mn‐treated cells. We used the 1400 W to neutralize Mn‐induced nitrosative stress. The results showed that S‐nitrosylated JNK and Bcl‐2 reduced while their phosphorylation were recovered to some extent. The findings revealed that NO‐mediated S‐nitrosylation of Bcl‐2 directly affected the interaction between Beclin‐1 and Bcl‐2 leading to autophagy inhibition.
Cellular apoptosis and cardiac dysfunction in STZ‐induced diabetic rats attenuated by anthocyanins via activation of IGFI‐R/PI3K/Akt survival signaling
Authors: Huang Pei‐Chen , Wang Guei‐Jane , Fan Ming‐Jen , Asokan Shibu Marthandam , Liu Yin‐Tso , Padma Viswanadha Vijaya , Lin Yi‐Lin , Lai Chao‐Hung , Chen Yu‐Feng , Liao Hung‐En , Huang Chih‐Yang
Published: August 2017

Anthocyanins are known cyto‐protective agents against various stress conditions. In this study cardio‐protective effect of anthocyanins from black rice against diabetic mellitus (DM) was evaluated using a streptozotocin (STZ)‐induced DM rat model. Five‐week‐old male Wistar rats were administered with STZ (55 mg kg−1, IP) to induce DM; rats in the treatment group received 250 mg oral anthocyanin/kg/day during the 4‐week treatment period. DM and the control rats received normal saline through oral gavage. The results reveal that STZ‐induced DM elevates myocardial apoptosis and associated proapoptotic proteins but down‐regulates the proteins of IGF1R mediated survival signaling mechanism. Furthermore, the functional parameters such as the ejection‐fraction and fraction‐shortening in the DM rat hearts declined considerably. However, the rats treated with anthocyanins significantly reduced apoptosis and the associated proapoptotic proteins and further increased the survival signals to restore the cardiac functions in DM rats. Anthocyanin supplementation enhances cardiomyocyte survival and restores cardiac function.
Integrative approaches in HIV‐1 non‐nucleoside reverse transcriptase inhibitor design
Authors: Poongavanam Vasanthanathan , Namasivayam Vigneshwaran , Vanangamudi Murugesan , Al Shamaileh Hadi , Veedu Rakesh N , Kihlberg Jan , Murugan N Arul
Published: August 2017

The design of inhibitors for human immunodeficiency virus type‐1 reverse transcriptase (HIV‐1 RT) is one of the most successful approaches for the treatment of HIV infections. Among the HIV‐1 RT inhibitors, non‐nucleoside reverse transcriptase inhibitors (NNRTIs) constitute a prominent drug class, which includes nevirapine, delavirdine, efavirenz, etravirine, and rilpivirine approved for clinical use. However, the efficiency of many of these drugs has been undermined by drug‐resistant variants of HIV‐1 RT, and it therefore becomes inevitable to design novel drugs to cope with resistance. Here, we discuss various drug design strategies, which include traditional medicinal chemistry, computational chemistry, and chemical biology approaches. In particular, computational modeling approaches, including machine learning, empirical descriptors‐based, force‐field, ab initio, and hybrid quantum mechanics/molecular mechanics‐based methods are discussed in detail. We foresee that these methods will have a major impact on efforts to guide the design and discovery of the next generation of NNRTIs that combat RT multidrug resistance. WIREs Comput Mol Sci 2018, 8:e1328. doi: 10.1002/wcms.1328

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics

Computer and Information Science > Chemoinformatics

Molecular and Statistical Mechanics > Free Energy Methods
BAGEL: Brilliantly Advanced General Electronic‐structure Library
Authors: Shiozaki Toru
Published: August 2017

On behalf of the development team, I review the capabilities of the Brilliantly Advanced General Electronic‐structure Library (BAGEL) program package in this article. BAGEL is a newly developed full‐fledged program package for electronic‐structure computation in quantum chemistry, which is released under the GNU General Public License with many contributions from the developers. The unique features include analytical CASPT2 nuclear energy gradients and derivative couplings, relativistic multireference wave functions based on the Dirac equation, and implementations of novel electronic structure theories. All of the programs are efficiently parallelized using both threads and MPI processes. We also discuss the code generator SMITH3, which has been used to implement some of the programs in BAGEL. The developers’ contributions are listed at the end of the main text. WIREs Comput Mol Sci 2018, 8:e1331. doi: 10.1002/wcms.1331

This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods
Metabolic interactions in cancer: cellular metabolism at the interface between the microenvironment, the cancer cell phenotype and the epigenetic landscape
Authors: Rinaldi Gianmarco , Rossi Matteo , Fendt Sarah‐Maria
Published: August 2017

Metabolism is tied into complex interactions with cell intrinsic and extrinsic processes that go beyond the conversion of nutrients into energy and biomass. Indeed, metabolism is a central cellular hub that interconnects and influences the microenvironment, the cellular phenotype, cell signaling, and the (epi)genetic landscape. While these interactions evolved to support survival and function of normal cells, they are hijacked by cancer cells to enable cancer maintenance and progression. Thus, a mechanistic and functional understanding of complex metabolic interactions provides a basis for the discovery of novel metabolic vulnerabilities in cancer. In this review, we will summarize and provide context for the to‐date discovered complex metabolic interactions by discussing how the microenvironment as well as the cellular phenotype define cancer metabolism, and how metabolism shapes the epigenetic state of cancer cells. Many of the studies investigating the crosstalk of metabolism with cell intrinsic and extrinsic processes have used integrative data analysis approaches at the interface between computational and experimental cancer research, and we will highlight those throughout the review. In conclusion, identifying and understanding complex metabolic interactions is a basis for deciphering novel metabolic vulnerabilities of cancer cells. WIREs Syst Biol Med 2018, 10:e1397. doi: 10.1002/wsbm.1397

This article is categorized under:

Biological Mechanisms > Metabolism

Physiology > Mammalian Physiology in Health and Disease
Structural Characterization of (Arylimido)vanadium(V) Compounds with 2,6‐Difluorophenoxide Ligand
Authors: Moriuchi Toshiyuki , Sakuramoto Takashi , Nishina Masafumi , Kawai Ryota , Hirao Toshikazu
Published: August 2017

The (arylimido)vanadium(V) compound, [(p‐MeOC6H4N)V(OiPr)3] was demonstrated to undergo ligand exchange reaction with one or two equivalents of 2,6‐difluorophenol, affording the (arylimido)vanadium(V) compounds, [(p‐MeOC6H4N)V(OiPr)2(O‐2,6‐F2Ph)] and [(p‐MeOC6H4N)V(OiPr)(O‐2,6‐F2Ph)2]. Their X‐ray crystallographic analyses elucidated the μ‐isopropoxido‐bridged dimeric structures, wherein each vanadium atom has a trigonal‐bipyramidal arrangement with the imido and bridging isopropoxide ligands in the apical positions. The isopropoxide ligand was selectively employed as a bridging ligand between two central vanadium atoms. On the other hand, the reaction of the (arylimido)vanadium(V) compound, [(p‐MeOC6H4N)VCl3] and three equivalents of lithium 2,6‐difluorophenoxide gave the (arylimido)vanadium(V) compound, [(p‐MeOC6H4N)V(O‐2,6‐F2Ph)3]. In the crystal packing, the thus‐obtained compound showed a distorted trigonal‐bipyramidal environment at the vanadium atoms with the μ‐phenoxido‐bridged dimeric structure, wherein the 2,6‐difluorophenoxide ligand was found to serve as a bridging ligand.
NaP7–xAsx, Tuning of Electronic Properties in a Polypnictide and Heading towards Helical One‐dimensional Semiconductors
Authors: Baumgartner Maximilian , Wylezich Thomas , Baumer Franziska , Pielmeier Markus , Vogel Anna , Weihrich Richard , Nilges Tom
Published: August 2017

Structural, electronic, and vibrational spectroscopic investigations were performed for the solid solution NaP7–xAsx up to x = 3.5 featuring a helical polypnictide substructure. Depending on the As content the LiP7 (for x = 0 to 0.8 and 2.5 to 3.5) or KP15 (x = 1.0 to 2.4) structure type is realized up to an maximum As content of x = 3.5. The crystal structures of two selected phases were determined and the distribution of As in the polyanionic substructure was determined. The full solid solution up to x = 7 was subject to a quantum chemical DFT analysis in order to get insights into the stabilities and phase formation tendencies. Van der Waals interactions between the structure subunits were estimated and first principle investigations towards a delamination and nano structuring of NaP7–xAsx crystals into one‐dimensional semiconductors were performed.
De l'apport théorique freudien aux applications en douleur chronique
Authors: Tiberghien S. , Laterrade C.
Published: August 2017

Issu de la sexologie et conceptualisé par la psychanalyse, le masochisme est au carrefour de plusieurs concepts fondamentaux. Partant de la paradoxalité du masochisme dans la vie psychique, Freud explora les enjeux inconscients de trois grandes formes du masochisme : le masochisme primaire, le masochisme féminin et le masochisme pervers. Chaque forme renvoie à différents aménagements psychiques, à une fixation au stade prégénital ou œdipien du développement psychosexuel. Au fil des décennies, Freud montre comment le masochisme va au-delà du simple plaisir à souffrir. Le masochisme repose sur des fantasmes inconscients dans lequel la passivité ou la soumission à la douleur viennent garantir un équilibre pulsionnel chez le sujet. Nous rencontrons régulièrement le masochisme en structure douleur chronique, expression de l'équilibre psychique entre le patient et sa douleur. Sa compréhension éclaire les freins et les résistances au soulagement. Il s'agit alors d'en considérer les enjeux transférentiels dans la relation thérapeutique en clinique de la douleur.
Postnatal development of GABAergic interneurons and perineuronal nets in mouse temporal cortex subregions
Authors: Ueno Hiroshi , Suemitsu Shunsuke , Murakami Shinji , Kitamura Naoya , Wani Kenta , Okamoto Motoi , Aoki Shozo , Ishihara Takeshi
Published: August 2017

In human neuropsychiatric disorders, there are functional and anatomical abnormalities of GABAergic interneurons in each temporal cortex subregion. Furthermore, accumulation of amyloid‐β is observed in the temporal cortex in the early stages of Alzheimer's disease. Each subregion of the temporal cortex has an important role in coordinating the input and output of the hippocampus. When subregions of the temporal cortex are impaired, memory and learning ability decrease. GABAergic interneurons control excitatory neurons, forming the cortico‐cortical and cortico‐hippocampal networks. However, in temporal cortex subregions, details of the distribution and developmental processes of GABAergic interneurons and perineuronal nets (PNNs) have not been elucidated. Here we examined the development of GABAergic interneurons and PNNs in mouse temporal cortex subregions. Results indicate that temporal cortex GABAergic interneurons have developmental stages different to those of the primary sensory cortex. In addition, the density of PNNs in the temporal cortex is lower than that in the sensory cortex. Furthermore, we found that the Wisteria floribunda agglutinin‐reactive extracellular matrix molecule is present in the upper level of layer 1 of the temporal cortex. These results support the idea that mouse temporal cortex subregions develop differently from other cortical regions and have region‐specific characteristics after maturation. The present study results suggested that the structure of the temporal cortex is significantly different from the sensory cortex and that temporal cortex may be highly vulnerable to neuropsychiatric and neurodegenerative disorders.
Colonial Buganda and the End of Empire
Authors: Earle Jonathon L.
Published: August 2017

Colonial Buganda was one of the most important and richly documented kingdoms in East Africa. In this book, Jonathon L. Earle offers the first global intellectual history of the Kingdom, using a series of case studies, interviews and previously inaccessible private archives to offer new insights concerning the multiple narratives used by intellectuals. Where previous studies on literacy in Africa have presupposed 'sacred' or 'secular' categories, Earle argues that activists blurred European epistemologies as they reworked colonial knowledge into vernacular debates about kingship and empire. Furthermore, by presenting Catholic, Muslim and Protestant histories and political perspectives in conversation with one another, he offers a nuanced picture of the religious and social environment. Through the lives, politics, and historical contexts of these African intellectuals, Earle presents an important argument about the end of empire, making the reader rethink the dynamics of political imagination and historical pluralism in the colonial and postcolonial state.
Cerebral Manifestations of Mitochondrial Disorders
Authors: Finsterer Josef , Carvalho Elmano Henrique Torres de
Published: August 2017

This review aims at summarizing and discussing previous and recent findings concerning the cerebral manifestations of mitochondrial disorders (MIDs). MIDs frequently present as mitochondrial multiorgan disorder syndrome (MIMODS) either already at onset or later in the course. After the muscle, the brain is the organ second most frequently affected in MIMODS. Cerebral manifestations of MIDs are variable and may present with or without a lesion on imaging or functional studies, but there can be imaging/functional lesions without clinical manifestations. The most well-known cerebral manifestations of MIDs include stroke-like episodes, epilepsy, headache, ataxia, movement disorders, hypopituitarism, muscle weakness, psychiatric abnormalities, nystagmus, white and gray matter lesions, atrophy, basal ganglia calcification, and hypometabolism on 2-deoxy-2-[fluorine-18]fluoro-D-glucose positron-emission tomography. For most MIDs, only symptomatic therapy is currently available. Symptomatic treatment should be supplemented by vitamins, cofactors, and antioxidants. In conclusion, cerebral manifestations of MIDs need to be recognized and appropriately managed because they strongly determine the outcome of MID patients.
Geometrical shock dynamics applied to condensed phase materials
Authors: Lieberthal Brandon , Stewart D. Scott , Hernández Alberto
Published: August 2017

Taylor blast wave (TBW) theory and geometrical shock dynamics (GSD) theory describe a radially expanding shock wave front through an inert material, typically an ideal gas, in the strong blast wave limit and weak acoustic limit respectively. We simulate a radially expanding blast shock in air using a hydrodynamic simulation code and numerically describe the intermediate region between these two limits. We test our description of the intermediate shock phase through a two-dimensional simulation of the Bryson and Gross experiment. We then apply the principles of GSD to materials that follow the Mie–Gruneisen equation of state, such as plastics and metals, and derive an equation that accurately relates the acceleration, velocity and curvature of the shock through these materials. Along with detonation shock dynamics (DSD), which describes detonation shock propagation through high explosive fluids, we develop a hybrid DSD/GSD model for the simulation of heterogeneous explosives. This model enables computationally efficient simulation of the shock front in high explosive/inert mixtures consisting of simple or complex geometric configurations. We simulate an infinite two-dimensional slab consisting of one half explosive, PBXN-9, and one half aluminium and model the boundary angle conditions using shock polar analysis. We also simulate a series of high explosive unit cells embedded with aluminium spherical particles, and we compare the propagation of the detonation shock front with a direct numerical simulation performed with the ALE3D code.
On “personal protective deities” (’go ba'i lha) and the Old Tibetan verb ’go
Authors: Dotson Brandon
Published: August 2017

The ’go ba'i lha – usually translated with “personal protective deities” – are often approached as an integral part of Tibetan popular or folk religion. Typically five in number, these gods are said to be born with an individual, to reside in his or her body, and to protect various facets of his or her existence. As for the etymology of ’go ba'i lha, while “protective deities” is the dominant translation, it remains a highly communicative and contextual gloss of ’go, whose attested meanings do not include “to protect”. The present contribution offers a new analysis of the verb ’go based on attestations in Old Tibetan texts from Dunhuang from the ninth and tenth centuries. In doing so, the article not only proposes a new etymology of ’go ba'i lha, but also touches on the changing relationship between Tibetans and their gods over time.
CRIMINALIZATION WITHOUT PUNISHMENT
Authors: Edwards James
Published: August 2017

What is the relationship between a theory of permissible criminalization and a theory of permissible state punishment? One answer runs as follows: to identify the conditions under which it is permissible to criminalize, we must first identify the conditions under which it is permissible for the state to punish. The latter set of conditions doubles as part of the former set. Call this the punishment thesis. It is a thesis with some prominent advocates, but explicit defenses are hard to find. In this paper, I ask how such a defense might proceed. Section I clarifies the punishment thesis itself. Sections II–IV consider a number of arguments in its favor. My contention is that none of these arguments succeeds. Unless a better argument can be found, we should reject the punishment thesis.
Three-Dimensional Nanoscale Mapping of State-of-the-Art Field-Effect Transistors (FinFETs)
Authors: Parikh Pritesh , Senowitz Corey , Lyons Don , Martin Isabelle , Prosa Ty J. , DiBattista Michael , Devaraj Arun , Meng Y. Shirley
Published: August 2017

The semiconductor industry has seen tremendous progress over the last few decades with continuous reduction in transistor size to improve device performance. Miniaturization of devices has led to changes in the dopants and dielectric layers incorporated. As the gradual shift from two-dimensional metal-oxide semiconductor field-effect transistor to three-dimensional (3D) field-effect transistors (finFETs) occurred, it has become imperative to understand compositional variability with nanoscale spatial resolution. Compositional changes can affect device performance primarily through fluctuations in threshold voltage and channel current density. Traditional techniques such as scanning electron microscope and focused ion beam no longer provide the required resolution to probe the physical structure and chemical composition of individual fins. Hence advanced multimodal characterization approaches are required to better understand electronic devices. Herein, we report the study of 14 nm commercial finFETs using atom probe tomography (APT) and scanning transmission electron microscopy–energy-dispersive X-ray spectroscopy (STEM-EDS). Complimentary compositional maps were obtained using both techniques with analysis of the gate dielectrics and silicon fin. APT additionally provided 3D information and allowed analysis of the distribution of low atomic number dopant elements (e.g., boron), which are elusive when using STEM-EDS.
A compact elevated CPW-fed antenna with slotted ground plane for wideband applications
Authors: Devi Reeta , Neog Dipak KR.
Published: August 2017

In this paper, a miniaturized elevated-coplanar-waveguide-fed antenna with a slotted ground plane is proposed. This antenna has a compact size of 25 mm × 25 mm × 1.6 mm where the ground plane is reduced by etching a trapezoidal slot along with two extended slits. A −10 dB wide-impedance bandwidth of 126% ranging from 2.8 to 12.4 GHz is achieved for the proposed antenna. The proposed antenna is successfully manufactured and experimentally investigated. The measurement shows a good agreement with the simulation. The measured radiation characteristic shows a stable and nearly omnidirectional pattern over the operating bandwidth region. The effects of various parameters on the antenna performance are analyzed and discussed as well.
History of vascular reactivity models and their involvement in hypertension pathogenesis
Authors: Conceição-Vertamatti Ana Gabriela , Borghi Filipy , Canova Fernando , Grassi-Kassisse Dora Maria
Published: August 2017

Abstract. Hypertension is a silent and multifactorial disease. Over two centuries ago, the first device to record blood pressure was developed, making it possible to determine normotension and to establish criteria for hypertension. Since then, several studies have contributed to advance knowledge in this area, promoting significant advances in pharmacological treatments and, as a result, increasing survival of hypertensive people. The main models developed for the study of hypertension and the main findings in the vascular area are included in this review. We considered aspects related to vascular reactivity, changes in the population, and action of beta adrenergic receptors in the pathogenesis of hypertension.
Langfristige Folgen früher psychosozialer Risiken
Authors: Zohsel Katrin , Hohm Erika , Schmidt Martin H. , Brandeis Daniel , Banaschewski Tobias , Laucht Manfred
Published: August 2017

Zusammenfassung. In einer prospektiven Längsschnittstudie wurden Auswirkungen früher psychosozialer Risiken bis ins junge Erwachsenenalter untersucht und dabei die Rolle von affektiver und behavioraler Dysregulation im Kindesalter als vermittelndem Faktor überprüft. Drei Monate nach der Geburt wurde das Vorliegen von 11 psychosozialen Belastungsfaktoren erfasst. Im Alter von 8 – 15 Jahren wurde dreimal das Child Behavior Checklist-Dysregulationsprofil (CBCL-DP) erhoben. Mit 25 Jahren wurde ein Strukturiertes Klinisches Interview durchgeführt und 309 der Teilnehmer füllten den Young Adult Self-Report aus. Frühe psychosoziale Risiken gingen mit einem erhöhten Risiko für das Vorliegen eines Substanzmissbrauchs im jungen Erwachsenenalter sowie mit erhöhtem externalisierendem und internalisierendem Problemverhalten einher. Der Zusammenhang zwischen frühen psychosozialen Risiken und späterem externalisierendem bzw. internalisierendem Problemverhalten wurde durch das CBCL-DP vermittelt.
Resilienz und Ressourcen im Verlauf der Entwicklung
Authors: Hohm Erika , Laucht Manfred , Zohsel Katrin , Schmidt Martin H. , Esser Günter , Brandeis Daniel , Banaschewski Tobias
Published: August 2017

Zusammenfassung. Anhand von Daten der Mannheimer Risikokinderstudie, die sich mit der langfristigen Entwicklung von Kindern mit unterschiedlichen Risikobelastungen beschäftigt, wird gezeigt, wie Schutzfaktoren aufseiten des Kindes und seines familiären Umfelds im Verlauf der Entwicklung wirksam werden und zur Entstehung von Resilienz beitragen können. Eine besondere Rolle kommt dabei positiven frühen Eltern-Kind-Beziehungen zu (sowohl Mutter- als auch Vater-Kind-Interaktionen). Daneben spielen auch Interaktionserfahrungen im Alter von zwei Jahren des Kindes eine bedeutsame Rolle; diese schützen Risikokinder davor, eine ungünstige Entwicklung zu nehmen und tragen dazu bei, dass sich Kinder, die in psychosozialen Hochrisikofamilien aufwachsen, trotz ungünstiger „Startbedingungen“ positiv entwickeln. Neben Merkmalen der sozialen Umwelt nehmen auch sprachliche, sozial-emotionale und internale Kompetenzen des Kindes im Entwicklungsverlauf eine wichtige Rolle ein. Diese Kompetenzen ermöglichen es Risikokindern auch unter widrigen Lebensumständen (psychosoziale Hochrisikofamilien, Aufwachsen in Armutsverhältnissen) erfolgreich zu bestehen. Darüber hinaus zeigt die Arbeit, dass Resilienz ein Persönlichkeitsmerkmal ist, das ab dem frühen Erwachsenenalter eine hohe Stabilität besitzt. Mit diesen Befunden verweist die Arbeit auf die große Bedeutung der Resilienz bei der Vorhersage der langfristigen Entwicklung von Risikokindern.
Die semantische Repräsentation von Emotionsbegriffen bei Kindern im Grundschulalter
Authors: Kauschke Christina , Bahn Daniela , Vesker Michael , Schwarzer Gudrun
Published: August 2017

Zusammenfassung. Dem Erwerb von Emotionsbegriffen kommt eine besondere Bedeutung im kindlichen Lexikonerwerb zu. Zum einen ermöglicht das Emotionsvokabular den zwischenmenschlichen Austausch über Gefühle, zum anderen erfüllen Emotionsbegriffe aufgrund ihrer besonderen semantischen Eigenschaften eine Brückenfunktion für den Erwerb abstrakter Wortbedeutungen. Die vorliegende Studie untersucht die Wortverarbeitung bei 86 Kindern zwischen sechs und neun Jahren an einer Auswahl von 24 Emotionsbegriffen. Vier Aufgaben mit unterschiedlichem Schwierigkeitsgrad und unterschiedlichen Anforderungen an die semantische Verarbeitung wurden eingesetzt: lexikalisches Entscheiden (Wort-Pseudowort), emotionales Kategorisieren (positiv-negativ), Wortverstehen (Wortauswahl aus Ablenkermenge) und Wortproduktion (Satzvervollständigung). In allen Aufgabentypen zeigten sich Verbesserungen mit zunehmendem Alter, wobei sich die Leistungen in Abhängigkeit vom Aufgabentyp unterschieden. Die Ergebnisse zu Korrektheit, Reaktionszeit und Fehlertypen verdeutlichen, wie Kinder ihr Wissen über die Bedeutung von Emotionsbegriffen im Laufe des Grundschulalters ausdifferenzieren.
Dispositional Properties of Metaphor
Authors: Fetterman Adam K. , Meier Brian P. , Robinson Michael D.
Published: August 2017

Abstract. Metaphors often characterize prosocial actions and people as sweet. Three studies sought to explore whether conceptual metaphors of this type can provide insights into the prosocial trait of agreeableness and into daily life prosociality. Study 1 (n = 698) examined relationships between agreeableness and food taste preferences. Studies 2 (n = 66) and 3 (n = 132) utilized daily diary protocols. In Study 1, more agreeable people liked sweet foods to a greater extent. In Study 2, greater sweet food preferences predicted a stronger positive relationship between daily prosocial behaviors and positive affect, a pattern consistent with prosocial motivation. Finally, Study 3 found that daily prosocial feelings and behaviors varied positively with sweet food consumption in a manner that could not be ascribed to positive affect or self-control. Altogether, the findings encourage further efforts to extend conceptual metaphor theory to the domain of personality processes, in part by building on balance-related ideas.
Exploring the Contributions of Grit and Personality in the Prediction of Self- and Other-Forgiveness
Authors: Walker Christopher O.
Published: August 2017

Abstract. The current study explored a series of proposed antecedent predictors of forgiveness. Grit, or an individual’s level of persistence toward long-term goals, was investigated along with personality as predictors of self- and other-forgiveness. A sample of 218 college students from the Midwestern United States completed three questionnaires and a demographics sheet. Consistent with theoretical predictions, correlations among grit, self-forgiveness, and the willingness to forgive others were all positive, as were correlations among a select set of personality factors and both forgiveness orientations. With regard to predictive relationships, grit was the only significant predictor of both self- and other-forgiveness. Among personality factors, neuroticism served as a significant, negative predictor of self-forgiveness while agreeableness was found to predict other-forgiveness. Discussion and implications of the findings are discussed.