bluuebunny/crossref_metadata_2025 huggingface dataset:
Potential‐Energy Surfaces, the Born–Oppenheimer Approximations, and the Franck–Condon Principle: Back to the Roots
Authors: Mustroph Heinz
Published: June 2016

The concept of a potential‐energy surface (PES) is central to our understanding of spectroscopy, photochemistry, and chemical kinetics. However, the terminology used in connection with the basic approximations is variously, and somewhat confusingly, represented with such phrases as “adiabatic”, “Born–Oppenheimer”, or “Born–Oppenheimer adiabatic” approximation. Concerning the closely relevant and important Franck–Condon principle (FCP), the IUPAC definition differentiates between a classical and quantum mechanical formulation. Consequently, in many publications we find terms such as “Franck–Condon (excited) state”, or a vertical transition to the “Franck–Condon point” with the “Franck–Condon geometry” that relaxes to the excited‐state equilibrium geometry. The Born–Oppenheimer approximation and the “classical” model of the Franck–Condon principle are typical examples of misused terms and lax interpretations of the original theories. In this essay, we revisit the original publications of pioneers of the PES concept and the FCP to help stimulate a lively discussion and clearer thinking around these important concepts.
Investment Mediation and Regional Economic Integration Organizations: The European Union and the Central American Integration System in Comparative Perspective
Authors: Giupponi Belen Olmos
Published: June 2016

International investment agreements (IIAs) often provide for arbitration as the main dispute settlement method, but they rarely regulate mediation. However, this legal landscape is changing rapidly due to the inclusion of clauses contemplating mediation and the adoption of specific rules by international bodies. Investment mediation is presented as a complementary tool that avoids the escalation of conflicts and is more effective and less time consuming and causes less disruption to the investment environment. Against this backdrop, the main aim of this article is to explore recent developments in investment mediation in regional economic integration organizations (REIOs), focusing on the European Union's experience.
Direct Conversion of Mono‐ and Polysaccharides into 5‐Hydroxymethylfurfural Using Ionic‐Liquid Mixtures
Authors: Siankevich Sviatlana , Fei Zhaofu , Scopelliti Rosario , Jessop Philip G. , Zhang Jiaguang , Yan Ning , Dyson Paul J.
Published: June 2016

Platform chemicals are usually derived from petrochemical feedstocks. A sustainable alternative commences with lignocellulosic biomass, a renewable feedstock, but one that is highly challenging to process. Ionic liquids (ILs) are able to solubilize biomass and, in the presence of catalysts, convert the biomass into useful platform chemicals. Herein, we demonstrate that mixtures of ILs are powerful systems for the selective catalytic transformation of cellulose into 5‐hydroxymethylfurfural (HMF). Combining ILs with continuous HMF extraction into methyl‐isobutyl ketone or 1,2‐dimethoxyethane, which form a biphase with the IL mixture, allows the online separation of HMF in high yield. This one‐step process is operated under relatively mild conditions and represents a significant step forward towards sustainable HMF production.
A Facile Surface Passivation of Hematite Photoanodes with Iron Titanate Cocatalyst for Enhanced Water Splitting
Authors: Wang Lei , Nguyen Nhat Truong , Schmuki Patrik
Published: June 2016

The surface modification of semiconductor photoelectrodes with passivation overlayers has attracted great attention as an effective strategy to improve the charge separation and charge transfer processes across the semiconductor‐electrolyte interface. In this work, a thin Fe2TiO5 layer was decorated on nanostructured hematite nanoflake and nanocoral photoanodes (by thermal oxidation of iron foils) by a facile water‐based solution method. Photoelectrochemical measurements show that the Fe2O3/Fe2TiO5 heterostructure exhibits an obvious enhancement in photoelectrochemical water oxidation performance compared to the pristine hematite. For example, at 1.23 V versus the reversible hydrogen electrode (VRHE) in 1 m KOH under AM 1.5 G (100 mW cm−2) illumination, a 4–8× increase in the water oxidation photocurrent is achieved for Fe2O3/Fe2TiO5, and a considerable cathodic shift of the onset potential up to 0.53–0.62 VRHE is obtained. Moreover, the performance of the Fe2O3/Fe2TiO5 heterostructure can be further improved by decoration with a SnOx layer. The enhancement in photocurrent can be attributed to the synergistic effect of Fe2TiO5/SnOx overlayers passivating surface states, and thus reducing surface electron–hole recombination.
Lamina specific postnatal development of PKCγ interneurons within the rat medullary dorsal horn
Authors: Mermet‐Joret Noemie , Chatila Nadwa , Pereira Bruno , Monconduit Lénaic , Dallel Radhouane , Antri Myriam
Published: June 2016

Protein kinase C gamma (PKCγ) interneurons, located in the superficial spinal (SDH) and medullary dorsal horns (MDH), have been shown to play a critical role in cutaneous mechanical hypersensitivity. However, a thorough characterization of their development in the MDH is lacking. Here, it is shown that the number of PKCγ‐ir interneurons changes from postnatal day 3 (P3) to P60 (adult) and such developmental changes differ according to laminae. PKCγ‐ir interneurons are already present at P3‐5 in laminae I, IIo, and III. In lamina III, they then decrease from P11–P15 to P60. Interestingly, PKCγ‐ir interneurons appear only at P6 in lamina IIi, and they conversely increase to reach adult levels at P11–15. Analysis of neurogenesis using bromodeoxyuridine (BrdU) does not detect any PKCγ‐BrdU double‐labeling in lamina IIi. Quantification of the neuronal marker, NeuN, reveals a sharp neuronal decline (∼50%) within all superficial MDH laminae during early development (P3–15), suggesting that developmental changes in PKCγ‐ir interneurons are independent from those of other neurons. Finally, neonatal capsaicin treatment, which produces a permanent loss of most unmyelinated afferent fibers, has no effect on the development of PKCγ‐ir interneurons. Together, the results show that: (i) the expression of PKCγ‐ir interneurons in MDH is developmentally regulated with a critical period at P11‐P15, (ii) PKCγ‐ir interneurons are developmentally heterogeneous, (iii) lamina IIi PKCγ‐ir interneurons appear less vulnerable to cell death, and (iv) postnatal maturation of PKCγ‐ir interneurons is due to neither neurogenesis, nor neuronal migration, and is independent of C‐fiber development. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 102–119, 2017
Mass spectrometric characterization of the hypoxia‐inducible factor (HIF) stabilizer drug candidate BAY 85‐3934 (molidustat) and its glucuronidated metabolite BAY‐348, and their implementation into routine doping controls
Authors: Dib Josef , Mongongu Cynthia , Buisson Corinne , Molina Adeline , Schänzer Wilhelm , Thuss Uwe , Thevis Mario
Published: June 2016

The development of new therapeutics potentially exhibiting performance‐enhancing properties implicates the risk of their misuse by athletes in amateur and elite sports. Such drugs necessitate preventive anti‐doping research for consideration in sports drug testing programmes. Hypoxia‐inducible factor (HIF) stabilizers represent an emerging class of therapeutics that allows for increasing erythropoiesis in patients. BAY 85‐3934 is a novel HIF stabilizer, which is currently undergoing phase‐2 clinical trials. Consequently, the comprehensive characterization of BAY 85‐3934 and human urinary metabolites as well as the implementation of these analytes into routine doping controls is of great importance. The mass spectrometric behaviour of the HIF stabilizer drug candidate BAY 85‐3934 and a glucuronidated metabolite (BAY‐348) were characterized by electrospray ionization‐(tandem) mass spectrometry (ESI‐MS(/MS)) and multiple‐stage mass spectrometry (MSn). Subsequently, two different laboratories established different analytical approaches (one each) enabling urine sample analyses by employing either direct urine injection or solid‐phase extraction. The methods were cross‐validated for the metabolite BAY‐348 that is expected to represent an appropriate target analyte for human urine analysis. Two test methods allowing for the detection of BAY‐348 in human urine were applied and cross‐validated concerning the validation parameters specificity, linearity, lower limit of detection (LLOD; 1–5 ng/mL), ion suppression/enhancement (up to 78%), intra‐ and inter‐day precision (3–21%), recovery (29–48%), and carryover. By means of ten spiked test urine samples sent blinded to one of the participating laboratories, the fitness‐for‐purpose of both assays was provided as all specimens were correctly identified applying both testing methods. As no post‐administration study samples were available, analyses of authentic urine specimens remain desirable. Copyright © 2016 John Wiley & Sons, Ltd.
Aridity, not fire, favors nitrogen‐fixing plants across tropical savanna and forest biomes
Authors: Pellegrini Adam F. A. , Staver A. Carla , Hedin Lars O. , Charles‐Dominique Tristan , Tourgee Amy
Published: June 2016

Tropical savannas are hypothesized to be hot spots of nitrogen‐fixer diversity and activity because of the high disturbance and low nitrogen characteristic of savanna landscapes. Here we compare the abundances of nitrogen‐fixing and non‐fixing trees in both tropical savannas and tropical forests under climatically equivalent conditions, using plant inventory studies across 566 plots in South America and Africa. A single factor, aridity, explained 19–54% of the variance in fixer abundance, and unexpectedly was more important than fire frequency, biome, and continent. Nitrogen fixers were more abundant in arid environments; as a result, African savannas, which tend to be drier, were richer in nitrogen fixers than South American savannas. Fixer abundance converged on similar levels in forests in both continents. We conclude that climate plays a greater role than fire in determining the distribution of nitrogen fixers across tropical savanna and forest biomes.
Making Use of Obstacles: Alternative Synthetic Approaches towards Osmium(II)‐Based Photochemical Molecular Devices
Authors: Habermehl Johannes , Sorsche Dieter , Murszat Petra , Rau Sven
Published: June 2016

Two synthetic approaches towards the mononuclear complex [(tbbpy)2OsII(tpphz)]2+ (tbbpy = 4,4′‐di‐tert‐butyl‐2,2′‐bipyridine; tpphz = tetrapyrido[3,2‐a:2′,3′‐c:3′′,2′′‐h:2′′′,3′′′‐j]phenazine) based on the precursor [(tbbpy)2OsIICl2] and its oxidized side product [(tbbpy)2OsIIICl2]+ are presented. The first route is analogous to that for the isostructural ruthenium complex, whereas the second strategy efficiently uses the oxidized OsIII complex under reducing conditions to obtain so‐called virtual dilution, which avoids the formation of the dinuclear complex [(tbbpy)2OsII(tpphz)OsII(tbbpy)2]. Concentration‐dependent NMR investigations were performed, and a dimerization constant (KD = 400) could be calculated due to π–π interactions of the tpphz moiety. Solid‐state structures of all synthesized complexes show comparable bond lengths and angles with respect to each other and their ruthenium analogues. Photophysical investigations show the expected absorption in the UV/Vis region and a single emission at 758 nm for [(tbbpy)2OsII(tpphz)]2+. Electrochemical measurements show comparable behavior to the structurally similar complexes [(bpy)2M(tpphz)]2+ (M = Os, Ru).
Rational Design of Two‐Dimensional Bimetallic Wave Structures from Zigzag Chains via Site‐Specific Coordination around the 2,6‐Naphthalenediphosphonic Acid Motif
Authors: Bulut Aysun , Zorlu Yunus , Wörle Michael , Paşa Salih , Kurt Hüseyin , Zubieta Jon , Beckmann Jens , Yücesan Gündoğ
Published: June 2016

We report the synthesis of a novel aromatic 2,6‐naphthalenediphosphonic acid (2,6‐NDPA‐H4) and the rational design of molecular, one‐, two‐, and three‐dimensional structures of the resulting copper organophosphonate materials: [{Cu(terpy)}(2,6‐NDPA‐H3)][{Cu(terpy)}(2,6‐NDPA‐H3)(2,6‐NDPA‐H2)]·3H2O (2), [{Cu(terpy)}VO2(2,6‐NDPA‐H)]·H2O (4), [{Cu(terpy)}VO2(2,6‐NDPA‐H)] (3) and [{Cu(H2O)}(NDPA)0.5] (1). Engineering the copper coordination sphere and pH‐controlled phosphonate protonation enabled the site specific dimensional evolution of CuII‐organophosphonate frameworks exploiting the deprotonated phosphonate oxygen arms.
2,5‐Norbornadiene C–C Coupling Reactions Mediated by Iridium Complexes
Authors: Betoré M. Pilar , Casado Miguel A. , García‐Orduña Pilar , Lahoz Fernando J. , Polo Víctor , Oro Luis A.
Published: June 2016

The treatment of [{Ir(µ‐Cl)(cod)}2] (cod = 1,5‐cyclooctadiene) with 2,5‐norbornadiene (nbd) in the presence of triethylphosphane under an atmosphere of ammonia afforded the cation complex [Ir(κC,κC‐C21H24)(NH3)3(PEt3)]Cl (1a) and complex [Ir(κC,κC‐C21H24)Cl(NH3)2(PEt3)] (1b), the structures of which include a novel seven‐membered iridacycle formed by three half‐coupled nbd molecules. The formation of the metallacycle has been found to occur through several steps. First, the nbd displaces the cod in [{Ir(µ‐Cl)(cod)}2] to give the IrIII chloro‐bridged complex [{Ir(κC,κC‐C14H16)(µ‐Cl)(η4‐C7H8)}2] (2), which bears a η4‐C=C‐coordinated nbd and a five‐membered iridacycle formed by two half‐coupled nbd moieties. Further reaction with PEt3 induces the C–C coupling between the iridacycle and the coordinated nbd to give the chloro‐bridged complex [{Ir(κC,κC‐C21H24)(µ‐Cl)(PEt3)}2] (4). Finally, 4 reacts with gaseous ammonia to split the chloro bridges and form species 1a and 1b. Also, complex 2 was found to react with several donor ligands to afford the corresponding mononuclear adducts [Ir(κC,κC‐C14H16)Cl(η4‐C7H8)(L)] [L = py (5), NH3 (6), PMe2Ph (7), tBuNC (8)]. The X‐ray molecular structures of 5, 7 and 8 show the presence of a five‐membered iridacycle, but their stereochemistries differ by virtue of the relative locations of the respective added ligand.
The Dynamic Covalent Chemistry of Esters, Acetals and Orthoesters
Authors: Brachvogel René‐Chris , von Delius Max
Published: June 2016

Dynamic covalent chemistry (DCC) is a vibrant research area that has extended its reach from supramolecular chemistry into fields as diverse as bioconjugation, materials science and systems chemistry. Because DCC crucially rests on reversible organic reactions, considerable effort has been invested in the development of new reactions of this type and the identification of new methods for facilitating existing processes. Our group has recently reported that orthoester exchange is a previously overlooked reversible reaction that is in principle suited for many applications of DCC. This microreview gives an overview on our ongoing work on orthoester exchange, and puts it into the context of previous studies on the related dynamic covalent chemistry of esters and acetals.
Synthesis of Asymmetrical‐Terminally Bifunctionlized Alkanes by Sequential Suzuki–Miyaura Coupling Using B‐Thexylboracyclanes
Authors: Suzuki Ryota , Fuse Shinichiro , Tanaka Hiroshi
Published: June 2016

A one‐pot, sequential Suzuki–Miyaura coupling (SMC) using B‐thexylboracyclanes is reported. We focused on a boracyclane with a bulky B‐substituent as an equivalent of a terminal heterobibora‐functionalized spacer. The first SMC of the boracyclane proceeded by endocyclic B–C bond cleavage due to the steric hindrance of the exocyclic B‐substituent to provide borinic acids. These subsequently underwent the second SMC under harsher conditions by transfer of the less hindered primary alkyl group to provide the asymmetrically bifunctionalized alkyl chain. The seven‐ to five‐membered boracyclanes were adaptable to the sequential SMC reactions to provide terminally bifunctional alkanes, although the efficiency of the transformation of the five‐membered boracyclane was poorer than those of the others. To demonstrate the utility of the method, we successfully prepared several terminally heterobifunctional hexanes in a one‐pot reaction.
The Amadori Rearrangement for Carbohydrate Conjugation: Scope and Limitations
Authors: Hojnik Cornelia , Müller Anne , Gloe Tobias‐Elias , Lindhorst Thisbe K. , Wrodnigg Tanja M.
Published: June 2016

The Amadori rearrangement was investigated for the synthesis of C‐glycosyl‐type neoglycoconjugates. Various amines including diamines, amino‐functionalized glycosides, lysine derivatives, and peptides were conjugated with two different heptoses to generate non‐natural C‐glycosyl‐type glycoconjugates of the d‐gluco and d‐manno series. With these studies, the scope and limitations of the Amadori rearrangement as a conjugation method have been exemplified with respect to the carbohydrate substrate, as well as the amino components.
S‐Geranylated 2‐Thiouridines of Bacterial tRNAs: Chemical Synthesis and Physicochemical Properties
Authors: Leszczynska Grazyna , Sadowska Klaudia , Bartos Paulina , Nawrot Barbara , Sochacka Elzbieta
Published: June 2016

Herein, we report the first synthesis of two recently discovered, prenylated 2‐thiouridine derivatives, 5‐methylaminomethyl‐S‐geranyl‐2‐thiouridine (mnm5geS2U) and 5‐carboxymethylaminomethyl‐S‐geranyl‐2‐thiouridine (cmnm5geS2U). S‐Geranylated 2‐thiouridines were obtained by S‐alkylation of the parent (c)mnm5S2U nucleosides suitably protected at their C5‐alkylamino function. Comparative physicochemical studies of S2U, mnm5S2U, and cmnm5S2U and their S‐geranylated derivatives revealed unique highly hydrophobic properties of the geranylated species and their increased C2′‐endo sugar ring puckering in comparison to their parent 2‐thiouridines.
Synthesis of a Fluorinated Sialophorin Hexasaccharide–Threonine Conjugate for Fmoc Solid‐Phase Glycopeptide Synthesis
Authors: Daum Markus , Broszeit Frederik , Hoffmann‐Röder Anja
Published: June 2016

The decoding of the mechanisms underlying glycan‐mediated recognition in disease and health requires access to structurally well‐defined oligosaccharides as molecular probes. Owing to their often favourable properties, deoxyfluorosugars have emerged as a promising class of selectively modified carbohydrates for biological and immunological studies. In particular the enhanced metabolic stability and intrinsic immunogenicity of fluorinated carbohydrates has spurred research on their use for vaccine design. Herein, a first total synthesis of an orthogonally protected and fluorinated hexasaccharide–threonine conjugate of the natural sialophorin antigen has been accomplished. Starting from readily available monosaccharide building blocks, the targeted glycosyl amino acid 1 was assembled by a [3+3′]‐block glycosylation strategy. Together with its (1→4)‐linked regioisomer the glycan mimic can be applied to solid‐phase glycopeptide synthesis to access novel sialophorin‐derived molecular tools for functional and biomedical studies.
Regio‐ and Stereoselective Synthesis of Valuable Tetracyclic Compounds by Intramolecular Diels–Alder Reactions between Furan and Cyclopropene Moieties
Authors: Hu Junhao , Wang Zhenghai , Gong Yuefa
Published: June 2016

A direct regio‐ and diastereoselective synthetic route for valuable tetracyclic compounds that employs intramolecular Diels–Alder reactions between furanyl and electron‐deficient cyclopropene groups has been developed. The reaction readily proceeds under mild basic conditions to afford potentially bioactive ring‐fused tetracyclic compounds in moderate to high yields with high diastereoselectivities (up to > 20:1). Selective reduction reactions of the Diels–Alder adducts with a Zn/acetic acid system can provide octahydro‐1H‐cyclohepta[c]furan‐1‐ones, which can subsequently undergo acyl transfer reactions with aliphatic amines.
Ring‐Strain Effects in Base‐Induced Sommelet–Hauser Rearrangement: Application to Successive Stereocontrolled Transformations
Authors: Tayama Eiji , Watanabe Kazutoshi , Matano Yoshihiro
Published: June 2016

The base‐induced Sommelet–Hauser (S–H) rearrangement of azetidine‐2‐carboxylic acid ester‐derived ammonium salts into 2‐aryl‐substituted derivatives was demonstrated. The ring‐strain of four‐memberedN‐heterocycles enables efficient generation of the desired ylide intermediate and enhances the rate of the S–H rearrangement. The asymmetric version of the rearrangement was characterized by excellent levels of successive chirality transmissions. The regio‐ and stereo‐controlled nucleophilic ring opening of the rearrangement products produced quaternary α‐aryl amino acid esters with excellent enantiopurities.
Re‐construing politics: The dual impacts of abstraction on political ideology
Authors: Chan Eugene Y.
Published: June 2016

The influence of construal level on political ideology is unclear. Some research says that abstraction polarizes political attitudes by making liberals more liberal and conservatives more conservative. Other research instead argues that an abstract construal causes people to exhibit similar political attitudes as each other. The current research presents two experiments in which abstraction polarizes political attitudes on issues of social inequality. However, abstraction also increases traditionalism, and so it increases a preference for maintaining the societal status quo, such as by increasing one's disagreement with or opposition to homosexuality. The dual impacts of abstraction parallel the two distinct dimensions of political ideology (i.e., acceptance of social inequality and preference for the status quo), both of which prior research on construal level has not yet considered. Overall, the current findings indicate that the effects of construal level and the dimensions underlying political ideology need to be teased apart to fully understand the exact relationship between the two.
Non‐enzymatic Electrochemical Oxidation Based on AuNP/PPy/rGO Nanohybrid Modified Glassy Carbon Electrode as a Sensing Platform for Oxalic Acid
Authors: Sharma Pratigya , Radhakrishnan Sivaprakasam , Jayaseelan Santhana Sivabalan , Kim Byoung‐Suhk
Published: June 2016

In this study, a nanohybrid of gold nanoparticle, polypyrrole, and reduced graphene oxide (AuNP/PPy/rGO) was prepared by an in‐situ chemical synthesis approach. The as‐prepared nanohybrid has been applied for non‐enzymatic electrochemical detection of oxalic acid (OA). The nanohybrid nanocomposite material (AuNP/PPy/rGO) was characterized by field emission scanning electron microscopy (FE‐SEM), X‐ray diffraction (XRD), Fourier transform infrared (FT‐IR) spectroscopy and cyclic voltammetry (CV), and further employed as novel sensing material to quantify OA. Compared with PPy/rGO, the AuNP/PPy/rGO nanocomposite showed enhanced electrocatalytic activity towards OA oxidation. The oxidation current of OA is linear to its concentration in the range of 0.05 mM to 7 mM with a lower detection limit of 0.02 mM. The experimental results also showed that the fabricated sensor has good reproducibility (R.S.D=2.59 % for 0.5 mM, n=3), high sensitivity (91 μA/mM), excellent stability and good anti‐interference property against electroactive compounds and metal ions.
Concept Study for Competitive Power Generation from Chemical Looping Combustion of Natural Gas
Authors: Zerobin Florian , Bertsch Otmar , Penthor Stefan , Pröll Tobias
Published: June 2016

Chemical looping combustion (CLC) offers the possibility for efficient fuel conversion with inherent CO2 capture and is expected to significantly reduce the energy penalty associated with CO2 capture processes. Feasibility of the concept has been shown and studied thoroughly in lab experiments whereas the potential for power generation on a large scale will depend on the process configuration. Two different scenarios for competitive power generation from atmospheric pressure CLC of natural gas have been assessed in this study using process simulation. Process design is shown and discussed based on net electric efficiencies.
THE FEASIBILITY OF USING “PREMIESTART,” A MOTHER–PREMATURE INFANT INTERACTION PROGRAM, ON A NEONATAL UNIT IN ENGLAND
Authors: Dibley Alexandra L. , Rydin‐Orwin Tracy , Stedmon Jacqui , Dallos Rudi
Published: June 2016

This article explores the feasibility of running “PremieStart,” a nine‐individual‐session maternal–premature infant interaction program, within a neonatal unit (NNU) in England. Four mothers of premature infants completed seven sessions on the NNU and two at home. Mothers and NNU staff provided feedback on PremieStart. Measures of maternal–infant relationship, maternal well‐being, and maternal reflective functioning were completed before and after intervention. Thematic analysis of mothers’ feedback highlighted the emotional, but cathartic, experience of engaging with PremieStart. NNU staff feedback indicated the need to include them more in PremieStart. Both mothers and staff were supportive of future implementation of PremieStart and highlighted the ongoing need for psychological support on the NNU. PremieStart was implemented with positive feedback from mothers and staff, with support shown for the continued use of PremieStart in the NNU. However, for future implementation, the self‐report outcome measures need reviewing, and more involvement of fathers and NNU staff is needed. In addition, a larger sample with a control group should be utilized.
Immune response genes receptors expression and polymorphisms in relation to multiple sclerosis susceptibility and response to INF‐β therapy
Authors: Karam Rehab A. , Rezk Noha A. , Amer Mona M. , Fathy Hala A.
Published: June 2016

Interferon (IFN)‐β is one of the disease modifying drugs used in the treatment of multiple sclerosis. A predictive marker that indicates good or poor response to the treatment is highly desirable. We aimed to investigate the relation between the immune response genes receptors (IFNAR1, IFNAR2, and CCR5) expression and their polymorhic variants and multiple sclerosis (MS) susceptibility as well as the response to IFN‐β therapy. The immune response genes receptors expression and genotyping were analyzed in 80 patients with MS, treated with IFN‐β and in 110 healthy controls. There was a significant decrease of IFNAR1 and IFNAR2 mRNA expression and a significant increase of CCR5 mRNA expression in MS patients compared with the control group. Also, the level of IFNAR1, IFNAR2, and CCR5 mRNA expression was found to be significantly lower in the responders than nonresponders. Carriers of IFNAR1 18417 C/C genotype and C allele had an increased risk of developing MS. There was a significant relation between CCR5 Δ32 allele and IFN‐β treatment response in MS patients. Our results highlighted the significance of IFNAR and CCR5 genes in multiple sclerosis risk and the response to IFN‐β therapy. © 2016 IUBMB Life, 68(9):727–734, 2016
Mediterranean Diet and Hip Fracture in Swedish Men and Women
Authors: Byberg Liisa , Bellavia Andrea , Larsson Susanna C , Orsini Nicola , Wolk Alicja , Michaëlsson Karl
Published: June 2016

A Mediterranean diet, known to have beneficial effects on cardiovascular health, may also influence the risk of hip fracture although previous studies present discrepant results. We therefore aimed to determine whether the rate of hip fracture was associated with degree of adherence to a Mediterranean diet. We combined two Swedish cohort studies consisting of 37,903 men and 33,403 women (total n = 71,333, mean age 60 years) free of previous cardiovascular disease and cancer who answered a medical and a food-frequency questionnaire in 1997. A modified Mediterranean diet score (mMED; range, 0 to 8 points) was created based on high consumption of fruits and vegetables, legumes and nuts, whole grains, fermented dairy products, fish, and olive/rapeseed oil, moderate intake of alcohol, and low intake of red and processed meat. Incident hip fractures between January 1, 1998, and December 31, 2012, were retrieved from the National Patient Register. Hazard ratios (HRs) and 95% confidence intervals (CIs) adjusted for potential confounders were calculated using Cox proportional hazards regression. Differences in age at hip fracture were calculated using multivariable Laplace regression. During follow-up, 3175 hip fractures occurred at a median age of 73.3 years. One unit increase in the mMED was associated with 6% lower hip fracture rate (adjusted HR = 0.94; 95% CI, 0.92 to 0.96) and with a 3-month higher median age at hip fracture (50th percentile difference = 2.8 months; 95% CI, 1.4 to 4.2). Comparing the highest quintile of adherence to the mMED (6 to 8 points) with the lowest (0 to 2 points) conferred an adjusted HR of hip fracture of 0.78 (95% CI, 0.69 to 0.89) and a 12-month higher median age of hip fracture (50th percentile difference = 11.6 months; 95% CI, 4.2 to 19.0). Results were similar in men and women. We conclude that higher adherence to a Mediterranean-like diet is associated with lower risk of future hip fracture. © 2016 American Society for Bone and Mineral Research.
Development and Validation of Liquid Chromatography/Tandem Mass Spectrometry Analysis for Therapeutic Drug Monitoring of Risperidone and 9‐Hydroxyrisperidone in Pediatric Patients with Autism Spectrum Disorders
Authors: Vanwong Natchaya , Prommas Santirat , Puangpetch Apichaya , Hongkaew Yaowaluck , Nuntamool Nopadol , Nakorn Chalitpol Na , Ngamsamut Nattawat , Limsila Penkhae , Sukasem Chonlaphat
Published: June 2016

Background

Risperidone (RIS) is a widely used atypical antipsychotic drug. We developed and validated a sensitive and accurate LC‐MS/MS method, which requires a small‐volume of plasma and small‐volume injection for measurement of RIS levels in ASD pediatric patients. We also investigated the relationship between RIS levels and RIS dosages, including prolactin levels.

Method

Blood samples were processed by protein precipitation extraction. Only 1 μl of sample was injected. Plasma samples were separated on a C18 column (4.6 cm × 50 mm; 1.8 μm particle size). Detection was by MS‐MS with an analytical run time of 6 min.

Results

The inter‐day accuracy of RIS was 101.33–107.68% and 95.24–103.67% for 9‐OH‐RIS. The inter‐day precision of RIS was ≤7.27% CV and ≤7.41% CV for 9‐OH‐RIS. The extraction recovery of RIS and 9‐OH‐RIS were 95.01 ± 7.31–112.62 ± 7.50% and 90.27 ± 11.15–114.00 ± 10.35%, respectively. This method was applied in the therapeutic drug monitoring of ASD pediatric patients. Higher RIS dosage has a tendency to produce higher RIS plasma levels. The high RIS plasma levels have a tendency to produce hyperprolactinemia.

Conclusion

The determination of RIS in individual patients might be clinically useful for monitoring and prediction of treatment response.
Integrated Transcriptome Map Highlights Structural and Functional Aspects of the Normal Human Heart
Authors: Caracausi Maria , Piovesan Allison , Vitale Lorenza , Pelleri Maria Chiara
Published: June 2016

A systematic meta‐analysis of the available gene expression profiling datasets for the whole normal human heart generated a quantitative transcriptome reference map of this organ. Transcriptome Mapper (TRAM) software integrated 32 gene expression profile datasets from different sources returning a reference value of expression for each of the 43,360 known, mapped transcripts assayed by any of the experimental platforms used in this regard. Main findings include the visualization at the gene and chromosomal levels of the classical description of the basic histology and physiology of the heart, the identification of suitable housekeeping reference genes, the analysis of stoichiometry of gene products, and the focusing on chromosome 21 genes, which are present in one excess copy in Down syndrome subjects, presenting cardiovascular defects in 30–40% of cases. Independent in vitro validation showed an excellent correlation coefficient (r = 0.98) with the in silico data. Remarkably, heart/non‐cardiac tissue expression ratio may also be used to anticipate that effects of mutations will most probably affect or not the heart. The quantitative reference global portrait of gene expression in the whole normal human heart illustrates the structural and functional aspects of the whole organ and is a general model to understand the mechanisms underlying heart pathophysiology. J. Cell. Physiol. 232: 759–770, 2017. © 2016 Wiley Periodicals, Inc.
Splitting of magnetic dipole modes in anisotropic TiO2 micro‐spheres
Authors: Khromova Irina , Kužel Petr , Brener Igal , Reno John L. , Chung Seu U‐Chan , Elissalde Catherine , Maglione Mario , Mounaix Patrick , Mitrofanov Oleg
Published: June 2016

Monocrystalline titanium dioxide (TiO2) micro‐spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii m through near‐field time‐domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub‐wavelength aperture probe, we found that the magnetic dipole resonances in TiO2 spheres have narrow linewidths of only tens of gigahertz. Anisotropic TiO2 micro‐resonators can be used to enhance the interplay of magnetic and electric dipole resonances in the emerging THz all‐dielectric metamaterial technology.

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The gap between clinically assessed physical performance and objective physical activity in liver transplant candidates
Authors: Dunn Michael A. , Josbeno Deborah A. , Schmotzer Amy R. , Tevar Amit D. , DiMartini Andrea F. , Landsittel Douglas P. , Delitto Anthony
Published: June 2016

Frailty with sarcopenia in cirrhosis causes liver transplant wait‐list attrition and deaths. Regular physical activity is needed to protect patients with cirrhosis from frailty. We subjectively assess physical performance in selecting patients for transplant listing, but we do not know whether clinical assessments reflect the extent of activity patients actually perform. To investigate this question, 53 wait‐listed patients self‐assessed their performance of ordinary physical tasks using the Rosow‐Breslau survey, and clinicians assessed their physical performance status with the Karnofsky index. We compared these assessments with actual activity measured using an accelerometer/thermal sensing armband worn from 4 to 7 days. We found that their measured activity was among the lowest reported in chronic disease, similar to that of patients with advanced chronic pulmonary disease or renal failure. Their percentages of waking hours spent in sedentary, light, and moderate‐vigorous activity were 75.9% ± 18.9%, 18.9% ± 14.3%, and 4.9% ± 6.9%, respectively. Higher mean sedentary and lower mean moderate‐vigorous activity was significantly associated with 9 wait‐list deaths (P = 0.004). Compared with a range of 7000‐13,000 steps/day in healthy adults, patients' mean steps/day were 3164 ± 2842. Both their activity percentage and step data were typical of other severely inactive populations. Neither their Rosow‐Breslau scores (mean 2.3 ± 0.8, maximum 3.0) nor their Karnofsky scores (mean 79 ± 12, maximum 100) suggested major impairment or showed a correlation with patients' actual physical performance. In conclusion, physical activity in patients with cirrhosis wait‐listed for transplantation is highly sedentary. Self‐assessments and provider assessments of physical activity do not reliably indicate actual performance. Whether the gap between assessed and actual performance may be favorably modified by interventions to improve activity and ameliorate frailty merits further study. Liver Transplantation 22 1324–1332 2016 AASLD.
Effect of Ta on the electrochemical behavior of new TiMoZrTa alloys in artificial physiological solution simulating in vitro inflammatory conditions
Authors: Bălţatu S. , Vizureanu P. , Mareci D. , Burtan L. C. , Chiruţă C. , Trincă L. C.
Published: June 2016

The present study explores the microstructural characteristics and electrochemical responses of different TiMoZrTa alloys designed for biomedical implantation. The alloys corrosion resistance (potentiodynamic polarization and electrochemical impedance spectroscopy) was determined in acidified Ringer's solution at 37 °C. The pH was adjusted to 3.6 in order to reproduce the pathological state. The new materials formed spontaneously a passivation oxide film on their surface, and they remained stable for polarizations up to +1.0 VSCE. No evidence of localized breakdown of the oxide layers was registered even when higher positive polarizations than those encountered in the human body were applied.
The effect of droplet size on the localized corrosion of high‐strength aluminum alloys
Authors: Knight S. P. , Sudholz A. D. , Butler A. , Palanisamy S. , Dargusch M.S. , Trueman A.R.
Published: June 2016

It was hypothesized that with decreasing droplet size the corrosion “type” would be more selective as the limiting cathodic current was reduced, and intergranular corrosion (IGC) would be more dominant than pitting corrosion. Droplets of 0.6 M sodium chloride solution ranging from 0.5 to 10.0 mm diameter were placed on the ends of pins machined in the three orthogonal directions of plate. Corrosion type and volume were measured using X‐ray tomography. For AA7075‐T651, normal to the short‐transverse direction there was mostly pitting observed for all droplet sizes and IGC for droplet sizes 0.5–4.0 mm, and normal to the long‐transverse there was IGC observed for all droplet sizes and pitting for droplet sizes 3.0–10.0 mm. For AA2024‐T351, both IGC and pitting corrosion were observed for all droplet sizes. The cathodic current density increased by approximately an order of magnitude with decreasing droplet diameter below approximately 2.0 mm. However, current density remained linear with respect to the inverse of the droplet diameter, which suggests an upper critical droplet size that makes cathodic diffusion‐limited oxygen current density independent of the droplet size was not observed.
Hierarchically Structured Poly(alkyl‐p‐xylylene) Nonwovens with Superhydrophobic Properties
Authors: Paulus Ilka E. , Moss Tobias , Greiner Andreas
Published: June 2016

Hierarchically structured poly(alkyl‐p‐xylylene) (alkyl‐PPX) nonwovens are prepared by specific parameter variation during the electrospinning process. The investigated parameters are changes in solutions properties and ambient humidity level, which lead to the formation of different fiber architectures and surface morphologies. The characterization of the nonwovens by scanning electron microscopy confirms the formation of hierarchically structured fibers, comprising bead‐on‐string architecture if spun from tetra­hydrofuran (THF) solutions, and porous surfaces at relative humidity (RH) levels > 30% for both chloroform and THF solutions. The wetting properties of nonwovens spun from THF and chloroform solutions are analyzed by water contact angle (CA) measurements, roll‐angle determination, and high speed imaging. PPX‐heptyl and PPX‐butyl fiber mats spun from 2.5 wt% THF and PPX‐heptyl spun from 3 wt% chloroform solutions at RH > 75% show superhydrophobic and self‐cleaning properties with CA > 153° and roll‐off angles of 10–15°. The nonwovens maintain their fiber morphology and water‐repellent properties after thermal and mechanical stress.

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Wilkinson power divider‐based cmos quasi‐circulator for single‐antenna radar systems
Authors: Wang Sen , Wu Yen‐Bin
Published: June 2016

This letter presents lumped Wilkinson power divider (WPD)‐based quasi‐circulator (QC) for single‐antenna radar system applications at K‐band. The design incorporating a power amplifier (PA), a WPD, and a low‐noise amplifier (LNA), acts as a QC. All the circuits are designed and implemented in a standard 0.18‐μm CMOS process. The two amplifiers both adopt negative feedback to increase their circuit stability, and the PA uses a PMOS transistor for gate bias to improve its linearity. Moreover, the lumped WPD not only achieves compact size but also maintains excellent isolation and low loss. The overall performances can be also evaluated easily by the subcircuits. The proposed design features greater than 29.5‐dB isolation between TX and RX, and achieves 4.1‐dB and 7.8‐dB transmission gain from TX to ANT and ANT to RX, respectively. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2065–2068, 2016
Photonic UP‐convertion of carrierless amplitude phase signals for wireless communications on the KA‐band
Authors: Rodriguez Sebastian , Puerta Rafael , Kim Hoon , Vegas Olmos Juan J. , Tafur Monroy Idelfonso
Published: June 2016

In this letter, the viability of wireless transmission of carrierless amplitude/phase (CAP) CAP modulation signals using photonic up‐conversion with two free‐running lasers is experimentally demonstrated. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2068–2070, 2016
Compact meandered‐shape electromagnetic bandgap structure using in a microstrip array antenna application
Authors: Toolabi Mohammad , Sadeghzadeh R.A. , Nasser‐Moghadasi Mohammad
Published: June 2016

In this letter, a novel spiral shape for electromagnetic bandgap structure (EBG) is presented for array structure. By implementation of the spiral formation, the inductance of the EBG unit cell will be increased and the unit cells are compacted around 36% for 3.6 GHz in comparison to conventional EBG unit cells. The prototype model of unit cells is used for 2 × 2 element microstrip patch array antenna with slot feed for improving the radiation gain of the antenna by reducing the mutual coupling effect of the antenna. Suppression of surface waves using EBG has improved the gain about 1.2 dB. Finally, an antenna prototype was fabricated and tested. Good agreement between simulation and measurement is obtained that verified the performance of the proposed structure. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2084–2088, 2016
Wide to multiband reconfigurable antenna
Authors: Idris I. H. , Hamid M. R. , Kamardin K. , Rahim M. K. A.
Published: June 2016

A wideband antenna fed by a coplanar waveguide (CPW) with reconfigurable function is presented. The wideband function is achieved from 1.39 GHz to 8.11 GHz using an elliptical radiator with a CPW feed line. Meanwhile, three pairs of slot dipoles which are fed by CPW are used to achieve triple‐band function at 2.4 GHz, 3.5 GHz and 5.2 GHz. Four ideal switches are placed on the proposed antenna. The proposed antenna is designed, simulated, fabricated and tested. All simulated and measured results of return loss, radiation pattern and gain are presented. Good results of return loss and radiation pattern are obtained thus verifying that the proposed antenna is suitable for future multimode radio systems. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2079–2082, 2016
Terahertz substrateless transmitarray antenna design and microfabrication
Authors: Liu Guang , Wang Hongjian , Jiang Jingshan , Xue Fei
Published: June 2016

A terahertz substrateless transmitarray antenna using four layers of slot type elements is presented. Because the element contains no dielectric substrate, reflection loss on the surface of dielectric and transmission loss in the dielectric could be effectively avoided at terahertz band. A terahertz transmitarray antenna working at 340 GHz is designed and fabricated by photolithography technique and electroplating processes. DRIE process and wet anisotropic etching technique were used to remove the substrate. The measured directivity of the antenna prototype is 34.9 dB, and half power beam width (HPBW) of E‐plane and H‐plane are 3.3° and 3.4°, respectively. The measured sidelobe level is below −22 dB. The measured results show that good radiation characteristics are achieved by the proposed design and microfabrication processes. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2096–2100, 2016
A novel lumped‐parameter model of crosstalk between vias in high‐speed PCBS
Authors: Cheng Weichang , Xu Shen , Yu Juzheng , Sun Weifeng
Published: June 2016

The method for lumped‐parameter via crosstalk (LPVC) model development is proposed in this letter. Good agreement between the full‐wave modeling and the physics‐based via simulation has been achieved in frequency‐domain. This model is easier to construct and allows researchers to better understand the impact of each parameter on crosstalk between via than former models. Analysis results show that, both power/ground (P/G) geometry and via distance have significant influences on crosstalk between vias on high‐speed printed circuit board (PCB). © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2088–2090, 2016
S‐ and C‐band modified PIFAs in MIMO arrangement on cylindrical ground plane
Authors: Hall Tavis , Sharma Satish K.
Published: June 2016

An omni‐directional antenna in multiple input multiple output (MIMO) arrangement is presented that covers S‐band (2.3–2.5 GHz) and C‐band (4.4–5.1 GHz) wireless communication applications. One pair of modified PIFA‐like radiating structures is used for each of the two bands. These elements are placed on a cylindrical ground plane with bents which is cut from a cylindrical conducting surface to accommodate a device which has a unique shape. Simulated and measured MIMO parameters such as the total active reflection coefficient (TARC), envelope correlation coefficient (ECC), mean effective gain (MEG), and channel capacity loss (Closs) are computed and presented. Performance results are very satisfactory for a MIMO antenna. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2137–2143, 2016
Small end‐fire superdirective folded meandered monopole antenna array
Authors: Hammoud Mohamad , Haskou Abdullah , Sharaiha Ala , Collardey Sylvain
Published: June 2016

In this letter, we present a compact four‐element superdirective antenna array operating at 900MHz frequency band. In this antenna, only one element is excited while the others are parasitic‐loaded elements. The antenna total dimensions are 231 × 122 mm2 and it has a total directivity of 11.6dBi and radiation efficiency of 46%. This antenna is significantly compact compared with others presenting the same directivity. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2122–2124, 2016
A high‐efficiency gan power amplifier with harmonic control based on Si‐IPDS
Authors: Jin An Sung , Min Yook Jong , Woong Yoon Tae , Kim Hyeok , Chul Kim Jun , Yook Jong‐Gwan , Park Youngcheol , Kim Dongsu
Published: June 2016

This article presents a high‐efficiency power amplifier using quasi‐MMIC technology. The efficiency enhancement is achieved based upon the second or third harmonic control provided by input and output matching networks. The gate‐source voltage waveform control with Class‐F operation achieves significant efficiency improvements. The quasi‐MMIC technology using silicon‐integrated passive devices (Si‐IPDs) can drive the solution to provide compact size at 2.4 GHz. The output matching network for Class‐F operation is described, using lumped elements to reduce circuit size. The dimensions of the fabricated power amplifier are 3.6 mm × 7.6 mm, with a thickness of 0.15 mm. The measured results show that the power amplifier has a small signal gain of about 10 dB and a Psat of 41.8 dBm with a maximum drain efficiency of 70.8% at 2.4 GHz. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2178–2182, 2016
Ultrathin plasmonic frequency selective surface with subwavelength hole arrays
Authors: Zhang Lirong , Wu Shanshan , Xu Kaida , Yan Shuang , Zhu Jinfeng , Lin Timothy , Huo Liu Qing
Published: June 2016

Manipulation of optical transmission using plasmonic nanostructures is a significant issue in applications related to ultra‐compact optoelectronic devices. In this paper, we present a type of plasmonic frequency selective surface constructed with an ultrathin gold film (∼20 nm) with arrays of subwavelength holes. By means of modified nanosphere lithography, we fabricate the nanostructured gold films with scalable sizes and tunable transmission in the visible and near‐infrared range. Moreover, electromagnetic simulations are performed and demonstrate good agreement with experimental results and further reveal the evolution of optical properties from the optically thick film to the ultrathin film. The research achievements will provide significant design guidance of ultrathin plasmonic frequency selective surface for future nanophotonic devices. © 2016 Wiley Periodicals, Inc. Microwave Opt Technol Lett 58:2171–2176, 2016