bluuebunny/crossref_metadata_2025 huggingface dataset:
Improvements in sleep‐related symptoms after endoscopic sinus surgery in patients with chronic rhinosinusitis
Authors: El Rassi Edward , Mace Jess C. , Steele Toby O. , Alt Jeremiah A. , Smith Timothy L.
Published: December 2015

Background

Sleep impairment is highly prevalent in patients with chronic rhinosinusitis (CRS). Although endoscopic sinus surgery (ESS) has been shown to improve overall patient‐reported sleep quality, the postoperative impact on individual sleep symptoms remains unclear.

Methods

Patients with medically‐recalcitrant CRS who elected to undergo ESS were prospectively enrolled into a multi‐institutional, observational cohort study. Sleep‐related symptom severity and treatment outcomes were assessed using the sleep domain questions within the 22‐item Sino‐Nasal Outcome Test (SNOT‐22).

Results

A total of 334 participants met criteria and were followed postoperatively for an average of 14.5 ± 4.9 months (mean ± standard deviation [SD]). Mean SNOT‐22 sleep domain scores improved from 13.7 ± 6.8 to 7.7 ± 6.6 (p < 0.001). Significant mean relative improvements were reported for “difficulty falling asleep” (45%; p < 0.001), “waking up at night” (40%; p < 0.001), “lack of a good night's sleep” (43%; p < 0.001), “waking up tired” (40%; p < 0.001), and “fatigue” (42%; p < 0.001) scores. A total of 66% of study participants reported postoperative improvement in “lack of a good night's sleep,” “waking up tired,” and “fatigue”; 62% reported improvement in “waking up at night”; and 58% reported improvement in “difficulty falling asleep.”

Conclusion

Patients with CRS report significant and sustained improvements following ESS in common sleep‐related symptoms as assessed by the SNOT‐22 sleep domain. Despite these significant improvements, some degree of persistent postoperative sleep impairment was reported. Further study is necessary to determine what factors are associated with continued sleep dysfunction after sinus surgery.
Fabrication of mPEGylated graphene oxide/poly(2‐dimethyl aminoethyl methacrylate) nanohybrids and their primary application for small interfering RNA delivery
Authors: Sun Yu , Zhou Junhui , Cheng Qiang , Lin Daoshu , Jiang Qian , Dong Anjie , Liang Zicai , Deng Liandong
Published: December 2015

Graphene oxide (GO)‐based nanohybrids were designed for small interfering RNA (siRNA) delivery for their high water dispensability, good biocompatibility, easily tunable surface functionalization, and particular optical properties. In this study, novel nanohybrids based on GO were fabricated. Methoxypoly(ethylene glycol) (mPEG) was covalently conjugated to GO via amide bonds. Then, poly(2‐dimethyl aminoethyl methacrylate) (PDMAEMA), which was synthesized via reversible addition–fragmentation chain transfer polymerization (RAFT) with 2‐(dodecyl thiocarbonothioyl thio)‐2‐methyl propionic acid (DTM) as the RAFT agent, was attached onto GO via physical interaction between DTM and GO. Compared with Lipofectamine 2000, the novel mPEG–GO/PDMAEMA nanohybrids showed comparable gene transfection efficiency and a low cytotoxicity. Moreover, the mPEG–GO/PDMAEMA nanohybrids showed enhanced optical properties compared to the original GO because of the presence of mPEG and PDMAEMA. Our work encouraged further exploration of the novel nanovector for combined photothermal and siRNA delivery. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43303.
Nasal Septal Deviation and Facial Skeletal Asymmetries
Authors: Hartman Christopher , Holton Nathan , Miller Steven , Yokley Todd , Marshall Steven , Srinivasan Sreedevi , Southard Thomas
Published: December 2015

During ontogeny, the nasal septum exerts a morphogenetic influence on the surrounding facial skeleton. While the influence of the septum is well established in long snouted animal models, its role in human facial growth is less clear. If the septum is a facial growth center in humans, we would predict that deviated septal growth would be associated with facial skeletal asymmetries. Using computed tomographic (CT) scans of n = 55 adult subjects, the purpose of this study was to test whether there is a correlation between septal deviation and facial asymmetries using three‐dimensional (3D) geometric morphometric techniques. We calculated deviation as a percentage of septal volume relative to the volume of a modeled non‐deviated septum. We then recorded skeletal landmarks representing the nasal, palatal, and lateral facial regions. Landmark data were superimposed using Procrustes analysis. First, we examined the correlation between nasal septal deviation and the overall magnitude of asymmetry. Next, we assessed whether there was a relationship between nasal septal deviation and more localized aspects of asymmetry using multivariate regression analysis. Our results indicate that while there was no correlation between septal deviation and the overall magnitude of asymmetry, septal deviation was associated with asymmetry primarily in the nasal floor and the palatal region. Septal deviation was unassociated with asymmetries in the lateral facial skeleton. Though we did not test the causal relationship between nasal septal deviation and facial asymmetry, our results suggest that the nasal septum may have an influence on patterns of adult facial form. Anat Rec, 299:295–306, 2016. © 2016 Wiley Periodicals, Inc.
The Course of Bone Marrow Edema in Early Undifferentiated Arthritis and Rheumatoid Arthritis: A Longitudinal Magnetic Resonance Imaging Study at Bone Level
Authors: Nieuwenhuis Wouter P. , van Steenbergen Hanna W. , Stomp Wouter , Stijnen Theo , Huizinga Tom W. J. , Bloem Johan L. , van der Heijde Désirée , Reijnierse Monique , van der Helm‐van Mil Annette H. M.
Published: December 2015

Objective

In patients with rheumatoid arthritis (RA), bone marrow edema (BME) scores are associated with development of erosions. However, little is known about the course and outcome of BME at bone level. We undertook this study to determine the association of BME and synovitis with the development of erosions in the same bone longitudinally.

Methods

Using 1.5T magnetic resonance imaging at baseline and at 4‐ and 12‐month follow‐up, we studied 1,947 bones of the metacarpophalangeal, wrist, and metatarsophalangeal joints in 59 patients presenting with RA or undifferentiated arthritis. Scanning and scoring of BME, synovitis, and erosions were performed according to the Outcome Measures in Rheumatology Rheumatoid Arthritis Magnetic Resonance Imaging Scoring system. We evaluated the relationship of the course of BME and synovitis with erosive progression at bone level during 1 year.

Results

Of the bones showing BME at baseline (n = 203), BME persisted in 56%, disappeared in 39%, and disappeared and then reappeared in 5%. Stratified analyses at baseline revealed that BME was associated with erosive progression both in the presence and in the absence of local synovitis, with odds ratios (ORs) of 7.5 (95% confidence interval [95% CI] 3.8–14.9) and 6.9 (95% CI 1.9–25.6), respectively. However, local synovitis was not associated with erosive progression in the presence or in the absence of BME (ORs of 2.0 [95% CI 0.6–7.0] and 1.9 [95% CI 0.8–4.1], respectively). In multivariable generalized estimating equation analyses, persistent BME was strongly associated with erosive progression (OR 60.5 [95% CI 16.8–218.1]) in contrast to persistent synovitis (OR 1.3 [95% CI 0.4–4.4]).

Conclusion

BME frequently persists during the first year. Persistent BME was strongly associated with erosive progression in the same bone, independently of local synovitis. No independent association was observed for persistent synovitis. These findings are relevant for comprehending the development of erosions in RA.
Associations Between Spondyloarthritis Features and Magnetic Resonance Imaging Findings: A Cross‐Sectional Analysis of 1,020 Patients With Persistent Low Back Pain
Authors: Arnbak Bodil , Grethe Jurik Anne , Hørslev‐Petersen Kim , Hendricks Oliver , Hermansen Louise Thuesen , Loft Anne Gitte , Østergaard Mikkel , Pedersen Susanne Juhl , Zejden Anna , Egund Niels , Holst René , Manniche Claus , Jensen Tue Secher
Published: December 2015

Objective

The Assessment of SpondyloArthritis international Society (ASAS) has previously published criteria for spondyloarthritis (SpA). In the Spines of Southern Denmark cohort, which included patients with persistent low back pain and an unknown proportion of patients with SpA, our objectives were 1) to estimate the prevalence of magnetic resonance imaging (MRI) findings and clinical features included in the ASAS criteria for SpA and 2) to explore the associations between MRI findings and clinical features.

Methods

We included patients ages 18–40 years with persistent low back pain who had been referred to the Spine Centre of Southern Denmark. We collected information on clinical features (including HLA–B27 and high‐sensitivity C‐reactive protein) and MRI findings in the spine and sacroiliac (SI) joints.

Results

Of 1,020 included patients, 537 (53%) had at least 1 of the clinical features included in the ASAS criteria for SpA. Three clinical features were common—inflammatory back pain according to the ASAS criteria, a good response to nonsteroidal antiinflammatory drugs (NSAIDs), and family history of SpA. The prevalence of these features ranged from 15% to 17%. Sacroiliitis on MRI according to the ASAS definition was present in 217 patients (21%). Of those 217 patients, 91 (42%) had the minimum amount of bone marrow edema required according to the ASAS definition (a low bone marrow edema score). The presence of HLA–B27, peripheral arthritis, a good response to NSAIDs, and preceding infection were independently positively associated with MRI findings in the SI joints (odds ratios [ORs] of 1.9–9.0). The remaining 8 clinical features were not positively associated with MRI findings. Importantly, only age was independently associated with low bone marrow edema score at the SI joints (OR of 1.1 per year).

Conclusion

In this population, 53% had at least 1 clinical feature included in the ASAS criteria for SpA, and 21% had sacroiliitis according to the ASAS definition; furthermore, the associations between the clinical and imaging domains were inconsistent. The results indicate a need for further investigation of the importance of these findings in SpA, including investigation of the minimum requirements for defining sacroiliitis on MRI.
Urban traffic flow prediction: a spatio‐temporal variable selection‐based approach
Authors: Xu Yanyan , Chen Hui , Kong Qing‐Jie , Zhai Xi , Liu Yuncai
Published: December 2015

Short‐term traffic flow prediction in urban area remains a difficult yet important problem in intelligent transportation systems. Current spatio‐temporal‐based urban traffic flow prediction techniques trend aims to discover the relationship between adjacent upstream and downstream road segments using specific models, while in this paper, we advocate to exploit the spatial and temporal information from all available road segments in a partial road network. However, the available traffic states can be high dimensional for high‐density road networks. Therefore, we propose a spatio‐temporal variable selection‐based support vector regression (VS‐SVR) model fed with the high‐dimensional traffic data collected from all available road segments. Our prediction model can be presented as a two‐stage framework. In the first stage, we employ the multivariate adaptive regression splines model to select a set of predictors most related to the target one from the high‐dimensional spatio‐temporal variables, and different weights are assigned to the selected predictors. In the second stage, the kernel learning method, support vector regression, is trained on the weighted variables. The experimental results on the real‐world traffic volume collected from a sub‐area of Shanghai, China, demonstrate that the proposed spatio‐temporal VS‐SVR model outperforms the state‐of‐the‐art. Copyright © 2015 John Wiley & Sons, Ltd.
Zur Anwendung der rotierenden Scheibenelektrode beim Studium nachgelagerter quasiautokatalytischer Reaktionen zweiter Ordnung
Authors: Haberland D. , Landsberg R.
Published: December 2015

Der Einfluß einer nachgelagerten, den Depolarisator autokatalytisch regenerierenden chemischen Reaktion zweiter Ordnung auf die Rührabhängigkeit der polarografischen Grenzstromdichte an einer rotierenden Platinscheibenelektrode wird experimentell verfolgt und das entsprechende Differentialgleichungssystem näherungsweise gelöst.

Die für das System J2/J−/JO3− ermittelte Geschwindigkeitskonstante stimmt gut mit dem aus der Literatur bekannten Wert überein.
Die Viskosität des Polyäthylenphthalates und seiner Anisol‐ und Nitrobenzollösungen über den gesamten Konzentrations‐ und Temperaturbereich. Der behindert‐ und freiflüssige Zustand
Authors: Ueberreiter K. , Buhlke D.
Published: December 2015

In einem sehr kleinen Kugelfallviskosimeter wurden die Viskositäten vom Polyäthylenphthalat‐Polyester und seiner Lösungen in Anisol und Nitrobenzol im Grundmolverhältnis 1/10, 1/8, 1/4, 1/3, 1/2, 1/1, 1/0,5 und 1/0,2 über den gesamten Temperaturbereich gemessen. Die Beschreibung der Meßwerte nach der sog. Vogel‐Gleichung

ergab die Möglichkeit zur Definition zweier flüssiger Zustände: des behindert‐ und freiflüssigen Zustandes Für den letzteren gilt T0 = 0 und freies Volumen vf(T0) = 0, für den ersteren T0 · 0 und vf(T0) · 0. Beim reinen Lösungsmittel Anisol konnten zwei behindertflüssige Zustände, bei den Lösungen infolge der Meßbereichsbeschränkung nur einer festgestellt werden. Die Übergangstemperaturen lassen sich aus der Annahme einer Additivität der freien Volumina berechnen. Die Werte des effektiven kritischen Platzwechselvolumens sind im Bereich der freien Flüssigkeit größer als in dem der behinderten.
Synthesis and photophysical studies of tetrazolate‐based Eu(III) photoluminescent ternary complexes containing N‐heterocyclic phosphine oxides auxiliary co‐ligands
Authors: Mal Suraj , Pietraszkiewicz Marek , Pietraszkiewicz Oksana
Published: December 2015

Two new ternary tetrazolate Eu(III) complexes with phosphine oxide co‐ligands Eu(PTO)3·(P1/P2) [PTO = 5‐(2‐pyridyl‐1‐oxide)tetrazole, P1 = diphenylphosphorylamino‐phenylphosphoryl‐benzene, P2 = diphenylphosphorylpyridine)‐bis‐isobutyricphosphoryl] were synthesized and characterized using UV, fluorescence, IR and 1H NMR spectroscopic techniques. The analytical data prove that the complexes are mononuclear in nature and the central Eu(III) ion is coordinated by three N and three O atoms of tetrazolate, and two O atoms of the corresponding bidentate phosphine oxide ligands. The ancillary ligand increased the photoluminescence efficiency of Eu(PTO)3·P1 (complex 3) by twofold compared with our previously reported Eu(PTO)3 complex (complex 1). Copyright © 2015 John Wiley & Sons, Ltd.
Synthesis of a Benzene‐containing C1‐Phosphonate Analogue of UDP‐GlcNAc for the Inhibition of O‐GlcNAc Transferase
Authors: Im Jungkyun
Published: December 2015

I report here the design, synthesis, and biological evaluation of a new C1‐phosphonate analogue of UDP‐GlcNAc as a potential inhibitor of OGT, an enzyme responsible for O‐GlcNAc modification. The analogue was designed to mimic the transition state of the natural donor involved in the enzymatic reaction. However, the analogue showed somehow low activity as an inhibitor of OGT.
Computational Studies on the Reaction from Silyl 1,4‐Dilithio 1,3‐butadiene to Lithio Silole
Authors: Kim Chang Kon , Mohammed Ahmed A. K. , Wee Eugene , Sohn Chang Kook , Kim Chan Kyung
Published: December 2015

The reaction mechanisms forming lithio silole, 2, from silyl 1,4‐dilithio 1,3‐butadiene, 1, were examined theoretically at the CCSD/6‐31+G(d)//B3LYP/6‐31+G(d) level of theory in the gas phase. To account for the solvent effects, the reactions in diethyl ether were examined using the polarizable continuum model of the integral equation formalism (IEFPCM) with the united atom topological (UA0) cavity model at the IEFPCM‐CCSD/6‐31+G(d)//IEFPCM‐B3LYP/6‐31+G(d) level of theory. Without hexamethyl‐phosphoramide (HMPA) as a cosolvent, the lithio silole, 2, was not produced due to the higher activation barrier, which is comparable to the homolytic cleavage of CC and/or CS bonds. On the other hand, the reaction could be feasible if HMPA solvates strongly or dissociates two Li+ cations from the reaction system. This suggests that HMPA plays a decisive role in the reaction. The optimized structures of the stationary point species on the potential energy surfaces in diethyl ether were similar to those in the gas phase, suggesting that the solvent effects on the structures of stationary species were not so large. On the other hand, the values in diethyl ether showed larger changes from the corresponding values in the gas phase.
Popes convict dead Pope Twice! The unbelievable Cadaver Synod
Authors: Bilal Muhammad , Tubbs R. Shane
Published: December 2015

In 897, the 9‐month‐old corpse of the late Pope Formosus stood trial by the reigning pontiff, Stephen VII. Stephen VII convicted Formosus, sentenced the cadaveric Pope to have three fingers of his right hand amputated and then had him buried in a common grave. This posthumous trial raised theological and sacramental debates and created an outrage in Rome that became the cause of Stephen VII's swift downfall. Pope Formosus joins other notable historical figures such as St. Thomas Becket and John Wycliffe who were tried and punished after death. Clin. Anat. 29:140–143, 2016. © 2015 Wiley Periodicals, Inc.
Peptides Targeting EGF Block the EGF–EGFR Interaction
Authors: Guardiola Salvador , Díaz‐Lobo Mireia , Seco Jesús , García Jesús , Nevola Laura , Giralt Ernest
Published: December 2015

Epidermal growth factor receptor (EGFR) is a key target in chemotherapy. Some drugs acting on the receptor are currently in use; however, drug resistance, which causes tumour relapse, calls for the discovery of alternative inhibitors. Using docking and receptor hotspot mimicry, we have designed novel peptides directed at EGF, the main growth factor ligand of EGFR. An array of biophysical techniques was used to characterise the structure and interaction of these ligands with the target protein. Both design methods identified peptides able to bind EGF, and the capacity of these peptides to inhibit the interaction between EGF and EGFR was demonstrated in two in vitro systems. Based on targeting the smaller companion of a protein–protein interaction, the new approach described herein can be envisaged as a parallel drug design strategy, and our compounds represent the first in a new class of binders that could serve as complementary compounds in potential multidrug cancer therapy.
ChemInform Abstract: Crystal Structure of CdSO4(H2O): A Redetermination.
Authors: Theppitak Chatphorn , Chainok Kittipong
Published: December 2015

Crystals CdSO4(H2O) are hydrothermally grown from an aqueous solution of equimolar amounts of CdSO4·8/3H2O and 3,6‐di‐2‐pyridyl‐1,2,4,5‐tetrazine (autoclave, 356 K, 5 d).
ChemInform Abstract: Synthesis, Structures, and Properties of Two Magnesium Silicate Fluorides Mg5(SiO4)2F2 and Mg3SiO4F2.
Authors: Zhen Ni , Wu Kui , Li Qiang , Pan Shilie , Gao Wenhui , Yang Zhihua
Published: December 2015

Mg5(SiO4)2F2 (I) and Mg3SiO4F2 (II) are prepared by solid state reaction of appropriate mixtures of MgO, MgF2, and SiO2 (evacuated silica tubes, 950 °C, 30 h; cooling to 300 °C at a rate of 2 °C/h).
ChemInform Abstract: Synthesis, Crystal and Electronic Structure, and Optical Property of the Pentanary Chalcohalide Ba3KSb4S9Cl.
Authors: Zhao Hua‐Jun , Liu Peng‐Fei
Published: December 2015

The title compound is synthesized by solid state reaction of a stoichiometric mixture of KCl, Ba, Sb, and S (evacuated silica tube, 820 °C, 4 d).
ChemInform Abstract: From a Germylene to an “Inorganic Adamantane”: [{Ge4(μ‐O)2(μ‐OH)4}{W (CO)5}4]·4THF.
Authors: Kitschke Philipp , Mertens Lutz , Rueffer Tobias , Lang Heinrich , Auer Alexander A. , Mehring Michael
Published: December 2015

[{Ge4(μ‐O)2(μ‐OH)4}{W (CO)5}4]·4THF (I) is obtained from a THF solution of W(CO)6 which is given to a suspension of germanium(II) (2‐methoxyphenyl)methoxide (II) in THF (12 h).
ChemInform Abstract: Nickel‐Catalyzed Insertion of Alkynes and Electron‐Deficient Olefins into Unactivated sp3 C—H Bonds.
Authors: Maity Soham , Agasti Soumitra , Earsad Arif Mahammad , Hazra Avijit , Maiti Debabrata
Published: December 2015

Insertion of a wide variety of alkynes and electron‐deficient olefins into sp3 C‐H bonds of pivalic acid amides and related substrates provides the corresponding mono‐ and bis alkylated products.
ChemInform Abstract: Rh(II)‐Catalyzed Reactions of Diazoesters with Organozinc Reagents.
Authors: Panish Robert , Selvaraj Ramajeyam , Fox Joseph M.
Published: December 2015

Diazoesters react with diorganozinc reagents by two distinct, catalyst‐dependent mechanisms.
ChemInform Abstract: Copper‐Catalyzed C—C Bond‐Forming Transformation of CO2 to Alcohol Oxidation Level: Selective Synthesis of Homoallylic Alcohols from Allenes, CO2, and Hydrosilanes.
Authors: Tani Yosuke , Kuga Kazunari , Fujihara Tetsuaki , Terao Jun , Tsuji Yasushi
Published: December 2015

Reaction and work‐up conditions for the regioselective transformation of various 1‐substituted, 1,1‐ and 1,3‐disubstituted allenes with carbon dioxide to homoallyl alcohol derivatives are developed which tolerate numerous functional groups.
ChemInform Abstract: Phosphine‐Free NiBr2‐Catalyzed Synthesis of Unsymmetrical Diaryl Ketones via Carbonylative Cross‐Coupling of Aryl Iodides with Ph3SnX (X: Cl, OEt).
Authors: Iranpoor Nasser , Firouzabadi Habib , Etemadi‐Davan Elham
Published: December 2015

Ph3SnCl and Ph3SnOEt are introduced as a new source of phenyl nucleophiles in the carbonylative Stille cross‐coupling reaction with aryl iodides to give unsymmetrical diaryl ketones.
ChemInform Abstract: Heck Reactions Catalyzed by Ultrasmall and Uniform Pd Nanoparticles Supported on Polyaniline.
Authors: Yu Lei , Huang Yaping , Wei Zheng , Ding Yuanhua , Su Chenliang , Xu Qing
Published: December 2015

The ligand‐free and heterogeneous catalyst is environmentally friendly and shows ultrahigh catalytic activity in Heck cross‐coupling reactions under mild reaction conditions.
ChemInform Abstract: A Family of Low Molecular‐Weight, Organic Catalysts for Reductive C—C Bond Formation.
Authors: Shaaban Saad , Jolit Anais , Petkova Desislava , Maulide Nuno
Published: December 2015

4‐Aminomorpholine is established as a versatile catalyst for the 2‐arylation of 5‐membered heterocycles, the α‐arylation of aryl and alkyl ketone derivatives as well as the arylation of quinone which are each performed using aryldiazonium salts as the arene source.
ChemInform Abstract: Nano‐Copper Catalyzed Highly Regioselective Synthesis of 2,4‐Disubstituted Pyrroles from Terminal Alkynes and Isocyanides.
Authors: Tiwari Dipak Kumar , Pogula Jaya , Sridhar B. , Tiwari Dharmendra Kumar , Likhar Pravin R.
Published: December 2015

The copper‐catalyzed cycloaddition of aromatic alkynes (I) with 2‐isocyanoacetate (II) leads to 4‐aryl‐1H‐pyrrole‐2‐carboxylates (III).
ChemInform Abstract: Synthesis of (Arylamido)pyrrolidinone Libraries Through Ritter‐Type Cascade Reactions of Dihydroxylactams.
Authors: Wu Peng , Petersen Michael Aaxman , Petersen Rico , Rasmussen Martin Ohsten , Bonnet Karine , Nielsen Thomas E. , Clausen Mads H.
Published: December 2015

The Ritter‐type reaction of arylnitriles and N‐acyliminium ions, generated in situ from dihydroxy‐γ‐lactams gives tetrahydropyrrolooxazolones in excellent yields.
ChemInform Abstract: Synthesis of New 2,3‐Disubstituted 4‐Chloro‐1‐hydroxyindoles.
Authors: Park Yeon Kyeong , Kim Hyejin , Kim Dong Sun , Cho Hyunsung , Moon Aree , Jeong Choonsik , Yoon Hye‐Ran , Lee Sang Hyup
Published: December 2015

Title compounds (VII) are prepared by reaction of conjugate nitro ketoester (V) with various thiol and alcohol nucleophiles by the action of stannous chloride dihydrate through the unique processes of reduction of nitro group, intramolecular condensation, and addition of nucleophiles in one pot, to provide multisubstituted 1‐hydroxyindoles.
ChemInform Abstract: Rhodium(III)‐Catalyzed Oxidative Bicyclization of 4‐Arylbut‐3‐yn‐1‐amines with Internal Alkynes Through C—H Functionalization.
Authors: Pi Rui , Zhou Ming‐Bo , Yang Yuan , Gao Cai , Song Ren‐Jie , Li Jin‐Heng
Published: December 2015

A new Rh‐catalyzed reaction of 4‐arylbut‐3‐yn‐1‐amines (I) with symmetrically 1,2‐disubstituted acetylenes (II) gives rise to cross‐bicyclization products (III), whilst the use of unsymmetrically disubstituted alkynes (IV) leads to a mixture of regioisomers (V) and (VI).
ChemInform Abstract: Synthesis of Amathaspiramides by Aminocyanation of Enoates.
Authors: O'Connor Matthew , Sun Chunrui , Lee Daesung
Published: December 2015

The utility of this method is demonstrated in the synthesis of compound (IX), an intermediate in the synthesis of amathaspiramides A‐F.
ChemInform Abstract: Direct Azidation of Allylic/Benzylic Alcohols and Ethers Followed by the Click Reaction: One‐Pot Synthesis of 1,2,3‐Triazoles and 1,2,3‐Triazole Moiety Embedded Macrocycles.
Authors: Babu Naveen Srinivasarao Arulananda , Aslam Nayyar Ahmad , Sandhu Akshey , Singh Dharmendra Kumar , Rana Ameet
Published: December 2015

The method is applied in the construction of triazole moieties in macrocycles, e.
ChemInform Abstract: Expedient Access to 2,3‐Dihydropyridines from Unsaturated Oximes by Rh(III)‐Catalyzed C—H Activation.
Authors: Romanov‐Michailidis Fedor , Sedillo Kassandra F. , Neely Jamie M. , Rovis Tomislav
Published: December 2015

The cyclocondensation of α,β‐unsaturated O‐Piv‐substituted oximes with 1,1‐disubstituted alkenes proceeds in the presence of a cationic Rh(III)‐precatalyst.
ChemInform Abstract: A Catalyst‐Free, One‐Pot, Three‐Component Approach for the Synthesis of 2‐[1‐Aryl‐2‐(azaaryl)ethyl]malononitriles via sp3 C—H Activation of 2‐Methyl Azaarenes.
Authors: Kumar Nandigama Satish , Rao L. Chandrasekhara , JagadeeshBabu N. , Dileep Kumar V. , Murthy U. S. N. , Meshram H. M.
Published: December 2015

Some of the title compounds, e.g. (IV), (VI), and (IX) are identified as potent antibacterial agents.
ChemInform Abstract: Ring Transformations of 2‐Hydroxy‐(4‐chloro‐5H‐1,2,3‐dithiazol‐5‐ylideneamino)arenes.
Authors: Kalogirou Andreas S. , Michaelidou Sophia S. , Koyioni Maria , Koutentis Panayiotis A.
Published: December 2015

The thermolysis of pyridinol (I) leads to oxazolo[5,4‐b]pyridine‐2‐carbonitrile (II), whilst the treatment with a base gives oxazine (III).
ChemInform Abstract: Development of a Practical Synthesis of 7‐Bromo‐8‐methoxycarbonyl‐3,3‐dimethyl‐3,4‐dihydro‐1H‐quinoxalin‐2‐one.
Authors: Kudo Kazuhiro , Honda Takahiro , Yamamoto Noriyoshi
Published: December 2015

An optimized four‐step synthesis for the title compound (VII) is presented.
ChemInform Abstract: Synthesis of Functionalized Benzoxazines by Copper‐Catalyzed C(sp3)—H Bond Functionalization of Acetonitrile with Olefinic Amides.
Authors: Chu Xue‐Qiang , Xu Xiao‐Ping , Meng Hua , Ji Shun‐Jun
Published: December 2015

Various benzoxazine derivatives are synthesized by a new copper‐mediated oxycyanomethylation reaction of olefinic amides with acetonitrile.
ChemInform Abstract: Isolation and Characterization of Secondary Metabolites from Rhododendron microphyton.
Authors: Zhu Ya‐Zhu , Li Yan‐Hong , Liu Dan , Gao Ling‐Huan , Li Hong‐Mei , Li Rong‐Tao
Published: December 2015

Four new iridoids, incarvoids D‐F, (I)‐(III), incarvoid B 9‐O‐β‐D‐glucopyranoside (V), and one new monoterpenoid, argutoid B (V) are isolated together with 14 known compounds.
ChemInform Abstract: Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.
Authors: Sai Chun‐Mei , Li Da‐Hong , Xue Chun‐Mei , Wang Kai‐Bo , Hu Ping , Pei Yue‐Hu , Bai Jiao , Jing Yong‐Kui , Li Zhan‐Lin , Hua Hui‐Ming
Published: December 2015

Diastereoisomeric alkaloid dimers are isolated from the aerial parts of Macleaya cordata.
ChemInform Abstract: Total Synthesis of the Proposed Structure of Pestalotioprolide A.
Authors: Tadpetch Kwanruthai , Jeanmard Laksamee , Rukachaisirikul Vatcharin
Published: December 2015

An asymmetric total synthesis of (I) is performed starting from D‐(+)‐gluconic acid δ‐lactone via Yamaguchi esterification and ring‐closing metathesis as the key steps.
ChemInform Abstract: Recent Progress in Luminescence Tuning of Ce3+ and Eu2+‐Activated Phosphors for pc‐WLEDs
Authors: Li Guogang , Tian Ying , Zhao Yun , Lin Jun
Published: December 2015

Review: tuning strategies such as doping level control, cationic and/or anionic substitutions, crystal‐site engineering, or mixing of nanophases; 177 refs.
ChemInform Abstract: Recent Advances in Energy Transfer in Bulk and Nanoscale Luminescent Materials: From Spectroscopy to Applications
Authors: Liu Xiaofeng , Qiu Jianrong
Published: December 2015

Review: 309 refs.
ChemInform Abstract: Small Molecules that Promote Regenerative Repair for Pancreatic and Cardiovascular Health
Authors: Menhaji‐Klotz Elnaz , Price David A.
Published: December 2015

Review: [50 refs.
ChemInform Abstract: Thermochemical Conversion of Lignin to Functional Materials: A Review and Future Directions
Authors: Liu Wu‐Jun , Jiang Hong , Yu Han‐Qing
Published: December 2015

Review: 208 refs.
Multi‐layered simulations at the heart of workflow enactment on clouds
Authors: Ostermann Simon , Kecskemeti Gabor , Prodan Radu
Published: December 2015

Scientific workflow systems face new challenges when supporting Cloud computing, as the information on the state of the used infrastructures is much less detailed than before. Thus, organising virtual infrastructures in a way that not only supports the workflow execution but also optimises it for several service level objectives (e.g. maximum energy consumption limit, cost, reliability, availability) become reliant on good Cloud modelling and prediction information. While simulators were successfully aiding research on such workflow management systems, the currently available Cloud related simulation toolkits suffer from several issues (e.g. scalability and narrow scope) that hinder their applicability. To address these issues, this article introduces techniques for unifying two existing simulation toolkits by first analysing the problems with the current simulators, and then by illustrating the problems faced by workflow systems. We use for this purpose the example of the ASKALON environment, a scientific workflow composition and execution tool for cloud and grid environments. We illustrate the advantages of a workflow system with directly integrated simulation back‐end and how the unification of the selected simulators does not affect the overall workflow execution simulation performance. Copyright © 2015 John Wiley & Sons, Ltd.
Reaction Mechanism of 3,4‐Dinitrofuroxan Formation from Glyoxime: Dehydrogenation and Cyclization of Oxime
Authors: Peng Ya‐Jing , Jiang Yan‐Xue , Peng Xie , Liu Jian‐Yong , Lai Wei‐Peng
Published: December 2015

The reaction pathway of the formation of 3,4‐dinitrofuroxan from glyoxime is theoretically investigated under experimental conditions with 25 % nitric acid and dinitrogentetroxide reagents to clarify the mechanism of formation of a furoxan ring by glyoxime. The geometric configurations of minima and transition‐state species are optimized at the (U)B3LYP/6‐311++G** level. The CCSD(T) and CASSCF(10e,8o)/CASSCF(9e,8o) single‐point energy corrections at the same level are performed on top of the optimized geometries. A subsequent dynamic correlation by using NEVPT2/6‐311++G**‐level single‐point energy calculations based on the CASSCF results is also performed to obtain accurate energy values. The formation reaction is analyzed from two processes: glyoxime nitration and 3,4‐dinitroglyoxime (nitration product) oxidative cyclization. Calculation results indicate that the electrophilic substitution of nitronium ions from the protonated HNO3 and the abstraction of hydrogen ions by HNO3 molecules are requisites of glyoxime nitration. The formation of a furoxan ring from 3,4‐dinitroglyoxime involves two possible mechanisms: 1) oxydehydrogenation by NO2 molecules and the subsequent torsion of NO radical groups to form a ring and 2) the alternation of dehydrogenation and cyclization. The intermediates and transition states in both routes exhibit monoradical and diradical characteristics. Singlet and triplet reactions are considered for the diradical species. Results show that the singlet reaction mechanism is more favorable for cyclization than the triplet reaction. The formation of a furoxan ring from oxime is in accordance with the stepwise intermolecular dehydrogenation and intramolecular torsion to the ring.
Air‐Stable, Near‐ to Mid‐Infrared Emitting Solids of PbTe/CdTe Core–Shell Colloidal quantum dots
Authors: Protesescu Loredana , Zünd Tanja , Bodnarchuk Maryna I. , Kovalenko Maksym V.
Published: December 2015

Light emitters and detectors operating in the near‐ and mid‐infrared spectral regions are important to many applications, such as telecommunications, high‐resolution gas analysis, atmospheric pollution monitoring, medical diagnostics, and night vision. Various lead chalcogenides (binary, ternary, and quaternary alloys) in the form of quantum dots (QDs) or quantum wells provide narrow bandgap energies that cover the broad infrared region corresponding to wavelengths of 1–30 μm. Here, we report an inexpensive, all‐solution‐based synthesis strategy to thin‐film solids consisting of 5‐16 nm PbTe QDs encapsulated by CdTe shells. Colloidally synthesized PbTe QDs were first converted into core–shell PbTe/CdTe QDs, and then deposited as thin films. The subsequent fusion of the CdTe shells is achieved by ligand removal and annealing in the presence of CdCl2. Contrary to highly unstable bare PbTe QDs, PbTe/CdTe QD solids exhibit bright and stable near‐ to mid‐infrared emission at wavelengths of 1–3 μm, which is also retained upon prolonged storage at ambient conditions for one year.
Twist1 contributes to cranial bone initiation and dermal condensation by maintaining wnt signaling responsiveness
Authors: Goodnough L. Henry , Dinuoscio Gregg J. , Atit Radhika P.
Published: December 2015

Background: Specification of cranial bone and dermal fibroblast progenitors in the supraorbital arch mesenchyme is Wnt/β‐catenin signaling‐dependent. The mechanism underlying how these cells interpret instructive signaling cues and differentiate into these two lineages is unclear. Twist1 is a target of the Wnt/β‐catenin signaling pathway and is expressed in cranial bone and dermal lineages. Results: Here, we show that onset of Twist1 expression in the mouse cranial mesenchyme is dependent on ectodermal Wnts and mesenchymal β‐catenin activity. Conditional deletion of Twist1 in the supraorbital arch mesenchyme leads to cranial bone agenesis and hypoplastic dermis, as well as craniofacial malformation of eyes and palate. Twist1 is preferentially required for cranial bone lineage commitment by maintaining Wnt responsiveness. In the conditional absence of Twist1, the cranial dermis fails to condense and expand apically leading to extensive cranial dermal hypoplasia with few and undifferentiated hair follicles. Conclusions: Thus, Twist1, a target of canonical Wnt/β‐catenin signaling, also functions to maintain Wnt responsiveness and is a key effector for cranial bone fate selection and dermal condensation. Developmental Dynamics 245:144–156, 2016. © 2015 Wiley Periodicals, Inc.
Tuning of the HOMO–LUMO Gap of Symmetrical and Unsymmetrical Ferrocenyl‐Substituted Diketopyrrolopyrroles
Authors: Patil Yuvraj , Jadhav Thaksen , Dhokale Bhausaheb , Misra Rajneesh
Published: December 2015

Ferrocenyl‐substituted diketopyrrolopyrroles (DPPs) with the symmetrical π‐bridged donor–acceptor (D–π–A) frameworks D′–π–D–A–D–π–D′ and D′–A′–D–A–D–A′–D′ as well as unsymmetrical D–A–D–π–D′ and D–A–D–A′–D′ frameworks were designed and synthesized by a Pd‐catalyzed Sonogashira cross‐coupling reaction followed by a [2+2] cycloaddition–retroelectrocyclization reaction. The tetracyanobutadiene (TCBD) DPPs 7 and 8 have redshifted absorption bands and lower HOMO–LUMO gap values relative to those of ferrocenyl‐DPPs 5 and 6. The electronic absorption spectra show a systematic redshift in the intramolecular charge transfer (ICT) band from the ferrocene to the diketopyrrolopyrrole core. The photophysical, computational, and electrochemical properties were also investigated and show substantial donor–acceptor interactions between the ferrocene and DPP moieties. The symmetrical ferrocenyl‐DPPs have more thermal stability than the unsymmetrical derivatives.
Two molecular assays for the rapid and inexpensive detection of GJB2 and GJB6 mutations
Authors: Cascella Raffaella , Strafella Claudia , Gambardella Stefano , Longo Giuliana , Borgiani Paola , Sangiuolo Federica , Novelli Giuseppe , Giardina Emiliano
Published: December 2015

The hypoacusia can be classified in two clinical forms: Syndromic (SHL) and Nonsyndromic (NSHL). In particular, the NSHL describes the 70–80% of hypoacusia cases and it is mainly due to genetic factors, which are causative of the deafness at the birth. The genetic hypoacusia presents different inheritance patterns: autosomal dominant (20%), autosomal recessive (80%), X‐linked (1%), and mitochondrial (1%), respectively. To date, about 35 deafness‐causative genes have been identified and most of them codify for connexin transmembrane proteins. Approximately 1:2500 children with NSHL carries mutations in the GJB2 and GJB6 (13q12) genes, which code for connexin 26 (Cx26) and connexin 30 (Cx30), respectively. In the Caucasian population, the most common mutations are 35delG, M34T and 167delT, and D13S1830. Given the frequency distribution of the four mutations in the Caucasian population and the pathogenic connection with NSHL, the development of accurate, rapid, and “low‐cost” molecular assays should be strongly encouraged. To this purpose, we set up two different molecular assays (namely the Cx26 and Cx26‐30 molecular assays) for the fast and inexpensive detection of 35delG, M34T, 167delT, and D13S1830 mutations. Both the molecular approaches showed to be accurate, sensitive, reproducible, and “low‐cost” alternatives for the proper evaluation of the GJB2 and GJB6 genes, which are causative of NSHL. In conclusion, the Cx26 and Cx26‐30 molecular assays can be applied to individual, preconception, prenatal, or postnatal screening for the causative‐mutations of NSHL.
Microglia modulate respiratory rhythm generation and autoresuscitation
Authors: Lorea‐Hernández Jonathan‐Julio , Morales Teresa , Rivera‐Angulo Ana‐Julia , Alcantara‐Gonzalez David , Peña‐Ortega Fernando
Published: December 2015

Inflammation has been linked to the induction of apneas and Sudden Infant Death Syndrome, whereas proinflammatory mediators inhibit breathing when applied peripherally or directly into the CNS. Considering that peripheral inflammation can activate microglia in the CNS and that this cell type can directly release all proinflammatory mediators that modulate breathing, it is likely that microglia can modulate breathing generation. It might do so also in hypoxia, since microglia are sensitive to hypoxia, and peripheral proinflammatory conditions affect gasping generation and autoresuscitation. Here, we tested whether microglial activation or inhibition affected respiratory rhythm generation. By measuring breathing as well as the activity of the respiratory rhythm generator (the preBötzinger complex), we found that several microglial activators or inhibitors, applied intracisternally in vivo or in the recording bath in vitro, affect the generation of the respiratory rhythms both in normoxia and hypoxia. Furthermore, microglial activation with lipopolysaccharide affected the ability of the animals to autoresuscitate after hypoxic conditions, an effect that is blocked when lipopolysaccharide is co‐applied with the microglial inhibitor minocycline. Moreover, we found that the modulation of respiratory rhythm generation induced in vitro by microglial inhibitors was reproduced by microglial depletion. In conclusion, our data show that microglia can modulate respiratory rhythm generation and autoresuscitation. GLIA 2016;64:603–619
Effects of norepinephrine transporter gene variants on NET binding in ADHD and healthy controls investigated by PET
Authors: Sigurdardottir Helen L. , Kranz Georg S. , Rami‐Mark Christina , James Gregory M. , Vanicek Thomas , Gryglewski Gregor , Kautzky Alexander , Hienert Marius , Traub‐Weidinger Tatjana , Mitterhauser Markus , Wadsak Wolfgang , Hacker Marcus , Rujescu Dan , Kasper Siegfried , Lanzenberger Rupert
Published: December 2015

Attention deficit hyperactivity disorder (ADHD) is a heterogeneous disorder with a strong genetic component. The norepinephrine transporter (NET) is a key target for ADHD treatment and the NET gene has been of high interest as a possible modulator of ADHD pathophysiology. Therefore, we conducted an imaging genetics study to examine possible effects of single nucleotide polymorphisms (SNPs) within the NET gene on NET nondisplaceable binding potential (BPND) in patients with ADHD and healthy controls (HCs). Twenty adult patients with ADHD and 20 HCs underwent (S,S)‐[18F]FMeNER‐D2 positron emission tomography (PET) and were genotyped on a MassARRAY MALDI‐TOF platform using the Sequenom iPLEX assay. Linear mixed models analyses revealed a genotype‐dependent difference in NET BPND between groups in the thalamus and cerebellum. In the thalamus, a functional promoter SNP (−3081 A/T) and a 5′‐untranslated region (5′UTR) SNP (−182 T/C), showed higher binding in ADHD patients compared to HCs depending on the major allele. Furthermore, we detected an effect of genotype in HCs, with major allele carriers having lower binding. In contrast, for two 3′UTR SNPs (*269 T/C, *417 A/T), ADHD subjects had lower binding in the cerebellum compared to HCs depending on the major allele. Additionally, symptoms of hyperactivity and impulsivity correlated with NET BPND in the cerebellum depending on genotype. Symptoms correlated positively with cerebellar NET BPND for the major allele, while symptoms correlated negatively to NET BPND in minor allele carriers. Our findings support the role of genetic influence of the NE system on NET binding to be pertubated in ADHD. Hum Brain Mapp 37:884–895, 2016. © 2015 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.
Phasic and sustained brain responses in the amygdala and the bed nucleus of the stria terminalis during threat anticipation
Authors: Herrmann Martin J. , Boehme Stephanie , Becker Michael P.I. , Tupak Sara V. , Guhn Anne , Schmidt Brigitte , Brinkmann Leonie , Straube Thomas
Published: December 2015

Several lines of evidence suggest that the amygdala and the bed nucleus of the stria terminalis (BNST) are differentially involved in phasic and sustained fear. Even though, results from neuroimaging studies support this distinction, a specific effect of a temporal dissociation with phasic responses to onset versus sustained responses during prolonged states of threat anticipation has not been shown yet. To explore this issue, we investigated brain activation during anticipation of threat in 38 healthy participants by means of functional magnetic resonance imaging. Participants were presented different visual cues indicated the temporally unpredictable occurrence of a subsequent aversive or neutral stimulus. During the onset of aversive versus neutral anticipatory cues, results showed a differential phasic activation of amygdala, anterior cingulate cortex (ACC), and ventrolateral prefrontal cortex (PFC). In contrast, activation in the BNST and other brain regions, including insula, dorsolateral PFC, ACC, cuneus, posterior cingulate cortex, and periaqueductal grey was characterized by a sustained response during the threat versus neutral anticipation period. Analyses of functional connectivity showed phasic amygdala response as positively associated with activation, mainly in sensory cortex areas whereas sustained BNST activation was negatively associated with activation in visual cortex and positively correlated with activation in the insula and thalamus. These findings suggest that the amygdala is responsive to the onset of cues signaling the unpredictable occurrence of a potential threat while the BNST in concert with other areas is involved in sustained anxiety. Furthermore, the amygdala and BNST are characterized by distinctive connectivity patterns during threat anticipation. Hum Brain Mapp 37:1091–1102, 2016. © 2015 Wiley Periodicals, Inc.
In vivo MRI signatures of hippocampal subfield pathology in intractable epilepsy
Authors: Goubran Maged , Bernhardt Boris C. , Cantor‐Rivera Diego , Lau Jonathan C. , Blinston Charlotte , Hammond Robert R. , de Ribaupierre Sandrine , Burneo Jorge G. , Mirsattari Seyed M. , Steven David A. , Parrent Andrew G. , Bernasconi Andrea , Bernasconi Neda , Peters Terry M. , Khan Ali R.
Published: December 2015

Objectives

Our aim is to assess the subfield‐specific histopathological correlates of hippocampal volume and intensity changes (T1, T2) as well as diff!usion MRI markers in TLE, and investigate the efficacy of quantitative MRI measures in predicting histopathology in vivo.

Experimental Design

We correlated in vivo volumetry, T2 signal, quantitative T1 mapping, as well as diffusion MRI parameters with histological features of hippocampal sclerosis in a subfield‐specific manner. We made use of on an advanced co‐registration pipeline that provided a seamless integration of preoperative 3 T MRI with postoperative histopathological data, on which metrics of cell loss and gliosis were quantitatively assessed in CA1, CA2/3, and CA4/DG.

Principal Observations

MRI volumes across all subfields were positively correlated with neuronal density and size. Higher T2 intensity related to increased GFAP fraction in CA1, while quantitative T1 and diffusion MRI parameters showed negative correlations with neuronal density in CA4 and DG. Multiple linear regression analysis revealed that in vivo multiparametric MRI can predict neuronal loss in all the analyzed subfields with up to 90% accuracy.

Conclusion

Our results, based on an accurate co‐registration pipeline and a subfield‐specific analysis of MRI and histology, demonstrate the potential of MRI volumetry, diffusion, and quantitative T1 as accurate in vivo biomarkers of hippocampal pathology. Hum Brain Mapp 37:1103–1119, 2016. © 2015 Wiley Periodicals, Inc.
External validation of sTWEAK as a prognostic noninvasive biomarker for head and neck squamous cell carcinoma
Authors: Terra Ximena , Gómez David , García‐Lorenzo Jacinto , Flores Joan Carles , Figuerola Enric , Mora Josefina , Chacón Matilde R. , Quer Miquel , Camacho Mercedes , León Xavier , Avilés–Jurado Francesc Xavier
Published: December 2015

Background

The main purpose of this study was to validate the prognostic significance of tumor necrosis factor (TNF)‐like weak inducer of apoptosis (TWEAK) in head and neck squamous cell carcinoma (HNSCC) using an independent cohort.

Methods

Data were evaluated from 153 patients with HNSCC in stages III to IV, who received radiotherapy (RT) or chemoradiotherapy. We quantified soluble TWEAK (sTWEAK) in pretreatment samples using enzyme‐linked immunosorbent assay.

Results

The classification tree revealed a cutoff value of 322 pg/mL for sTWEAK to be ideal for discriminating between patients' disease control. Kaplan–Meier curves indicate that the disease‐free survival rate in patients with high sTWEAK was significantly higher than in patients with low levels (p = .006, log‐rank test). An independent link was identified between low sTWEAK and poor clinical outcome in Cox regression multivariate analysis (hazard ratio = 1.866; 95% confidence interval [CI] = 1.114–3.125; p = .001).

Conclusion

Our study highlights the significance of this noninvasive biomarker in the discrimination according to the disease control achieved by patients who received a nonsurgical organ‐preservation treatment. © 2015 Wiley Periodicals, Inc. Head Neck 38: E1358–E1363, 2016