bluuebunny/crossref_metadata_2025 huggingface dataset:
Distant pseudomeningoceles of the ventral skull base: a report of 2 cases
Authors: Lieberman Seth M. , Ojo Rosemary B. , Casiano Roy R.
Published: November 2013

Background

The objective of this case series was to report what is to the best of our knowledge the first reports of nasopharyngeal and soft palate pseudomeningoceles tracking submucosally from the sphenoid sinus.

Methods

Analysis of cases through medical records.

Results

Two cases of middle‐aged male patients presented to our tertiary care university teaching hospital for recurrent meningitis and a history of cerebrospinal fluid (CSF) rhinorrhea. Both were found to have pseudomeningoceles distant from the sphenoid sinus. One was tracking to the mucosa of the Eustachian tube, and the other to the dorsum of the soft palate. Both were found to be tracking submucosally from the sphenoid sinus, to the vidian canal, to the lateral nasopharyngeal wall, to their respective locations at the Eustachian tube and dorsum of the soft palate. CSF closure was performed with a transnasal endoscopic repair using the pedicled nasoseptal flap for 1 patient and Alloderm for the other, both with successful cessation of CSF rhinorrhea.

Conclusion

We present these cases of distant spontaneous CSF leaks. We review the literature and discuss case management.
Constitutive expression of vascular endothelial cell growth factor (VEGF) gene family ligand and receptors on human upper and lower airway epithelial cells
Authors: Lee Hyun Sil , Kim Jean
Published: November 2013

Background

We previously reported that vascular endothelial cell growth factor (VEGF) is abundantly expressed by primary human nasal epithelial cells (PNECs) and functions to promote cell hyperplasia in polyposis. Therefore, we aimed to examine the full expression profile of other members of the VEGF gene family of ligands and receptors, which may play a role in cell growth and the development of chronic rhinosinusitis with nasal polyposis (CRSwNP).

Methods

Messenger RNA (mRNA) and protein expression of VEGF genes, receptors, and co‐receptors was examined from cultured PNECs (n = 4) and compared to that from primary human bronchial epithelial cells (PBECs; n = 4) and the BEAS2B cell line (n = 4) by real‐time polymerase chain reaction (PCR) and flow cytometry.

Results

We report abundant expression of VEGFA, VEGFB, and VEGFC, detected by mRNA and flow cytometric analysis on PNECs. We herein report the novel finding that there is significant expression of VEGFR1, VEGFR2, VEGFR3, and both neuropilin co‐receptors, NP1 and NP2, at baseline conditions on PNECs. Lower airway PBECs and BEAS2B cells displayed similar patterns of expression.

Conclusion

PNECs express high constitutive levels of the VEGF gene family homolog of ligands and receptors. Expression of multiple VEGF ligand‐receptor combinations may function as redundant pathways to promote upper and lower airway epithelial cell growth during inflammation.
Fluctuations and quantum criticality in the two‐dimensional Bose Hubbard model
Authors: Duchon Eric , Trivedi Nandini
Published: November 2013

At a quantum phase transition, one ground state evolves into a different one by passing through a quantum critical region with enhanced spatial and temporal fluctuations. A method to map the quantum critical region using the single, local quantity R, the ratio of compressibility to local number fluctuations is proposed. R can be calculated from in situ experiments and also enables thermometry and phase diagnosis (for example whether superfluid or Mott insulating). The definition of R can be generalized to inhomogeneous systems and provides a powerful tool for experimentally mapping the finite temperature phase diagram demonstrated here for the two‐dimensional Bose Hubbard model.
Chemoselective Hydrogenation of Functionalized Nitroarenes and Imines by Using Carbon Nanofiber‐Supported Iridium Nanoparticles
Authors: Motoyama Yukihiro , Taguchi Masahiro , Desmira Nelfa , Yoon Seong‐Ho , Mochida Isao , Nagashima Hideo
Published: November 2013

The reaction of three types of carbon nanofibers (CNFs; platelet: CNF‐P, tubular: CNF‐T, herringbone: CNF‐H) with Ir4(CO)12 in mesitylene at 165 °C provided the corresponding CNF‐supported iridium nanoparticles, Ir/CNFs (Ir content=2.3–2.6 wt. %). Transmission electron microscopy (TEM) studies of these Ir/CNF samples revealed that size‐controlled Ir nanoparticles (average particle size of 1.1–1.5 nm) existed on the CNFs. Among the three Ir/CNF samples, Ir/CNF‐T showed an excellent catalytic activity and chemoselectivity towards hydrogenation of functionalized nitroarenes and imines; the corresponding aniline derivatives were obtained with high turnover numbers at ambient temperature under 10 atm of H2, and the catalyst is reusable. Ir/CNF‐T was also effective for the reductive N‐alkylation of anilines with carbonyl compounds.
Chemoenzymatic Routes to Polyoxygenated Cyclooctenones Related to the Eastern Hemisphere of the Macrolactam Tripartilactam
Authors: Vo Yen , Banwell Martin G. , Willis Anthony C.
Published: November 2013

Polyoxygenated cyclooctenones closely related to the enantiomeric form of the Eastern hemisphere of the structurally and biogenetically unusual macrolactam tripartilactam have been assembled from an enzymatically‐derived and homochiral cis‐1,2‐dihydrocatechol. Key steps include the oxidative cleavage of the chlorinated double bond within a derivative of the starting cis‐1,2‐dihydrocatechol and a ring‐closing metathesis reaction to establish the required eight‐membered ring.
Oricrete
Authors: van der Woerd Jan Dirk , Chudoba Rostislav , Scholzen Alexander , Hegger Josef
Published: November 2013

Der vorliegende Aufsatz stellt ein Konzept für den Entwurf und die Herstellung von gefalteten schalenförmigen Tragstrukturen aus zementbasierten Verbundwerkstoffen vor, das in Anlehnung an die japanische Papierfaltkunst Origami entwickelt wurde. Die räumlichen Tragstrukturen werden durch Faltung von ebenen Elementen mit vorgegebenen Faltlinien hergestellt. Ziel ist die Entwicklung einer Entwurfs‐ und Herstellmethodik für dünnwandige Faltwerke mit einfachen oder doppelt gekrümmten Geometrien, die als segmentierbare Hüll‐ und Konstruktionselemente mit optimierten mechanischen Eigenschaften eingesetzt werden können.

Wegen der hohen Variabilität der Formen und der großen Anzahl von Freiheitsgraden der Faltstrukturen ist eine Unterstützung mit numerischer Simulation in allen Phasen des Entwurfs und der Herstellung unabdingbar. Gegenüber der traditionellen Herstellung von Schalentragwerken mithilfe aufwendiger gekrümmter Schalungen verspricht die Methodik ein hohes Potenzial an Wirtschaftlichkeit. Insbesondere durch die Verwendung von modernen, zementbasierten Verbundwerkstoffen werden durch das Konzept neue Anwendungsfelder erschlossen, die sich durch geringen Materialverbrauch, einen hohen Ausnutzungsgrad des Werkstoffs sowie eine einfache systematische Herstellung auszeichnen.

Oricrete – design and manufacturing methodology for folded plate structures made of novel cementitious composites

The present paper shows an approach for the design and production of folded plate structures made out of novel cementious composite materials. The idea of the approach is derived from the Japanese art of paper folding, origami. The spatial structures are obtained by folding of planar elements provided with prescribed crease lines. The aim of the present work is the development of a design and manufacturing method for the production of free‐form structural members with optimized mechanical properties applicable as façade and load bearing segments.

Due to the high variability of forms and the large amount of degrees of freedom of the fold patterns, a support by numerical simulation in all phases of design and production is required. The method has a high potential to reduce the production costs compared to traditionally fabricated shell structures with complex curved formworks. New fields of application for cementious composite materials can be entered that are characterized by low material consumption, a high exploitation of the material and a systematic manufacturing process.
Stahlbetonbemessung mit Smartphone und Tablet
Authors: Botzet Patrick , Putke Thomas , Mark Peter
Published: November 2013

Die Leistungsfähigkeit von Smartphones und Tablet‐PCs wird stetig gesteigert und reicht mittlerweile in Teilen an die einfacher PCs heran. Gleichzeitig nimmt die weltweite Verbreitung mobiler Endgeräte zu, sodass in 2013 erstmals mehr Smartphones als Mobiltelefone verkauft werden. Die Idee, das Potenzial von Smartphones auch für den Bereich des Bauingenieurwesens nutzbar zu machen, führte zur Entwicklung der “Design of Concrete”‐Applikation (DoC‐App). Die Applikation wurde für das Betriebssystem Android programmiert und beinhaltet für Rechteck‐ und Plattenbalkenquerschnitte grundlegende Bemessungsaufgaben im Bereich des Stahlbetonbaus (Nachweis gegen Biege‐, Querkraft‐ und Torsionsversagen, Rissbreitennachweis). Die Nachweise werden nach aktueller Vorschrift DIN EN 1992‐1‐1 mit nationalem Anhang (NAD) geführt. Darüber hinaus ist ein Schnittgrößenrechner für Ein‐ und Zweifeldträger integriert. Das Hauptaugenmerk wurde auf die mobile und intuitive Anwendung gelegt, um zielgerichtet einfache Berechnungen durchführen zu können. Deshalb sind die Ein‐ und Ausgabeinformationen auf das Nötigste beschränkt. Darüber hinaus kann die Anwendung auch als mobiles Tabellenwerk für typische Bemessungsgrundlagen wie Expositionsklassen, Verankerungslängen, Betondeckung und Bewehrungsmengen dienen.

Sectional design of reinforced concrete for mobile applications

The performance of smartphones and tablet‐PCs grows rapidly. Today, it approximates the one of common desktop PCs. Simultaneously, the worldwide distribution of mobile devices increases daily and consequently in 2013, for the first time, more smartphones than mobile phones will be sold. Having the idea to use this potential in the field of civil engineering, the “Design of Concrete”‐Application (in short DoC‐App) has been developed. At the present time Android dominates the market for operating systems of smartphones. Hence, the application has been developed to run on Android only. It comprises the basic tasks in concrete designing (bending, shear and torsion failure as well as proof of crack width) for rectangular cross sections and T‐beams acc. to DIN EN 1992‐1‐1 (including the national appendix). Furthermore, internal forces of single‐ and double span beams can be calculated automatically. Priority is set on an intuitive and effective handling of the application. Therefore, in‐ and output data are limited to a minimum of information. In addition, the application can also be used as a mobile base of usual chart data like for exposure classes, anchoring lengths, concrete covers or amounts of reinforcement.
Bivariate cumulative probit model for the comparison of neuronal encoding hypotheses
Authors: Hillmann Julia , Kneib Thomas , Koepcke Lena , Juárez Paz León M. , Kretzberg Jutta
Published: November 2013

Understanding the way stimulus properties are encoded in the nerve cell responses of sensory organs is one of the fundamental scientific questions in neurosciences. Different neuronal coding hypotheses can be compared by use of an inverse procedure called stimulus reconstruction. Here, based on different attributes of experimentally recorded neuronal responses, the values of certain stimulus properties are estimated by statistical classification methods. Comparison of stimulus reconstruction results then allows to draw conclusions about relative importance of covariate features. Since many stimulus properties have a natural order and can therefore be considered as ordinal, we introduce a bivariate ordinal probit model to obtain classifications for the combination of light intensity and velocity of a visual dot pattern based on different covariates extracted from recorded spike trains. For parameter estimation, we develop a Bayesian Gibbs sampler and incorporate penalized splines to model nonlinear effects. We compare the classification performance of different individual cell covariates and simple features of groups of neurons and find that the combination of at least two covariates increases the classification performance significantly. Furthermore, we obtain a non‐linear effect for the first spike latency. The model is compared to a naïve Bayesian stimulus estimation method where it yields comparable misclassification rates for the given dataset. Hence, the bivariate ordinal probit model is shown to be a helpful tool for stimulus reconstruction particularly thanks to its flexibility with respect to the number of covariates as well as their scale and effect type.
A rapid and sensitive UPLC‐MS/MS method for quantification of two caffeoylquinic acids and four main active components in rat plasma after an intravenous administration of Qingkailing injection and its application to a pharmacokinetic study
Authors: Peng Long , Gao Xiaoyan , Song Yuelin , Zhao Longshan , Guo Mingxing , Su Jiankun , Zhang Li , Liu Haiyu
Published: November 2013

Qingkailing (QKL) injection, a modified modern Chinese medicine preparation, is widely used in the clinic for its significant antipyretic and anti‐inflammatory effects, but its serious adverse drug reactions have attracted more and more attention. Series of caffeoylquinic acids in QKL are widely suspected to be the allergens responsible for these adverse drug reactions. Therefore, pharmacokinetic studies of the caffeoylquinic acids are needed. In this paper, a simple, rapid and sensitive ultra‐performance liquid chromatography–tandem mass spectrometry method was developed for the simultaneous determination of chlorogenic acid, neochlorogenic acid, baicalin, geniposide, cholic acid and hyodeoxycholic acid in rat plasma. Chromatographic separation was achieved on a BEH C18 column by a gradient elution at a flow rate of 0.40 mL/min in only 6.0 min. All analytes were monitored by multiple reaction monitoring mode with negative electrospray ionization. The calibration curves of these analytes were all linear (r > 0.9978) over wide concentration ranges. The intra‐ and inter‐ day precisions (relative standard deviations) were within 14.3% and accuracy (relative error) ranged from −6.8 to 4.8%. The mean recoveries ranged from 74.5 to 105.6%. This validated method was successfully applied to the pharmacokinetic study of the six analytes in rats following an intravenous administration of QKL injection. Copyright © 2013 John Wiley & Sons, Ltd.
Mild Heterogeneous Palladium‐Catalyzed Cleavage of β‐O‐4′‐Ether Linkages of Lignin Model Compounds and Native Lignin in Air
Authors: Galkin Maxim V. , Sawadjoon Supaporn , Rohde Volker , Dawange Monali , Samec Joseph S. M.
Published: November 2013

A mild and robust heterogeneous palladium‐catalyzed CO bond cleavage of 2‐aryloxy‐1‐arylethanols using formic acid as reducing agent in air was developed. The cleaved products were isolated in 92–98 % yield; and by slightly varying the reaction conditions, a ketone, an alcohol, or an alkane can be generated in near‐quantitative yield. This reaction is applicable to cleaving the β‐O‐4′‐ether bond found in lignin polymers of different origin. The reaction was performed on a lignin polymer model to generate either the monomeric aryl ketone or alkane in a quantitative yield. Moderate depolymerization was achieved with native lignin at similar reaction conditions. Mechanistic studies under kinetic control indicate that an initial palladium‐catalyzed dehydrogenation of the alcohol is followed by insertion of palladium to an enol equivalent. A palladium–formato complex reductively cleaves the palladium–enolate complex to generate the ketone.
MenD from Bacillus subtilis: A Potent Catalyst for the Enantiocomplementary Asymmetric Synthesis of Functionalized α‐Hydroxy Ketones
Authors: Westphal Robert , Jansen Sascha , Vogel Constantin , Pleiss Jürgen , Müller Michael , Rother Dörte , Pohl Martina
Published: November 2013

The thiamine diphosphate‐dependent enzyme 2‐succinyl‐5‐enolpyruvyl‐6‐hydroxy‐3‐cyclohexene‐1‐carboxylate synthase (MenD) catalyzes a Stetter‐like 1,4‐addition of α‐ketoglutarate to isochorismate in the biosynthesis of menaquinone (vitamin K). Here, we describe the carboligation potential of MenD from Bacillus subtilis (BsMenD) for the nonphysiological 1,2‐addition of decarboxylated α‐ketoglutarate (succinylsemialdehyde) and various benzaldehyde derivatives. Furthermore, we engineer BsMenD variants for the enantiocomplementary asymmetric synthesis of functionalized α‐hydroxy ketones. Wild type BsMenD shows an excellent chemo‐ as well as high (R)‐selectivity for the carboligation of α‐ketoglutarate as the donor, and different benzaldehyde derivatives as acceptor yielding (R)‐α‐hydroxy ketones with up to >99 % ee. By engineering (S)‐selective BsMenD variants, based on the recently developed S‐pocket concept, we provide access to most of the corresponding (S)‐α‐hydroxy ketones with up to 98 % ee. In particular, benzaldehyde and meta‐substituted derivatives were converted with high enantioselectivities (ee of 91–98 % (S)). The significantly higher (S)‐selectivity of BsMenD variants than recently published MenD variants from Escherichia coli, could be attributed to a second‐shell residue next to the S‐pocket. A glycine residue, adjacent to the major S‐pocket residues I476 and F477 (standard numbering), is assumed to result in higher structural flexibility in the S‐pocket region of BsMenD, which in turn could result in improved stabilization of the antiparallel orientation of the acceptor.
Role of Dicarboxylate Linkers in MnIII‐Salicylaldoximate Based Extended Structures: Synthesis, Structures, and Magnetic Behavior
Authors: Mukherjee Sandip , Mukherjee Partha Sarathi
Published: November 2013

Four new oxo‐centered MnIII‐salicylaldoximate triangle‐based extended complexes [MnIII6O2(salox)6(EtOH)4(phda)]n⋅(saloxH2)n⋅(2H2O)n (1), [MnIII6O2(salox)6(MeOH)5(5‐I‐isoph)]n⋅(3 MeOH)n (2), [MnIII6O2(salox)6(MeOH)4(H2O) (5‐N3‐isoph)]n⋅(4 MeOH)n (3) and [MnIII3NaO(salox)3(MeOH)4(5‐NO2‐isoph)]n⋅(MeOH)n (H2O)n (4) [salox=salicylaldoximate, phda=1,3‐phenylenediacetate, isoph=isophthalate] have been synthesized under similar reaction conditions. Single crystal X‐ray structures show that in 1, only one type of Mn6 cluster is arranged in 1 D, whereas in 2 and 3 there are two types of clusters, differing in the way the triangle units are joined and assembled. In complex 4, however, the basic building structure is heteronuclear and based on Mn3 units extended in 2 D. Susceptibility measurements (dc and ac) over a wide range of temperatures and fields show that the complexes 1, 2, and 3 behave as single molecule magnets (SMMs) with S=4 ground state, while 4 is dominantly antiferromagnetic with a ground spin state S=2. Density functional theory calculations have been performed on model complexes to provide a qualitative theoretical interpretation for their overall magnetic behavior.
A Unified Strategy for the Synthesis of Mucin Cores 1–4 Saccharides and the Assembled Multivalent Glycopeptides
Authors: Pett Christian , Schorlemer Manuel , Westerlind Ulrika
Published: November 2013

By displaying different O‐glycans in a multivalent mode, mucin and mucin‐like glycoproteins are involved in a plethora of protein binding events. The understanding of the roles of the glycans and the identification of potential glycan binding proteins are major challenges. To enable future binding studies of mucin glycan and glycopeptide probes, a method that gives flexible and efficient access to all common mucin core‐glycosylated amino acids was developed. Based on a convergent synthesis strategy starting from a shared early stage intermediate by differentiation in the glycoside acceptor reactivity, a common disaccharide building block allows for the creation of extended glycosylated amino acids carrying the mucin type‐2 cores 1–4 saccharides. Formation of a phenyl‐sulfenyl‐N‐Troc (Troc=trichloroethoxycarbonyl) byproduct during N‐iodosuccinimide‐promoted thioglycoside couplings was further characterized and a new methodology for the removal of the Troc group is described. The obtained glycosylated 9‐fluorenylmethoxycarbonyl (Fmoc)‐protected amino acid building blocks are incorporated into peptides for multivalent glycan display.
ChemInform Abstract: Structural Characterization of Sr4Mg4H4[CoH5]3 Shows the Importance of Support from Polarizing Counter Ions to 3d Transition Metal Hydrido Complexes.
Authors: Fahlquist Henrik , Kadir Karim , Noreus Dag
Published: November 2013

The title compound is prepared by high‐pressure solid state reaction of a 4:1:2 mixture of SrH2, Co, and Mg2CoH5 (autoclave, 60 bar H2, 873 K, 12 h).
ChemInform Abstract: In situ Raman Spectroscopy and X‐Ray Diffraction of Pressure‐Induced Phase Transition in Columbite CaNb2O6.
Authors: Zhou Jing , Feng Guanlin , Li Liang , Huang Fengxian , Shen Hongzhi , Yang Hang , Wang Wenquan , Zhou Qiang , Xu Dapeng
Published: November 2013

Microcrystalline CaNb2O6 samples from a crushed crystal are used for in situ Raman spectroscopy and synchrotron XRD in a diamond anvil cell up to 23 GPa.
ChemInform Abstract: On the (Non‐)existence of Tutton Salts with Formula Types [M(H2O)6] (ClO4)2(H2O)2 and Na2M(SO4)2(H2O)6 (M Is a First‐Row Transition Metal).
Authors: Weil Matthias
Published: November 2013

The structures of two Tutton salts, originally reported to be [Cu(H2O)6] (ClO4)2(H2O)2 (I) and Na2Cu(SO4)2(H2O)6 (II), are redetermined based on the original intensity data.
ChemInform Abstract: Structural Reinvestigation of the Photoluminescent Complex [NdCl2(H2O)6]Cl.
Authors: Hsieh Kuan‐Ying , Bendeif El‐Eulmi , Pillet Sebastien , Doudouh Abdelatif , Schaniel Dominik , Woike Theo
Published: November 2013

The structure of the title compound is redetermined by single crystal XRD at 100 K (monoclinic, P2/n, Z = 2).
ChemInform Abstract: X‐Ray Crystallographic and First‐Principles Theoretical Studies of K2[TcOCl5] and UV/Vis Investigation of the [TcOCl5]2‐ and [TcOCl4]‐ Ions.
Authors: Johnstone Erik V. , Weck Philippe F. , Poineau Frederic , Kim Eunja , Forster Paul M. , Sattelberger Alfred P. , Czerwinski Kenneth R.
Published: November 2013

K2[TcOCl5] is isolated as green single crystals by dissolution of (NH4)TcO4 in 12 M HCl at 0 °C and precipitation with KCl.
ChemInform Abstract: A Hexanuclear Cobalt(II) Cluster Incorporated in a Banana‐Shaped Tungstovanadate: [(Co(OH2)Co2VW9O34)2 (VW6O26)]17‐.
Authors: Lv Hongjin , Song Jie , Geletii Yurii V. , Guo Weiwei , Bacsa John , Hill Craig L.
Published: November 2013

Na17 [(Co(OH2)Co2VW9O34)2 (VW6O26)]·31H2O (I) is synthesized from Na2WO4, Co(NO3)2, and V2O5 in acetate buffer solution (pH 4.8, 80 °C, 2 h, 24% yield).
ChemInform Abstract: Controlling Stereochemistry in Polyketide Synthesis: 1,3‐ vs. 1,2‐Asymmetric Induction in Methyl Ketone Aldol Additions to β‐Super Siloxy Aldehydes.
Authors: Brady Patrick B. , Albert Brian J. , Akakura Matsujiro , Yamamoto Hisashi
Published: November 2013

Super silyl (tris(trialkylsilyl)) groups are utilized as efficient stereo‐directing β‐oxygen protective groups in aldol reactions.
ChemInform Abstract: Asymmetric Ti‐Crossed Claisen Condensation: Application to Concise Asymmetric Total Synthesis of Alternaric Acid.
Authors: Nagase Ryohei , Oguni Yumiko , Ureshino Satoko , Mura Hiroaki , Misaki Tomonori , Tanabe Yoo
Published: November 2013

The first TiCl4‐mediated asymmetric crossed‐Claisen condensation is reported.
ChemInform Abstract: [Cp*RhCl2]2‐Catalyzed ortho‐C—H Bond Amination of Acetophenone o‐Methyloximes with Primary N‐Chloroalkylamines: Convenient Synthesis of N‐alkyl‐2‐acylanilines.
Authors: Ng Ka‐Ho , Zhou Zhongyuan , Yu Wing‐Yiu
Published: November 2013

The corresponding N‐chloroalkylamines (II) and (IV) are prepared in situ by reaction of the primary amines with N‐chlorosuccinimide.
ChemInform Abstract: Preparation and Palladium‐Mediated Cross‐Coupling of α‐Benzoyloxyalkylzinc Bromides.
Authors: Sakata Komei , Urabe Daisuke , Inoue Masayuki
Published: November 2013

Various benzylic and allylic alcohol derivatives are coupled with aryl or vinyl iodides under mild reaction conditions without an affect of polar functional groups.
ChemInform Abstract: Palladium‐Catalyzed Arylic/Allylic Aminations: Permutable Domino Sequences for the Synthesis of Dihydroquinolines from Morita—Baylis—Hillman Adducts.
Authors: Lorion Melanie M. , Gasperini Danila , Oble Julie , Poli Giovanni
Published: November 2013

A new pseudo domino sequence allows the synthesis of the title compounds.
ChemInform Abstract: Double Reformatsky Reaction: Divergent Synthesis of δ‐Hydroxy‐β‐ketoesters.
Authors: Mineno Masahiro , Sawai Yasuhiro , Kanno Kazuaki , Sawada Naotaka , Mizufune Hideya
Published: November 2013

The reaction of aldehydes and ketones with in situ generated zinc alkoxide tolerates a wide range of functional groups.
ChemInform Abstract: NHC‐Catalyzed O‐Selective Addition of Nitrosoarenes with Aldehydes.
Authors: Wang Gang , Chen Xia , Zhang Yi , Yao Weijun , Ma Cheng
Published: November 2013

A variety of O‐acyl hydroxylamines is generated without any amidation by‐products.
ChemInform Abstract: Silver‐Catalyzed Isocyanide‐Alkyne Cycloaddition: A General and Practical Method to Oligosubstituted Pyrroles.
Authors: Liu Jianquan , Fang Zhongxue , Zhang Qian , Liu Qun , Bi Xihe
Published: November 2013

Ag2CO3 is described as robust catalyst for the [3 + 2] cycloaddition of isocyanide and terminal or internal alkynes to provide 2,3‐disubstituted and 2,3,4‐trisubstituted pyrroles.
ChemInform Abstract: Synthesis of Indolines via Pd(II)‐Catalyzed Amination of C—H Bonds Using PhI(OAc)2 as the Bystanding Oxidant.
Authors: Mei Tian‐Sheng , Leow Dasheng , Xiao Han , Laforteza Brian N. , Yu Jin‐Quan
Published: November 2013

A novel protocol for the title synthesis via a palladium‐catalyzed C—H activation/cyclization sequence is developed.
ChemInform Abstract: Synthesis and in vitro Biological Evaluation of Novel 2‐Aminoimidazolone Derivatives as Antitumor Agents.
Authors: Xiao You‐An , Wang Zhi‐Qiang , Wang Xue‐Min , Hui Yi , Ling Yong , Wang Xin‐Yang , He Li‐Qin
Published: November 2013

Eleven new derivatives of 2‐aminoimidazolone are synthesized successfully.
ChemInform Abstract: Enantioselective Bromoaminocyclization of Allyl N‐Tosylcarbamates Catalyzed by a Chiral Phosphine—Sc(OTf)3 Complex.
Authors: Huang Deshun , Liu Xiaoqin , Li Lijun , Cai Yudong , Liu Weigang , Shi Yian
Published: November 2013

The reaction proceeds with excellent enantioselectivity, tolerates a wide range of functional groups and can be carried out on a gram scale.
ChemInform Abstract: A Click Chemistry Approach to 5,5′‐Disubstituted‐3,3′‐bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes.
Authors: Van der Peet Phillip L. , Connell Timothy U. , Gunawan Christian , White Jonathan M. , Donnelly Paul S. , Williams Spencer J.
Published: November 2013

Bisisoxazoles are prepared in one step by the dropwise addition of aqueous potassium hydrogen carbonate to a mixture of dichloroglyoxime and terminal alkynes.
ChemInform Abstract: A Facile Solvent‐Free One‐Pot Three‐Component Method for the Synthesis of 2‐Amino‐4H‐pyrans and Tetrahydro‐4H‐chromenes at Ambient Temperature.
Authors: Amirnejad Meysam , Naimi‐Jamal Mohammad Reza , Tourani Hesam , Ghafuri Hossein
Published: November 2013

A highly efficient, simple, and fast procedure for the synthesis of 2‐amino‐4H‐pyrans from 1,3‐dicarbonyls, aromatic aldehydes, and malonitrile under utilization of ball milling is presented.
ChemInform Abstract: Polystyrene‐Supported GaCl3 as a Highly Efficient and Reusable Heterogeneous Lewis Acid Catalyst for the Three‐Component Synthesis of Benzoxanthene Derivatives.
Authors: Rahmatpour Ali
Published: November 2013

A novel, general, mild, and eco‐friendly one‐pot method for the synthesis of the title compounds is presented including a simple work‐up procedure.
ChemInform Abstract: Benzimidazole‐Embedded N‐Fused Aza‐Indacenes: Synthesis and Deprotonation‐Assisted Optical Detection of Carbon Dioxide.
Authors: Ishida Masatoshi , Kim Pyosang , Choi Jiyoung , Yoon Juyoung , Kim Dongho , Sessler Jonathan L.
Published: November 2013

Title compounds (IV) and (VI) are prepared in low yields via a three component condensation of benzimidazole (I), trifluoroacetic acid (III), and either pyrrole (II) or indole (V), respectively.
ChemInform Abstract: Preparation of Pyridyl‐Substituted Monoazatriphenylenes.
Authors: Kopchuk D. S. , Zyryanov G. V. , Kovalev I. S. , Khasanov A. F. , Medvedevskikh A. S. , Rusinov V. L. , Chupakhin O. N.
Published: November 2013

An efficient method for the preparation of cycloalkene‐anellated derivatives of monoazatriphenylenes based on an aza‐Diels—Alder reaction of triazine (III) with 1‐morpholinocycloalkenes is presented.
ChemInform Abstract: Para Substituted Benzaldehydes as Expedient Reagents for the Oxidative Aromatization of Hydroquinoline.
Authors: Majumdar Poulomi , Pati Anita , Behera Rajani K. , Behera Ajaya Kumar
Published: November 2013

The reaction proceeds through an unprecedented hydride transfer from tetrahydroquinoline to arylaldehydes.
ChemInform Abstract: The Pseudo‐Michael Reaction of 1‐Aryl‐4,5‐dihydro‐1H‐imidazol‐2‐amines with Ethyl Ethoxymethylenecyanoacetate.
Authors: Kaczor Agnieszka A. , Kijkowska‐Murak Urszula , Pihlaja Kalevi , Sinkkonen Jari , Wysocki Waldemar , Karczmarzyk Zbigniew , Matosiuk Dariusz
Published: November 2013

The products (III) of the title reaction, on heating in acetic acid, undergo cyclization to 2,3‐imidazo[1,2a]pyrimidines (IV) only, whereas on melting, a mixture of compounds (IV) and (VI) is obtained due to transesterification during the chromatographic separation of the compounds (VI).
ChemInform Abstract: Synthesis and Biological Activity of Novel 3‐Heteroaryl‐2H‐pyrido[4,3‐e][1,2,4]thiadiazine and 3‐Heteroaryl‐2H‐benzo[e][1,2,4]thiadiazine 1,1‐Dioxides.
Authors: Gobis Katarzyna , Foks Henryk , Slawinski Jaroslw , Augustynowicz‐Kopec Ewa , Napiorkowska Agnieszka
Published: November 2013

Title compounds [(II), (V), and (VII)] are synthesized by cyclization of isolated or intermediate amidines, resp., and evaluated for their tuberculostatic and anticancer activities.
ChemInform Abstract: Synthesis of Some Novel Thieno[3,2‐d]pyrimidines as Potential Cytotoxic Small Molecules Against Breast Cancer.
Authors: Kandeel Manal , Abdelhameid Mohammed Kamal , Eman Kamal , Labib Madlen Berty
Published: November 2013

The design of the title compounds as small molecules with antitumor activity is based on DNA‐interchelating properties by hydrogen bond formation.
ChemInform Abstract: Synthesis of New Heterocyclic Rings Containing Benzothiazole Moiety.
Authors: Mohamed Khaled S. , Abdulaziz N. M. , Fadda A. A.
Published: November 2013

All products are purified by recrystallization.
ChemInform Abstract: Synthesis of Highly Regioselective Bifunctional Tricyclic Tetrazole‐1H‐benzo[b][1,4]diazepins.
Authors: Shaabani Ahmad , Hezarkhani Zeinab , Mofakham Hamid , Ng Seik Weng
Published: November 2013

Two different procedures are presented for the synthesis of the title compounds via a two‐step condensation sequence of o‐phenylenediamines or 2‐nitroanilines with 3‐oxobutanoate, isocyanides, and trimethylsilyl azide.
ChemInform Abstract: Multiferroics and Magnetoelectric Effects in Charge Ordered Compounds
Authors: Sun Young , Yan Li Qin , Cong Jun Zhuang
Published: November 2013

Review: 75 refs.
ChemInform Abstract: Green Synthesis of Thiazine and Oxazine Derivatives
Authors: Didwagh Sayaji S. , Piste Pravina B.
Published: November 2013

Review: 35 refs.
ChemInform Abstract: Reactive Intermediates in Catalytic Alkenylation; Pathways for Mizoroki—Heck, Oxidative Heck and Fujiwara—Moritani Reactions
Authors: Rauf Waqar , Brown John M.
Published: November 2013

Review: 66 refs.
ChemInform Abstract: Methods of Synthesis: 1,3,4‐Thiadiazole‐2‐thiones: A Review
Authors: Khatale Pravin N. , Sivakumar T. , Mahajan Niranjan S. , Kature D. V.
Published: November 2013

Review: 29 refs.
ChemInform Abstract: The Mukaiyama Aldol Reaction: 40 Years of Continuous Development
Authors: Matsuo Jun‐ichi , Murakami Masahiro
Published: November 2013

Review: 104 refs.
ChemInform Abstract: Biophysical Studies of the Amyloid β‐Peptide: Interactions with Metal Ions and Small Molecules
Authors: Waermlaender Sebastian , Tiiman Ann , Abelein Axel , Luo Jinghui , Jarvet Jyri , Soederberg Kajsa L. , Danielsson Jens , Graeslund Astrid
Published: November 2013

Review: 145 refs.
ChemInform Abstract: The Benzazole Scaffold: A SWAT to Combat Alzheimer′s Disease
Authors: Noel Sabrina , Cadet Sarah , Gras Emmanuel , Hureau Christelle
Published: November 2013

Review: 58 refs.
ChemInform Abstract: The First Chiral Raman Spectrum Report of a Protein: A Perspective of 20 Years
Authors: Ramirez Francisco J. , Nieto‐Ortega Belen , Casado Juan , Lopez Navarrete Juan T.
Published: November 2013

Review: 19 refs.
Prediction of CO2 Solubility in Polymers by Radial Basis Function Artificial Neural Network Based on Chaotic Self‐adaptive Particle Swarm Optimization and Fuzzy Clustering Method
Authors: Wu Yan , Liu Bingxiang , Li Mengshan , Tang Kezong , Wu Yubo
Published: November 2013

To replace costly and time‐consuming experimentation in laboratory, a novel solubility prediction model based on chaos theory, self‐adaptive particle swarm optimization (PSO), fuzzy c‐means clustering method, and radial basis function artificial neural network (RBF ANN) is proposed to predict CO2 solubility in polymers, hereafter called CSPSO‐FC RBF ANN. The premature convergence problem is overcome by modifying the conventional PSO using chaos theory and self‐adaptive inertia weight factor. Fuzzy c‐means clustering method is used to tune the hidden centers and radial basis function spreads. The modified PSO algorithm is employed to optimize the RBF ANN connection weights. Then, the proposed CSPSO‐FC RBF ANN is used to investigate solubility of CO2 in polystyrene (PS), polypropylene (PP), poly(butylene succinate) (PBS) and poly(butylene succinate‐co‐adipate) (PBSA), respectively. Results indicate that CSPSO‐FC RBF ANN is an effective method for gas solubility in polymers. In addition, compared with conventional RBF ANN and PSO ANN, CSPSO‐FC RBF ANN shows better performance. The values of average relative deviation (ARD), squared correlation coefficient (R2) and standard deviation (SD) are 0.1071, 0.9973 and 0.0108, respectively. Statistical data demonstrate that CSPSO‐FC RBF ANN has excellent prediction capability and high‐accuracy, and the correlation between prediction values and experimental data is good.
The Relationships Between BTEX, NOx, and O3 Concentrations in Urban Air in Gdansk and Gdynia, Poland
Authors: Marć Mariusz , Zabiegała Bożena , Simeonov Vasil , Namieśnik Jacek
Published: November 2013

This paper presents the results of atmospheric air quality research conducted in the areas of two shipyard cities: Gdansk and Gdynia (Poland), in the period between March and December 2011. The purpose of the research was focused on determination of benzene, toluene, ethylbenzene, and xylenes (BTEX) compounds in atmospheric air. Passive sampling technique, with Radiello® diffusive passive samplers, was used for BTEX sample collection from atmospheric air. The monthly average concentrations of BTEX compounds in the air surrounding the monitoring stations in Gdansk and Gdynia from March to December 2011 were as follows: benzene: 0.14–2.37 µg/m3, toluene: from 0.46 to 5.35 µg/m3, ethylbenzene: from 0.14 to 0.88 µg/m3, xylenes: from 0.67 to 3.02 µg/m3. Additionally, the results of the air quality assessment conducted in 2007–2011 in the monitored area are presented in relation to air concentrations of benzene (as a representative of BTEX compounds), nitrogen oxides, and tropospheric ozone. Based on the relationship between benzene concentration and nitrogen oxides concentration, the influence of the aforementioned chemicals on tropospheric ozone concentration was estimated in the urban area of Tricity by using data from Gdansk and Gdynia.
Semi‐automatic color analysis for brand logos
Authors: Bartneck Christoph , Clark Adrian
Published: November 2013

Brand logos are essential for companies and their design is at the heart of graphic design. In a global market, the number of competing logos has grown exponentially. We present a software tool that helps designers to semi‐automatically analyze large sets of graphics. The results of the color analysis help designers to make informed choices for their designs. We present two case studies that demonstrate the operation of our software tools. The first case study analyzed the logos of countries: flags. The second case study analyzed the logos of financial institutions. In addition to the descriptive statistics, we also put the results of the color analysis into relation with social‐economic indicators. Our software tools have been successful at offering logo designers valuable information for the design of new logos. © 2013 Wiley Periodicals, Inc. Col Res Appl, 40, 72–84, 2015
The Viedma Deracemization of Racemic Conglomerate Mixtures as a Paradigm of Spontaneous Mirror Symmetry Breaking in Aggregation and Polymerization
Authors: Blanco Celia , Crusats Joaquim , El‐Hachemi Zoubir , Moyano Albert , Veintemillas‐Verdaguer Sabino , Hochberg David , Ribó Josep M.
Published: November 2013

Simulations of a chemical kinetics model, based on the free‐energy relationships of classical primary nucleation theory, show that the deracemization phenomenon in systems of achiral or fast racemizing compounds yielding enantiopure crystals as the more stable solid phase is a true spontaneous mirror symmetry breaking process (SMSB). That is, the achievement of a stationary chiral state is more stable than the racemic one. The model translates the free‐energy relationships determined by the existence of a critical size cluster to a chemical kinetics model, in which the consideration of forward and backward reaction rate constants avoids the misuse of network parameters that violate thermodynamic constraints (microreversibility principle), which would lead to apparent in silico SMSB. The model provides qualitative agreement for deracemizations by mechanical attrition of visible crystals, as well as for those obtained under temperature gradients. The analysis of the effect of the system parameters to obtain a SMSB scenario shows that the network possesses the principal characteristics of SMSB networks: 1) an enantioselective autocatalytic stage, corresponding to the non‐linear kinetics of enantioselective (homochiral) cluster‐to‐cluster growth, and 2) the mutual inhibition step originating in the backward flow of chiral clusters towards smaller achiral clusters, or even to a racemizing monomer. The application of such a SMSB kinetic model to enantioselective polymerizations and to chiral biopolymers is discussed.
Effects of Inorganic Acid Modification on Photocatalytic Performance of TiO2 and Its Activity‐Enhanced Mechanism Related to Adsorbed O2
Authors: Cui Haiqin , Cao Yue , Jing Liqiang , Luan Yunbo , Li Na
Published: November 2013

In this work, commercial P25 TiO2 is modulated by post‐treatments with different acidic substances, and the effects of residual acidic substances on the photogenerated charge separation of TiO2 and its photocatalytic activity are investigated in detail. It is demonstrated by means of atmosphere‐controlled surface photovoltage spectroscopy that an increase in acid surface modification is favorable for improving the photogenerated charge separation of TiO2. As a result, its photocatalytic activity for the degradation of gas‐phase acetaldehyde is enhanced greatly. On the basis of measurements of O2 temperature‐programmed desorption of untreated and treated TiO2, it is confirmed that an increased amount of acid surface modification promotes the adsorption of O2 on TiO2. Hence, it is suggested for the first time that an increase in surface acidity through post‐treatment with an appropriate amount of acidic substance leads to a clear enhancement of the photocatalytic activity of TiO2 by promoting O2 adsorption, and thus, improving the photogenerated charge separation of TiO2. This work provides a feasible route for the synthesis of high‐activity oxide‐based semiconductor photocatalysts through surface modification with stable inorganic acids.
Schottky or Ohmic Metal–Semiconductor Contact: Influence on Photocatalytic Efficiency of Ag/ZnO and Pt/ZnO Model Systems
Authors: Yan Fengpo , Wang Yonghao , Zhang Jiye , Lin Zhang , Zheng Jinsheng , Huang Feng
Published: November 2013

The relationship between the contact type in metal–semiconductor junctions and their photocatalytic efficiencies is investigated. Two metal–semiconductor junctions, silver on zinc oxide (Ag/ZnO) and platinum on zinc oxide (Pt/ZnO) serve as model system for Ohmic and Schottky metal–semiconductor contact, respectively. Ag/ZnO, with Ohmic contact, exhibits a higher photocatalytic efficiency than Pt/ZnO, with Schottky contact. The direction of electric fields within the semiconductor is found to play a crucial role in the separation of photogenerated charges, and thus strongly influences the photocatalytic efficiency.
A servo design for slave clock in IEEE 1588 synchronization networks
Authors: Fan Zhiyu , Liu Yuan'an , Li Hu , Yuan Dongming , Hu Hefei
Published: November 2013

Clock synchronization is critical for a variety of applications in communication networks. In this paper, we design a clock servo named VI_PID‐K, which consists of a variable integral PID controller and a Kalman filter. It is a pre‐correction mechanism for the skew based on feedback principle to compensate for the poor stability of local clocks in IEEE 1588 networks. Our contribution is establishing discrete differential equation models, bringing in a variable integral PID controller to adjust the skew error and a Kalman filter to act as a skew estimator to predict the skew during one synchronization interval. Simulation results demonstrate that VI_PID‐K provides a more stable disciplined clock, improves the speed of skew convergence, and reduces Allan variance in a large time scale when compared to PI method or Fixed_Integral method.VI_PID‐K can improve the stability of slave clock and reduce the frequency that master clock sends Sync messages, so the network overhead for clock synchronization can be reduced. Copyright © 2013 John Wiley & Sons, Ltd.
Single and Multiple Additions of Dibenzoylmethane onto Buckminsterfullerene
Authors: Giovannitti Alexander , Seifermann Stefan M. , Bihlmeier Angela , Muller Thierry , Topic Filip , Rissanen Kari , Nieger Martin , Klopper Wim , Bräse Stefan
Published: November 2013

A novel dibenzoylmethane‐fullerene e,e,e‐tris adduct was synthesized by the application of a variation of the Bingel–Hirsch conditions and characterized among others by X‐ray crystallography. In addition, the corresponding hexakis adduct was detected by MALDI‐TOF‐MS analysis. Its existence was supported by density‐functional‐theory (DFT) computations. Furthermore a new synthesis of bis(benzoyl)methanofullerene was established, and its molecular structure was elucidated by X‐ray crystallography. DFT computations reproduced the experimentally determined conformation and predict a low energy barrier for the rotation of the two benzoyl moieties.
A live‐attenuated pneumococcal vaccine elicits CD4+T‐cell dependent class switching and provides serotype independent protection against acute otitis media
Authors: Rosch Jason W , Iverson Amy R , Humann Jessica , Mann Beth , Gao Geli , Vogel Peter , Mina Michael , Murrah Kyle A , Perez Antonia C , Edward Swords W , Tuomanen Elaine I , McCullers Jonathan A
Published: November 2013

Acute otitis media (AOM) caused by Streptococcus pneumoniae remains one of the most common infectious diseases worldwide despite widespread vaccination. A major limitation of the currently licensed pneumococcal vaccines is the lack of efficacy against mucosal disease manifestations such as AOM, acute bacterial sinusitis and pneumonia. We sought to generate a novel class of live vaccines that (1) retain all major antigenic virulence proteins yet are fully attenuated and (2) protect against otitis media. A live vaccine candidate based on deletion of the signal recognition pathway component ftsY induced potent, serotype‐independent protection against otitis media, sinusitis, pneumonia and invasive pneumococcal disease. Protection was maintained in animals coinfected with influenza virus, but was lost if mice were depleted of CD4+ T cells at the time of vaccination. The live vaccine induced a strong serum IgG2a and IgG2b response that correlated with CD4+ T‐cell mediated class switching. Deletion of genes required for microbial adaptation to the host environment is a novel live attenuated vaccine strategy yielding the first experimental vaccine effective against pneumococcal otitis media.
Evaluating green performance of building products based on gray relational analysis and analytic hierarchy process
Authors: Huang Mingqiang , Wang Bo
Published: November 2013

Building sector is the main contributor to total energy consumption and the associated CO2 emissions. The enforcement of energy efficient building is considered as the most successful strategy for CO2 emission reduction and energy saving during the life cycle of the building, while the application of suitable green building products plays an important role in facilitating energy efficient building promotion. This article proposes a comprehensive evaluation method for assessing the green performance of building products. The analytic hierarchy process is employed to determine the weights of evaluation indices, while the gray relational analysis is used to find the optimal product. A hypothetical case study is presented and the result shows that the sequence of the size of green performance is: product 3> product 1> product 2> product 4. Meanwhile, the proposed methods are proved feasible for scheme selection. © 2013 American Institute of Chemical Engineers Environ Prog, 33: 1389–1395, 2014
An efficient methodology for simulating earthquake‐induced 3D pounding of buildings
Authors: Polycarpou Panayiotis C. , Papaloizou Loizos , Komodromos Petros
Published: November 2013

The current paper presents an efficient methodology for numerically simulating in three dimensions adjacent buildings that may experience pounding during strong earthquakes. In particular, a new approach to the numerical problem of spatial impact modeling that does not require the ‘a priori’ determination of the contact points is presented, taking also into account the geometry at the vicinity of an impact. In the current study, the buildings are simulated as linear multi‐degree‐of‐freedom‐systems, but the methodology can be easily extended to consider nonlinear behavior as well. A software application has been specifically developed to implement the proposed methodology, using modern object‐oriented design and programming. The developed software is utilized in a simple example, and the computed results are compared with the corresponding analysis results obtained from a commercial general‐purpose software application that uses typical contact elements for the simulation of impacts. A discussion follows on the advantages and capabilities of the proposed methodology and the developed software. Copyright © 2013 John Wiley & Sons, Ltd.