bluuebunny/crossref_metadata_2025 huggingface dataset:
A mechanism to explain the variations of tropopause and tropopause inversion layer in the Arctic region during a sudden stratospheric warming in 2009
Authors: Wang Rui , Tomikawa Yoshihiro , Nakamura Takuji , Huang Kaiming , Zhang Shaodong , Zhang Yehui , Yang Huigen , Hu Hongqiao
Published: September 2016

The mechanism to explain the variations of tropopause and tropopause inversion layer (TIL) in the Arctic region during a sudden stratospheric warming (SSW) in 2009 was studied with the Modern‐Era Retrospective analysis for Research and Applications reanalysis data and GPS/Constellation Observing system for Meteorology, Ionosphere, and Climate (COSMIC) temperature data. During the prominent SSW in 2009, the cyclonic system changed to the anticyclonic system due to the planetary wave with wave number 2 (wave2). The GPS/COSMIC temperature data showed that during the SSW in 2009, the tropopause height in the Arctic decreased accompanied with the tropopause temperature increase and the TIL enhancement. The variations of the tropopause and TIL were larger in higher latitudes. A static stability analysis showed that the variations of the tropopause and TIL were associated with the variations of the residual circulation and the static stability due to the SSW. Larger static stability appeared in the upper stratosphere and moved downward to the narrow region just above the tropopause. The descent of strong downward flow was faster in higher latitudes. The static stability tendency analysis showed that the strong downward residual flow induced the static stability change in the stratosphere and around the tropopause. The strong downwelling in the stratosphere was mainly induced by wave2, which led to the tropopause height and temperature changes due to the adiabatic heating. Around the tropopause, a pair of downwelling above the tropopause and upwelling below the tropopause due to wave2 contributed to the enhancement of static stability in the TIL immediately after the SSW.
An assessment of precipitation adjustment and feedback computation methods
Authors: Richardson T. B. , Samset B. H. , Andrews T. , Myhre G. , Forster P. M.
Published: September 2016

The precipitation adjustment and feedback framework is a useful tool for understanding global and regional precipitation changes. However, there is no definitive method for making the decomposition. In this study we highlight important differences which arise in results due to methodological choices. The responses to five different forcing agents (CO2, CH4, SO4, black carbon, and solar insolation) are analyzed using global climate model simulations. Three decomposition methods are compared: using fixed sea surface temperature experiments (fSST), regressing transient climate change after an abrupt forcing (regression), and separating based on timescale using the first year of coupled simulations (YR1). The YR1 method is found to incorporate significant SST‐driven feedbacks into the adjustment and is therefore not suitable for making the decomposition. Globally, the regression and fSST methods produce generally consistent results; however, the regression values are dependent on the number of years analyzed and have considerably larger uncertainties. Regionally, there are substantial differences between methods. The pattern of change calculated using regression reverses sign in many regions as the number of years analyzed increases. This makes it difficult to establish what effects are included in the decomposition. The fSST method provides a more clear‐cut separation in terms of what physical drivers are included in each component. The fSST results are less affected by methodological choices and exhibit much less variability. We find that the precipitation adjustment is weakly affected by the choice of SST climatology.
Energy Harvesters for Wearable and Stretchable Electronics: From Flexibility to Stretchability
Authors: Wu Hao , Huang YongAn , Xu Feng , Duan Yongqing , Yin Zhouping
Published: September 2016

The rapid advancements of wearable electronics have caused a paradigm shift in consumer electronics, and the emerging development of stretchable electronics opens a new spectrum of applications for electronic systems. Playing a critical role as the power sources for independent electronic systems, energy harvesters with high flexibility or stretchability have been the focus of research efforts over the past decade. A large number of the flexible energy harvesters developed can only operate at very low strain level (≈0.1%), and their limited flexibility impedes their application in wearable or stretchable electronics. Here, the development of highly flexible and stretchable (stretchability >15% strain) energy harvesters is reviewed with emphasis on strategies of materials synthesis, device fabrication, and integration schemes for enhanced flexibility and stretchability. Due to their particular potential applications in wearable and stretchable electronics, energy‐harvesting devices based on piezoelectricity, triboelectricity, thermoelectricity, and dielectric elastomers have been largely developed and the progress is summarized. The challenges and opportunities of assembly and integration of energy harvesters into stretchable systems are also discussed.
Recent Developments in the Stereoselective Synthesis of Nitrogen‐Containing Heterocycles using N‐Acylimines as Reactive Substrates
Authors: Marcantoni Enrico , Petrini Marino
Published: September 2016

This report focuses on the utilization of N‐acylimines in addition reactions aimed at the preparation of heterocyclic compounds. These can be directly obtained by reaction of N‐acylimines with suitable nucleophilic reagents or prepared by further elaboration of the initially formed adducts. The asymmetric synthesis of these hetero‐ and polyheterocyclic derivatives is mostly achieved using chiral catalyzed reactions, including the recently introduced enantioselective Biginelli reaction. Applications of isatin ketimines to the stereoselective preparation of biologically active spiroxindole compounds are also reported.

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Iridium‐Catalyzed Carbonylative Synthesis of Halogen‐Containing Quinolin‐2(1H)‐ones from Internal Alkynes and Simple Anilines
Authors: Zhu Fengxiang , Li Yahui , Wang Zechao , Wu Xiao‐Feng
Published: September 2016

Quinolin‐2(1H)‐ones are important chemicals with various applications in pharmaceuticals. In this communication, we have developed a novel and efficient iridium‐catalyzed carbonylative annulation of simple anilines with internal alkynes for the straightforward synthesis of halogen‐containing quinolin‐2(1H)‐ones. The reaction proceeds without preactivation and directing groups through direct N–H and C–H bond activation with a broad substrate scope and high efficiency. Halogen functional groups can be well tolerated here. Remarkably, this is the first example of an iridium‐catalyzed carbonylative C–H activation of anilines.

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Information entropic measures of a quantum harmonic oscillator in symmetric and asymmetric confinement within an impenetrable box
Authors: Ghosal Abhisek , Mukherjee Neetik , Roy Amlan K.
Published: September 2016

Information‐based uncertainty measures like Shannon entropy, Onicescu energy and Fisher information (in position and momentum space) are employed to understand the effect of symmetric and asymmetric confinement in a quantum harmonic oscillator. Also, the transformation of the Hamiltonian into a dimensionless form gives an idea of the composite effect of force constant and confinement length (xc). In the symmetric case, a wide range of xc has been taken up, whereas asymmetric confinement is dealt with by shifting the minimum of the potential from the origin keeping box length and boundary fixed. Eigenvalues and eigenvectors for these systems are obtained quite accurately via an imaginary‐time propagation scheme. For asymmetric confinement, a variation‐induced exact diagonalization procedure is also introduced, which produces very high quality results. One finds that, in symmetric confinement, after a certain characteristic xc, all these properties converge to respective values of a free harmonic oscillator. In the asymmetric situation, excited‐state energies always pass through a maximum. For this potential, the classical turning point decreases, whereas well depth increases with the strength of asymmetry. A study of these uncertainty measures reveals that localization increases with an increase of the asymmetry parameter.

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The (+)‐cis‐ and (+)‐trans‐Olibanic Acids: Key Odorants of Frankincense
Authors: Cerutti‐Delasalle Céline , Mehiri Mohamed , Cagliero Cecilia , Rubiolo Patrizia , Bicchi Carlo , Meierhenrich Uwe J. , Baldovini Nicolas
Published: September 2016

Frankincense (olibanum) is one of the oldest aromatic materials used by humans, but the key molecular constituents contributing to its characteristic odor remained unknown. Reported herein is the discovery that (1S,2S)‐(+)‐trans‐ and (1S,2R)‐(+)‐cis‐2‐octylcyclopropyl‐1‐carboxylic acids are highly potent and substantive odorants occurring in ppm amounts in all of the frankincense samples analyzed, even those showing radically different volatile compositions. These cyclopropyl‐derived acids provide the very characteristic old churchlike endnote of the frankincense odor.
Divergent and Stereoselective Synthesis of β‐Silyl‐α‐Amino Acids through Palladium‐Catalyzed Intermolecular Silylation of Unactivated Primary and Secondary C−H Bonds
Authors: Liu Yue‐Jin , Liu Yan‐Hua , Zhang Zhuo‐Zhuo , Yan Sheng‐Yi , Chen Kai , Shi Bing‐Feng
Published: September 2016

A general and practical PdII‐catalyzed intermolecular silylation of primary and secondary C−H bonds of α‐amino acids and simple aliphatic acids is reported. This method provides divergent and stereoselective access to a variety of optical pure β‐silyl‐α‐amino acids, which are useful for genetic technologies and proteomics. It can also be readily performed on a gram scale and the auxiliary can be easily removed with retention of configuration. The synthetic importance of this method is further demonstrated by the late‐stage functionalization of biological small molecules, such as (−)‐santonin and β‐cholic acid. Moreover, several key palladacycles were successfully isolated and characterized to elucidate the mechanism of this β−C(sp3)‐H silylation process.
Carbon–Nitrogen Bond Cleavage by a Thorium‐NHC‐bpy Complex
Authors: Garner Mary E. , Hohloch Stephan , Maron Laurent , Arnold John
Published: September 2016

Actinide complexes demonstrate unparalleled reactivity towards small molecules. However, utilizing these powerful transformations in a predictable and deliberate manner remains challenging. Therefore, developing actinide systems that not only perform noteworthy chemistry but also demonstrate controllable reactivity is a key goal. We describe a bis(NHC)borate thorium‐bpy complex (1) that is capable of reductively cleaving the R−NC bond in a series of organic isocyanides. In contrast to most actinide‐mediated bond activations, the dealkylation event mediated by 1 is remarkably general and yields very well‐defined products that assist in mechanistic elucidation. Synthesis of the rearranged but‐3‐enyl product from the reaction of 1 and cyclopropylmethyl isocyanide supports the notion of a radical‐based mechanism.
Giant Hollow Heterometallic Polyoxoniobates with Sodalite‐Type Lanthanide–Tungsten–Oxide Cages: Discrete Nanoclusters and Extended Frameworks
Authors: Jin Lu , Li Xin‐Xiong , Qi Yan‐Jie , Niu Ping‐Ping , Zheng Shou‐Tian
Published: September 2016

The first series of niobium–tungsten–lanthanide (Nb‐W‐Ln) heterometallic polyoxometalates {Ln12W12O36(H2O)24(Nb6O19)12} (Ln=Y, La, Sm, Eu, Yb) have been obtained, which are comprised of giant cluster‐in‐cluster‐like ({Ln12W12}‐in‐{Nb72}) structures built from 12 hexaniobate {Nb6O19} clusters gathered together by a rare 24‐nuclearity sodalite‐type heterometal–oxide cage {Ln12W12O36(H2O)24}. The Nb‐W‐Ln clusters present the largest multi‐metal polyoxoniobates and a series of rare high‐nuclearity 4d‐5d‐4f multicomponent clusters. Furthermore, the giant Nb‐W‐Ln clusters may be isolated as discrete inorganic alkali salts and can be used as building blocks to form high‐dimensional inorganic–organic hybrid frameworks.
Heteroatom Tuning of Bimolecular Criegee Reactions and Its Implications
Authors: Kumar Manoj , Francisco Joseph S.
Published: September 2016

High‐level quantum‐chemical calculations have been performed to understand the key reactivity determinants of bimolecular reactions of Criegee intermediates and H2X (X=O, S, Se, and Te). Criegee intermediates are implicated as key intermediates in atmospheric, synthetic organic, and enzymatic chemistry. Generally, it is believed that the nature and location of substituents at the carbon of the Criegee intermediate play a key role in determing the reactivity. However, the present work suggests that it is not only the substitution of the Criegee intermediate, but the nature of the heteroatom in H2X that also plays a crucial role in determining the reactivity of the interaction between the Criegee intermediate and H2X. The barriers for the reactions of Criegee intermediates and H2X satisfy an inverse correlation with the bond strength of X−H in H2X, and a direct correlation with the first pKa of H2X. This heteroatom tuning causes a substantial barrier lowering of 8–11 kcal mol−1 in the Criegee reaction barrier in going from H2O to H2Te. An important implication of these results is that the reaction of the Criegee intermediate and H2S could be a source of thioaldehydes, which are important in plantery atmospheres and synthetic organic chemistry. By performing the reaction of Criegee intermediates and H2S under water or acid catalysis, thioladehydes could be detected in a hydrogen‐bonded complexed state, which is significantly more stable than their uncomplexed form. As a result, simpler aliphatic thioaldehydes could be selectively synthesized in the laboratory, which, otherwise, has been a significant synthetic challenge because of their ability to oligomerize.
Pyrene functionalized side chain alanine and histidine containing copolyacrylates prepared by free radical copolymerization
Authors: Murariu Mioara , Nechifor Marioara , Fifere Nicusor , Buruiana Emil C.
Published: September 2016

An optically active copolyacrylate, poly(N‐acryloyl‐L‐alanine‐co‐N‐acryloyl‐L‐histidine), is prepared by classical radical copolymerization of N‐acryloyl‐L‐alanine and N‐acryloyl‐L‐histidine, and further chemically modified with 1‐pyrene‐methanol. The structures of the synthesized compounds are confirmed by spectral analysis (FTIR, 1H/13C‐NMR, UV, fluorescence spectroscopy), thermal methods, and molecular weight measurements. Also, their optical activity is studied using circular dichroism (CD) spectroscopy and optical rotation measurements. The specific rotation values reveal that the direction of rotation of the parent copolymer is dictated by the monomer containing L‐alanine. CD data suggest negative and positive Cotton effects regarding the monomers with amino acids. In the case of the unmodified copolymer it is noted the changes of ellipticity values with increasing pH while the random‐coil conformation is preserved, which makes it suitable as a pH‐responsive system. Photochemical and photophysical investigations reveal that the pyrene‐functionalized chiroptical copolyacrylate can be used as a fluorescent chemosensor for the detection of nitro‐derivatives in organic media. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44457.
Brain functional connectivity abnormalities in attention‐deficit hyperactivity disorder
Authors: Silberstein Richard B. , Pipingas Andrew , Farrow Maree , Levy Florence , Stough Con K. , Camfield David A.
Published: September 2016

Introduction

Recent evidence suggests that attention‐deficit hyperactivity disorder (ADHD) is associated with brain functional connectivity (FC) abnormalities.

Methods

In this study, we use steady‐state visually evoked potential event‐related partial coherence as a measure of brain FC to examine functional connectivity differences between a typically developing (TD) group of 25 boys and an age/IQ‐matched group of 42 drug naive boys newly diagnosed with ADHD (ADHD group). Functional connectivity was estimated while both groups performed a low‐demand reference task and the A‐X version of the continuous performance task (CPT A‐X).

Results

While the TD and ADHD groups exhibited similar prefrontal FC increases prior to the appearance of the target in the reference task, these groups demonstrated significant FC differences in the interval preceding the appearance of the target in the CPT A‐X task. Specifically, the ADHD group exhibited robust prefrontal and parieto‐frontal FC increases that were not apparent in the TD group.

Conclusion

The FC differences observed in the ADHD group are discussed in the context of inadequate suppression of cortical networks that may interfere with task performance.
First North American experience with the transfemoral ACURATE‐neoTM self‐expanding transcatheter aortic bioprosthesis
Authors: Bagur Rodrigo , Teefy Patrick J. , Kiaii Bob , Diamantouros Pantelis , Chu Michael W.A.
Published: September 2016

Background: Transcatheter aortic valve implantation (TAVI) has become a therapeutic alternative for patients presenting with severe symptomatic aortic stenosis and considered at high‐surgical risk. Paravalvular leak (PVL), conduction disorders, and coronary obstruction remain unresolved procedure‐related complications. The aim of this manuscript was to report the first North American experience with the ACURATE‐neoTM aortic bioprosthesis and its ACURATE‐TFTM delivery system (Symetis S.A., Ecublens, Switzerland). Methods: Transfemoral ACURATE‐neoTM aortic valve implantation was performed in 20 patients. Clinical and echocardiographic assessment was performed at baseline, postprocedure and at least 30 days. Outcomes were assessed according to valvular academic research consortium (VARC‐2) criteria. Results: The mean age was 82.7 ± 7.0 years with a mean logistic‐EuroSCORE‐II of 5.0 ± 2.9% and Society of Thoracic Surgeons score of 4.7 ± 2.3%. Device success was achieved in all patients. The mean distance between the aortic‐annulus and the left main coronary artery ostium was 14.3 ± 3.2 mm, and eight (40%) patients had <12 mm. At 30 days, there were no deaths, conversions to surgery, or major procedure‐related complications. New‐pacemaker implantation was required in one (5.3%) patient. ACURATE‐neoTM implantation resulted in a significant reduction in mean transvalvular gradient (49.9 ± 15.8 to 9.7 ± 5.7 mm Hg, P < 0.0001) and increase in effective‐orifice area (0.65 ± 0.16 to 1.83 ± 0.36 cm2, P = 0.001) at hospital discharge. Paravalvular leak was absent in four (20%) patients, trace in nine (45%) patients, and mild in seven (35%) patients. Hospital discharge occurred at a mean of 7.0 ± 4.5 days, and all patients were in NYHA class I–II at a mean follow‐up of 8.6 ± 2.3 months. Conclusion: The present initial North American experience shows that the ACURATE‐neoTM aortic bioprosthesis was safely and successfully implanted by transfemoral approach. The special design of this newer‐generation device affords a stable and predictable implantation, while providing optimal hemodynamic performance with a relatively low rate of PPI. © 2016 Wiley Periodicals, Inc.
Copper Complexes of New Redox‐Active 4,5‐Bisguanidino‐Substituted Benzodioxole Ligands: Control of the Electronic Structure by Counter‐Ligands, Solvent, and Temperature
Authors: Schrempp David Fridolin , Kaifer Elisabeth , Wadepohl Hubert , Himmel Hans‐Jörg
Published: September 2016

Herein, we analyze the possibility of controlling the electronic structure of mononuclear copper complexes featuring new redox‐active 4,5‐bisguanidino‐substituted benzodioxole ligands. The nature of the guanidino groups, the anionic counter‐ligands, the applied solvent (polarity), and the temperature are the parameters that decide if a CuII complex with neutral ligand unit or a CuI complex with radical monocationic ligand unit is the adequate description. Under special conditions, a temperature‐dependent equilibrium of the two valence tautomeric forms (CuII/neutral ligand and CuI/radical monocationic ligand) is achieved. Removal of a ligand‐centered electron from a paramagnetic CuII complex with a neutral ligand unit leads to a diamagnetic CuI complex with a dicationic ligand unit through a redox‐induced electron‐transfer (RIET) process.
Luminescent Dinuclear Bis‐Cyclometalated Gold(III) Alkynyls and Their Solvent‐Dependent Morphologies through Supramolecular Self‐Assembly
Authors: Yim King‐Chin , Au Vonika Ka‐Man , Hung Ling‐Ling , Wong Keith Man‐Chung , Yam Vivian Wing‐Wah
Published: September 2016

A series of luminescent bis‐cyclometalated gold(III) complexes containing bridging alkynyl ligands of different natures has been synthesised and characterised. The photophysical properties of the complexes have been investigated through electronic absorption spectroscopy and emission studies. The vibronic emission bands are found to originate from the triplet intraligand (IL) π–π* excited states of the bis‐cyclometalating ligands with some mixing of 3IL π–π* character of the alkynyl ligands. The electrochemical study of a nonsymmetric dinuclear complex shows two successive reduction processes originating from the reductions of the two different cyclometalating ligands. The complexes are found to undergo supramolecular self‐assembly processes driven by π–π stacking and hydrophobic/hydrophilic interactions to give honeycomb nanostructures, as revealed from the SEM images. Solvent‐dependent morphological transformations have also been observed, which have been studied by SEM and 1H NMR spectroscopy.
Synthesis of Triptycene‐Substituted Azapentacene and Azahexacene Derivatives
Authors: Biegger Philipp , Tverskoy Olena , Rominger Frank , Bunz Uwe H. F.
Published: September 2016

We describe the synthesis and characterization of novel iptycene‐substituted azaacenes by using either a classic condensation route (diamine plus ortho‐quinone) and/or a Pd‐catalyzed coupling of an aromatic diamine with an aromatic dihalide. The attachment of an iptycene unit leads to a significant blueshift (15 nm) in the UV/Vis spectra of these azaacenes. The iptycene unit stabilizes a hexaazahexacene with a λmax abs of 833 nm. By employing 5,6‐diamino(benzothiadiazole) as a synthon for tetraaminobenzene, we could prepare the symmetrical bis‐triptycene‐substituted tetraazapentacene in high yields.
ChemInform Abstract: Crystal Structure of LaSr3Fe3O8 (OH)2·xH2O.
Authors: Oeygarden Vegar , Fjellvaag Helmer , Soerby Magnus H. , Sjaastad Anja O.
Published: September 2016

The hydrated Ruddlesden—Popper phase of title is prepared by hydrothermal treatment of LaSr3Fe3O9 with degassed H2O (or D2O) in a separate compartment (autoclave, 50 °C, 12 h).
ChemInform Abstract: A new One‐dimensional Strontium Vanadium Tellurite, Sr7V4Te12O41.
Authors: Kim Sun Woo , Emge Thomas J. , Greenblatt Martha
Published: September 2016

Single crystals of Sr7V4Te12O41 are obtained from melts of equimolar amounts of SrTeO4 and VO2 (evacuated quartz tubes, 973 K, 1 d).
ChemInform Abstract: Yb9+CuMg4‐ (x = 0.034): A ϰ‐Phase Formed by Lanthanoids.
Authors: De Negri Serena , Romaka Vitaliy , Solokha Pavlo , Saccone Adriana , Giester Gerald , Michor Herwig , Rogl Peter F.
Published: September 2016

The crystal structures of Yb2Cu1.83Mg (I) and Yb9.034CuMg3.966 (II) are determined by powder and single crystal XRD, respectively.
ChemInform Abstract: Zn2NF and Related Analogues of ZnO.
Authors: Lingampalli Srinivasa Rao , Manjunath Krishnappa , Shenoy Sandhya , Waghmare Umesh V. , Rao C. N. R.
Published: September 2016

Variation of the band gap of ZnO is achieved by progressive substitution of O by N and F.
ChemInform Abstract: Synthesis and Catalytic Asymmetric Applications of Quinazolinol Ligands.
Authors: Karakaya Idris , Karabuga Semistan , Mart Mehmet , Altundas Ramazan , Ulukanli Sabri
Published: September 2016

A range of synthesized chiral quinazolinol ligands is investigated for the catalytic activity in both the asymmetric phenylation of aryl aldehydes and the asymmetric epoxidation of chalcones.
ChemInform Abstract: Lactamization of sp2 C—H Bonds with CO2: Transition‐Metal‐Free and Redox‐Neutral.
Authors: Zhang Zhen , Liao Li‐Li , Yan Si‐Shun , Wang Lei , He Yun‐Qi , Ye Jian‐Heng , Li Jing , Zhi Yong‐Gang , Yu Da‐Gang
Published: September 2016

The use of CO2 as convenient carbonyl source and excess (3 to 4.5 eq.) NaOtBu as base allows the efficient cyclization of variously substituted 2‐alkyl substituted anilines to 2‐quinolinones.
ChemInform Abstract: Palladium Complexes of Anionic N‐Heterocyclic Carbenes Derived from Sydnones in Catalysis.
Authors: Lucke Ana‐Luiza , Wiechmann Sascha , Freese Tyll , Guan Zong , Schmidt Andreas
Published: September 2016

A Pd‐complex derived from 4‐bromo‐3‐phenylsydnone proves to be active as catalyst in Suzuki—Miyaura reactions.
ChemInform Abstract: Eco‐Friendly Synthesis of Benzoxazepine and Malonamide Derivatives in Aqueous Media.
Authors: Babazadeh Mirzaagha , Hosseinzadeh‐Khanmiri Rahim , Zakhireh Solmaz
Published: September 2016

The catalytic system, H5PW10V2O40/MCM‐48, can be easily recovered by simple filtration and reused up to four times without significant loss of activity.
ChemInform Abstract: Polystyrene Supported N‐Phenylpiperazine—Cu(II) Complex: An Efficient and Reusable Catalyst for KA2‐Coupling Reactions under Solvent‐Free Conditions.
Authors: Perumgani Pullaiah C. , Keesara Srinivas , Parvathaneni Saiprathima , Mandapati Mohan Rao
Published: September 2016

A polymer supported N‐phenylpiperazine—Cu(II) complex efficiently catalyzes the multicomponent reaction of a ketone (I), an alkyne and an amine furnishing propargylamines in good to excellent yields.
ChemInform Abstract: Cooperative Organocatalysis of Mukaiyama‐Type Aldol Reactions by Thioureas and Nitro Compounds
Authors: Bukhryakov Konstantin V. , Desyatkin Victor G. , Rodionov Valentin O.
Published: September 2016

involving a nitro group‐mediated silyl cation transfer
ChemInform Abstract: Generation of the Methoxycarbonyl Radical by Visible‐Light Photoredox Catalysis and Its Conjugate Addition with Electron‐Deficient Olefins
Authors: Slutskyy Yuriy , Overman Larry E.
Published: September 2016

for the direct and regioselective construction of a 1,4‐dicarbonyl structural motif
ChemInform Abstract: Ligand‐Free, Cu‐ and Fe‐Catalyzed Selective Ring‐Opening Arylations of Benzoxazoles with Aryl Iodides.
Authors: He Yue , Mao Jincheng , Rong Guangwei , Yan Hong , Zhang Guoqi
Published: September 2016

The copper‐catalyzed reaction of benzoxazoles with aryl iodides leads to 2‐(diarylamino)phenols, whilst the iron‐catalyzed reaction affords 2‐(arylamino)phenols.
ChemInform Abstract: Highly Selective Copper‐Catalyzed Oxidation of Benzyl Alcohols to Aromatic Aldehydes in Water at Room Temperature.
Authors: Wu Jianglong , Liu Yan , Ma Xiaowei , Liu Ping , Gu Chengzhi , Dai Bin
Published: September 2016

The catalytic system exhibits a wide substrate scope with high functional group tolerance and recyclability for two runs.
ChemInform Abstract: Regioselective Construction of Diverse and Multifunctionalized 2‐Hydroxybenzophenones for Sun Protection by Indium(III)‐Catalyzed Benzannulation.
Authors: Cai Hongyun , Xia Likai , Lee Yong Rok
Published: September 2016

The title compounds are prepared by the highly regioselective indium(III)‐catalyzed benzannulation reaction between benzopyran derivatives and β‐enaminoesters or ‐enamino ketones.
ChemInform Abstract: Organocatalytic Asymmetric Synthesis of trans‐Configured Trispirooxindoles Through a Cascade Michael‐Cyclization Reaction.
Authors: Wu Chaoling , Jing Linhai , Qin Dabin , Yin Mingxing , He Qiuzuo
Published: September 2016

A novel stereoselective Michael cyclization reaction of cyclic methyleneindolinones and 3‐isothiocyanatooxindoles is presented furnishing chiral trispirooxindoles in good yield and enantioselectivities.
ChemInform Abstract: Sulfamic Acid as Energy Efficient Catalyst for Synthesis of Flurophores, 1‐H‐Spiro[isoindoline‐1,2′‐quinazoline]‐3,4′(3′H)‐diones.
Authors: Mane Mansing M. , Pore Dattaprasad M.
Published: September 2016

The title spiro compounds are prepared by sulfamic acid‐catalyzed reaction of anthranilamide with cyclic carbonyl compounds.
ChemInform Abstract: Iron‐Mediated Oxidative C—H Coupling of Arenes and Alkenes Directed by Sulfur: An Expedient Route to Dihydrobenzofurans.
Authors: Cavanagh Craig W. , Aukland Miles H. , Laurent Quentin , Hennessy Alan , Procter David J.
Published: September 2016

The sulfur‐directed oxidative C—H ortho‐coupling of arenes with alkenes gives rise to chlorides (III) in moderate yields.
ChemInform Abstract: Synthesis, Biochemistry, and Computational Studies of Brominated Thienyl Chalcones: A New Class of Reversible MAO‐B Inhibitors.
Authors: Mathew Bijo , Haridas Abitha , Ucar Guelberk , Baysal Ipek , Joy Monu , Mathew Githa E. , Lakshmanan Baskar , Jayaprakash Venkatesan
Published: September 2016

The title chalcones are prepared and tested for their inhibitory activities towards human monoamine oxidase (hMAO).
ChemInform Abstract: Base‐Catalyzed Controllable Reaction of 3‐Ylideneoxindoles with O‐Boc Hydroxycarbamates for the Synthesis of Amidoacrylates and Spiroaziridine Oxindoles.
Authors: Liu Yi‐Yin , Duan Shu‐Wen , Zhang Rui , Liu Yun‐Hang , Chen Jia‐Rong , Xiao Wen‐Jing
Published: September 2016

The direction of the reaction of 3‐ylideneoxindole with O‐Boc hydroxycarbamate depends on the catalyst used leading to amidoacrylates, bispirooxindole, or spiroaziridine.
ChemInform Abstract: The Synthesis and Biological Evaluation of Unsymmetrical 2,2‐Di(1H‐indol‐3‐yl)‐N‐phenylacetamide Derivatives.
Authors: Li Ren‐Jun , Zhou Yan , Zheng Yang , Hai Li , Wu Yong
Published: September 2016

The title compounds are prepared by regioselective Friedel—Crafts alkylation of alcohols (I) and (IV) with various indoles.
ChemInform Abstract: I2—DMSO Promoted Metal Free Oxidative Cyclization for the Synthesis of Substituted Indoles and Pyrroles.
Authors: Ramakrishnam Raju Addada , Venkata Reddy Regalla , Mallikarjuna Rao Vajja , Venkata Naresh Vema , Venkateswara Rao Anna
Published: September 2016

A mild and operationally simple method is presented for the cyclization reactions of 2‐aminoacetophenones or enamines with phenylalkynes to form indoles and pyrroles, respectively.
ChemInform Abstract: Ru‐Catalyzed Highly Site‐Selective C—H Bond Arylation of 9‐(Pyrimidin‐2‐yl)‐9H‐carbazole.
Authors: Reddy K. Harsha Vardhan , Kumar R. Uday , Reddy V. Prakash , Satish G. , Nanubolu Jagadeesh Babu , Nageswar Y. V. D.
Published: September 2016

The ortho‐arylation of the title compounds is carried out using aryl boronic acids to afford the target compounds in moderate to good yields and with good functional group tolerance.
ChemInform Abstract: Facile Access to 3,7‐Dialkyltetrahydro‐1H,5H‐[1,2,4]triazolo[1,2‐a] [1,2,4]triazole‐1,5‐dithiones.
Authors: Saeed Aamer , Channar Pervaiz Ali , Larik Fayaz Ali , Floerke Ulrich
Published: September 2016

The title triazole derivatives are prepared from thiosemicarbazide and aliphatic aldehydes via formation and intramoleculare cyclization of thiosemicarbazone in good yields.
ChemInform Abstract: Facile Synthesis of 3‐Amino‐5‐aryl‐1,2,4‐oxadiazoles via PIDA‐Mediated Intramolecular Oxidative Cyclization.
Authors: Lu Kuan , Duan Liancheng , Xu Boxuan , Yin Weile , Wu Di , Zhao Yanfang , Gong Ping
Published: September 2016

The title oxadiazoles are prepared by intramolecular cyclization of aromatic N‐acylguanidines using PhI(OAc)2 as oxidant in moderate to good yields.
ChemInform Abstract: Cyclization of 4‐Phenoxy‐2‐coumarins and 2‐Pyrones via a Double C—H Activation.
Authors: Mackey Katrina , Pardo Leticia M. , Prendergast Aisling M. , Nolan Marie‐T. , Bateman Lorraine M. , McGlacken Gerard P.
Published: September 2016

The aryl‐heteroaryl coupling‐method avoids the need of activating groups.
ChemInform Abstract: Synthesis of 2‐Substituted Furo[2,3‐b]‐ and Furo[3,2‐c]quinolines via Heterogeneous Palladium‐Catalyzed Heteroannulation.
Authors: Park Hee Jung , Yang Ok‐Kyung , Park Young Chul , Yum Eul Kgun
Published: September 2016

Title compounds are synthesized starting from o‐halohydroxyquinolines [(I) or (IV), resp.] and terminal alkynes (II) with Pd(OAc)2 supported by nanosized pore carbon balls as catalyst.
ChemInform Abstract: Tandem Allylic Alcohol Isomerization/Oxo‐Michael Addition Reaction Promoted by Re2O7.
Authors: Lai Yisheng , et al.
Published: September 2016

A regioselective and stereoselective isomerization of cyclohexadienone‐tethered allylic alcohols followed by diastereoselective ring‐closure via oxa‐Michael addition leads to bicyclic enones.
ChemInform Abstract: Nano‐Ferrite Supported Glutathione as a Reusable Nano‐Organocatalyst for the Synthesis of Phthalazine‐Trione and Dione Derivatives under Solvent‐Free Conditions.
Authors: Dam Binoyargha , Saha Mithu , Jamatia Ramen , Pal Amarta Kumar
Published: September 2016

The catalyst can be recycled by an external magnet and reused in five more consecutive runs without significant loss of activity.
ChemInform Abstract: Magnetically Recyclable Copper Modified GO/Fe3O4 Catalyst for Efficient Synthesis of Quinazolinones.
Authors: Kong Lu‐Lu , Fan Li‐Yan
Published: September 2016

Bioactive quinazolinones (III) are effectively synthesized by condensation of iodobenzamides (I) with amino acids (II) in good yields using magnetically recyclable and reusable Fe3O4/graphene oxide‐CuI as catalyst.
ChemInform Abstract: Dipolar Dyes with a Pyrrolo[2,3‐b]quinoxaline Skeleton Containing a Cyano Group and a Bridged Tertiary Amino Group: Synthesis, Solvatofluorochromism, and Bioimaging.
Authors: Lukasiewicz Lukasz G. , Deperasinska Irena , Poronik Yevgen M. , Jun Yong Woong , Banasiewicz Marzena , Kozankiewicz Boleslaw , Ahn Kyo Han , Gryko Daniel T.
Published: September 2016

Dipolar dye (IV) is successfully used in the two‐photon imaging of mouse organ tissues.
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Hydrosilylation of Styrene and Its Derivatives with Chiral Phosphoramidite Ligands Containing Chiral Ferrocenyl Amine.
Authors: Park Hyun‐Sub , Kim Min Young , Ahn Hyo Jin , Han Jin Wook
Published: September 2016

Asymmetric hydrosilylation of styrene and its derivatives (I) is accomplished using a palladium catalyst with the title ligand.
ChemInform Abstract: Two New Diterpenoids from the Endophytic Fungus Trichoderma sp. Xy24 Isolated from Mangrove Plant Xylocarpus granatum.
Authors: Dai Jun‐Gui , et al.
Published: September 2016

Two harziane diterpenoids, named (9R,10R)‐dihydro‐harzianone (I) and harzianelactone (II) are isolated from the endophytic fungus Trichoderma sp.
ChemInform Abstract: Carbon Nanotubes as Electrically Active Nanoreactors for Multi‐Step Inorganic Synthesis: Sequential Transformations of Molecules to Nanoclusters and Nanoclusters to Nanoribbons.
Authors: Botos Akos , Biskupek Johannes , Chamberlain Thomas W. , Rance Graham A. , Stoppiello Craig T. , Sloan Jeremy , Liu Zheng , Suenaga Kazutomo , Kaiser Ute , Khlobystov Andrei N.
Published: September 2016

Confinement in the nanoscale cavities of single‐walled carbon nanotubes (SWNTs) is used for multistep inorganic synthesis within the same nanotube.
ChemInform Abstract: Aluminum Complexes of B‐ and N‐Based Hydrides: Synthesis, Structures and Hydrogen Storage Properties
Authors: Dovgaliuk I. , Filinchuk Y.
Published: September 2016

Review: 102 refs.
ChemInform Abstract: Solid‐State Reactions During Mechanical Alloying of Ternary Fe—Al—X (X: Ni, Mn, Cu, Ti, Cr, B, Si) Systems: A Review
Authors: Hadef Fatma
Published: September 2016

Review: 164 refs.
ChemInform Abstract: The Role of Copper‐Ceria Interactions in Catalysis Science: Recent Theoretical and Experimental Advances
Authors: Konsolakis Michalis
Published: September 2016

Review: 220 refs.
ChemInform Abstract: Lanthanides and Actinides: Annual Survey of Their Organometallic Chemistry Covering the Year 2015
Authors: Edelmann Frank T.
Published: September 2016

Review: 176 refs.
ChemInform Abstract: Recent Advances in Transition‐Metal‐Catalyzed Synthesis of Coumarins
Authors: Priyanka Priyanka , Sharma Rajesh Kumar , Katiyar Diksha
Published: September 2016

Review: [70 refs.
ChemInform Abstract: Shibasaki Catalysts and Their Use for Asymmetric Synthetic Applications by the Chemical Industry
Authors: Groeger Harald
Published: September 2016

Review: [44 refs.
ChemInform Abstract: Polymeric Amorphous Solid Dispersions: A Review of Amorphization, Crystallization, Stabilization, Solid‐State Characterization, and Aqueous Solubilization of Biopharmaceutical Classification System Class II Drugs
Authors: Baghel Shrawan , Cathcart Helen , O'Reilly Niall J.
Published: September 2016

Review: 217 refs.
ChemInform Abstract: Simulations of Room Temperature Ionic Liquids: from Polarizable to Coarse‐Grained Force Fields
Authors: Salanne Mathieu
Published: September 2016

Review: 122 refs.
ChemInform Abstract: Recent Developments in Radiolabeled Peptides for PET Imaging of Cancer
Authors: Charron Carlie L. , Farnsworth Ashleigh L. , Roselt Peter D. , Hicks Rodney J. , Hutton Craig A.
Published: September 2016

Review: 91 refs.
ChemInform Abstract: Using Electron Paramagnetic Resonance Spectroscopy to Facilitate Problem Solving in Pharmaceutical Research and Development
Authors: Mangion Ian , Liu Yizhou , Reibarkh Mikhail , Williamson R. Thomas , Welch Christopher J.
Published: September 2016

Review: [32 refs.
Microwave‐Assisted Syntheses of Benzimidazole‐Containing Selenadiazole Derivatives That Induce Cell‐Cycle Arrest and Apoptosis in Human Breast Cancer Cells by Activation of the ROS/AKT Pathway
Authors: Liang Yuanwei , Zhou Yangliang , Deng Shulin , Chen Tianfeng
Published: September 2016

The use of selenium‐containing heterocyclic compounds as potent cancer chemopreventive and chemotherapeutic agents has been well documented by a large number of clinical studies. In this study we developed a new approach to synthesize four benzimidazole‐containing selenadiazole derivatives (BSeDs). The method uses a combination of peptide coupling reagents and microwave irradiation. This strategy features milder reaction conditions, higher yields, and shorter reaction times. The synthetic BSeDs were identified as potent antiproliferative agents against the human MCF‐7 and MDA‐MB‐231 breast cancer cell lines. Compounds 1 b (5‐(6‐methyl‐1H‐benzo[d]imidazol‐2‐yl)benzo[c][1,2,5]selenadiazole), 1 c (5‐(6‐chloro‐1H‐benzo[d]imidazol‐2‐yl)benzo[c][1,2,5]selenadiazole), and 1 d (5‐(6‐bromo‐1H‐benzo[d]imidazol‐2‐yl)benzo[c][1,2,5]selenadiazole) were found to show greater cytotoxicity against the triple‐negative breast cancer cell line MDA‐MB‐231 than MCF‐7, and to exhibit dose‐dependent inhibition of cell migration, in which a significant decrease in the zone of cell monolayer wound closure was observed relative to untreated controls. Our results demonstrate that BSeDs can cause cell‐cycle arrest and apoptosis in MDA‐MB‐231 cells by inducing DNA damage, inhibiting protein kinase B (AKT), and activating mitogen‐activated protein kinase (MAPK) family members through the overproduction of reactive oxygen species (ROS). Taken together, the results of this study provide a facile microwave‐assisted strategy for the synthesis of selenium‐containing organic compounds that exhibit a high level of anticancer efficacy.
Clinical presentation and outcomes for adult ependymoma patients
Authors: Acquaye Alvina A. , Vera Elizabeth , Gilbert Mark R. , Armstrong Terri S.
Published: September 2016

BACKGROUND

Outcomes projects can be a catalyst for determining disease‐ and treatment‐related consequences for patients with rare tumors. The Adult Ependymoma Outcomes (AEO) survey uses self‐reported experience to evaluate how this tumor affects patient groups throughout the illness trajectory.

METHODS

Patients completed the AEO survey via a Web‐based portal. The survey included questions on treatment, tumor recurrence, and current health status; the MD Anderson Symptom Inventory Brain Tumor and Spine Tumor modules; and the Medical Outcomes Study 36‐Item Short Form Health Survey (SF‐36).

RESULTS

The sample included 264 participants (57% female) with a median age of 46 years (range, 18‐77 years). Radiation treatment was commonly used for patients who had brain involvement (χ2(1) = 20.7; P < .001), underwent a partial resection (43%; χ2(3) = 15.4; P < .001), or had a grade 3 tumor (41%; χ2(2) = 18.8; P < .001). Recurrence occurred in a small group (29%), with grade 1 tumor patients 2.6 times more likely and grade 3 tumor patients 2.5 times more likely to experience recurrence than those with grade 2 tumors. Spine tumor patients had a higher symptom burden (mean, 2.8; scale, 0‐10) than brain tumor patients (t(247) = −4.0), and they reported more moderate to severe symptoms (rating ≥ 5; 29%) than their counterparts (18%). Within the physical health portion of the SF‐36, spine tumor patients reported worse health with respect to bodily pain (t(249) = 6.8; P < .001), physical functioning (t(252) = 4.1; P < .001), and vitality (t(202.2) = 3.0; P < .003).

CONCLUSIONS

These results demonstrate the feasibility of implementing outcomes projects that report on the clinical and demographic characteristics of a rare patient population, and they underscore the importance of outcomes data in understanding disease‐related issues. Cancer 2017;123:494–501. © 2016 American Cancer Society.
Maintenance lenalidomide after transplantation: How much is enough?
Authors: Usmani Saad Z.
Published: September 2016

A longer duration of lenalidomide maintenance appears to improve survival outcomes. Patients who will benefit still cannot be distinguished from those who will not.

See also pages 3831‐7.
Network theory and behavioral finance in a heterogeneous market environment
Authors: Khashanah Khaldoun , Alsulaiman Talal
Published: September 2016

This article addresses the stock market as a complex system. The complexity of the stock market arises from the structure of the environment, agent heterogeneity, interactions among agents, and interactions with market regulators. We develop the idea of a meta‐model, which is a model of models represented in an agent‐based model that allows us to investigate this type of market complexity. The novelty of this article is the incorporation of various complexities captured by network theoretical models or induced by investment behavior. The model considers agents heterogeneous in terms of their strategies and investment behavior. Four investment strategies are included in the model: zero‐intelligence, fundamental strategy, momentum (trend followers), and adaptive trading strategy using the artificial neural network algorithm. In terms of behavior, the agents can be risk averse or loss occupied with overconfidence or conservative biases. The agents may interact with each other by sharing market sentiments through a structured scale‐free network. The market regulator controls the market through various control tools such as the risk‐free rate and taxation. Parameters are calibrated to the S&P500. The calibration is implemented using a scatter search heuristic approach. The model is validated using various stylized facts of stock return patterns such as excess kurtosis, auto‐correlation, and ARCH effect phenomena. Analysis at the macro and micro level of the market was performed by measuring the sensitivity of volatility and market capital and investigating the wealth distributions of the agents. We found that volatility is more sensitive to the model parameters than to market capital, and thus, the level of volatility does not affect market capital. In addition, the findings suggest that the efficient market hypothesis holds at the macro level but not at the micro level. © 2016 Wiley Periodicals, Inc. Complexity 21: 530–554, 2016
Vibrational Response of Methylammonium Lead Iodide: From Cation Dynamics to Phonon–Phonon Interactions
Authors: Ivanovska Tanja , Quarti Claudio , Grancini Giulia , Petrozza Annamaria , De Angelis Filippo , Milani Alberto , Ruani Giampiero
Published: September 2016

The dynamic evolution of the vibrational interactions in the prototypical CH3NH3PbI3 was studied through a comprehensive experimental and theoretical investigation with a focus on the interactions between the organic cations and the inorganic cage. To date, no clear picture has emerged on the critical and fundamental interactions between the two perovskite components, despite the relevance of phonons to the electronic properties of several classes of perovskites. For the first time, we have monitored the IR and nonresonant Raman response in the broad frequency range 30–3400 cm−1 and in the temperature interval 80–360 K. Strong changes in the energies of different vibrational modes with temperature are observed and examined in the framework of phonon–phonon interactions considering a significant anharmonic contribution to the phonon relaxation process. The vibrational relaxation of the bending modes and their reorientation activation energies identify that such mechanisms are governed by medium‐to‐strong hydrogen bonds in the orthorhombic phase; however, any ferroelectric ordering in the orthorhombic phase is governed mostly by dipole interactions. These changes imply that charge localization mechanisms play a primary role, and our study enriches the fundamental knowledge of phonon interactions and charge transport in CH3NH3PbI3 for the further development of optoelectronic applications.
Resource stoichiometry and the biogeochemical consequences of nitrogen deposition in a mixed deciduous forest
Authors: Midgley Meghan G. , Phillips Richard P.
Published: September 2016

Ecosystems often show differential sensitivity to chronic nitrogen (N) deposition; hence, a critical challenge is to improve our understanding of how and why site‐specific factors mediate biogeochemical responses to N enrichment. We examined the extent to which N impacts on soil carbon (C) and N dynamics depend on microbial resource stoichiometry. We added N to forest plots dominated by ectomycorrhizal (ECM) trees, which have litter and soil pools rich in organic N and relatively wide C:N ratios, and adjacent forest plots dominated by arbuscular mycorrhizal (AM) trees, which have litter and soil pools rich in inorganic N and relatively narrow C:N ratios. While microbes in both plot types exhibited fairly strict biomass homeostasis, microbes in AM‐ and ECM‐dominated plots differed in their physiological responses to N addition. Microbes in ECM plots responded to N enrichment by decreasing their investment in N‐acquisition enzymes (relative to C‐acquisition enzymes) and increasing N mineralization rates (relative to C mineralization rates), suggesting that N addition alleviated microbial N demand. In contrast, heterotrophic microbial activities in AM plots were unaffected by N addition, most likely as a result of N‐induced increases in net nitrification (60% increase relative to control plots) and nitrate mobilization (e.g., sixfold increases in mobilization relative to control plots). Combined, our findings suggest the stoichiometric differences between AM and ECM soils are the primary drivers of the observed responses. Plant and microbial communities characterized by wide C:N are more susceptible to N‐induced changes in decomposition and soil C dynamics, whereas communities characterized by narrow C:N are more susceptible to N‐induced nitrate leaching losses. Hence, the biogeochemical consequences of N deposition in temperate forests may be driven by the stoichiometry of the dominant trees and their associated microbes.