bluuebunny/crossref_metadata_2025 huggingface dataset:
Transport in nanoporösen Materialien, einschließlich MOFs: über die Anwendbarkeit der Fickschen Gesetze
Authors: Titze Tobias , Lauerer Alexander , Heinke Lars , Chmelik Christian , Zimmermann Nils E. R. , Keil Frerich J. , Ruthven Douglas M. , Kärger Jörg
Published: October 2015

Die Diffusion in nanoporösen Wirt‐Gast‐Systemen wird oft als viel zu kompliziert angesehen, als dass sie mit so “einfachen” Beziehungen wie dem ersten und zweiten Fickschen Gesetz vereinbar sein könnte. Wir zeigen nun, dass die mikroskopischen Diffusionsmesstechniken, vor allem die NMR‐Spektroskopie mit gepulsten Feldgradienten (PFG) und die Mikrobildgebung mittels Interferenzmikroskopie (IFM) und IR‐Mikroskopie (IRM), den direkten experimentellen Nachweis für die Anwendbarkeit der Fickschen Gesetze auf solche Systeme liefern. Dies gilt oft auch dann noch, wenn die zugrundeliegenden Transportmechanismen komplex sind. Die Grenzen des Diffusionsmodells werden unter Bezugnahme auf die umfangreiche Literatur diskutiert.
Dipolar Quinoidal Acene Analogues as Stable Isoelectronic Structures of Pentacene and Nonacene
Authors: Shi Xueliang , Kueh Weixiang , Zheng Bin , Huang Kuo‐Wei , Chi Chunyan
Published: October 2015

Quinoidal thia‐acene analogues, as the respective isoelectronic structures of pentacene and nonacene, were synthesized and an unusual 1,2‐sulfur migration was observed during the Friedel–Crafts alkylation reaction. The analogues display a closed‐shell quinoidal structure in the ground state with a distinctive dipolar character. In contrast to their acene isoelectronic structures, both compounds are stable because of the existence of more aromatic sextet rings, a dipolar character, and kinetic blocking. They exhibit unique packing in single crystals resulting from balanced dipole–dipole and [CH⋅⋅⋅π]/[CH⋅⋅⋅S] interactions.
Ultrasensitive Direct Quantification of Nucleobase Modifications in DNA by Surface‐Enhanced Raman Scattering: The Case of Cytosine
Authors: Morla‐Folch Judit , Xie Hai‐nan , Gisbert‐Quilis Patricia , Pedro Sara Gómez‐de , Pazos‐Perez Nicolas , Alvarez‐Puebla Ramon A. , Guerrini Luca
Published: October 2015

Recognition of chemical modifications in canonical nucleobases of nucleic acids is of key importance since such modified variants act as different genetic encoders, introducing variability in the biological information contained in DNA. Herein, we demonstrate the feasibility of direct SERS in combination with chemometrics and microfluidics for the identification and relative quantification of 4 different cytosine modifications in both single‐ and double‐stranded DNA. The minute amount of DNA required per measurement, in the sub‐nanogram regime, removes the necessity of pre‐amplification or enrichment steps (which are also potential sources of artificial DNA damages). These findings show great potentials for the development of fast, low‐cost and high‐throughput screening analytical devices capable of detecting known and unknown modifications in nucleic acids (DNA and RNA) opening new windows of activity in several fields such as biology, medicine and forensic sciences.
Effect of hydrochloric acid on the properties of biodegradable packaging materials of carboxymethylcellulose/poly(vinyl alcohol) blends
Authors: Harun‐or‐Rashid M. D. , Saifur Rahaman M. D. , Enamul Kabir Shariff , Khan Mubarak A
Published: October 2015

The main focus of this research was to prepare ecofriendly biodegradable packaging materials with carboxymethylcellulose (CMC) and poly(vinyl alcohol) (PVA). Different blend films were prepared through the variation of the ratios of CMC to PVA (00:100, 30:70, 50:50, 70:30, 100:00 w/w) with and without hydrochloric acid. The mechanical properties, including the tensile strength (TS), percentage elongation at break (Eb), water uptake, and solubility in water, of the films were investigated. A soil burial test was also performed. The prepared films were characterized by attenuated total reflectance (ATR)–Fourier transform infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The highest TS and Eb values of the blend films were recorded as 19.52 MPa and 34.52%, respectively. ATR–FTIR spectroscopy, DSC, and TGA results provided that in the presence of HCl, a chemical reaction occurred between CMC and PVA. In addition, the water uptake, solubility in water, and biodegradability of the films were found to be reduced significantly. With all of these results, in presence of HCl, a blend made up of CMC and PVA with a ratio 30:70 was optimized as a biodegradable packaging material. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42870.
A comparison of four different conformations adopted by human telomeric G‐quadruplex using computer simulations
Authors: Ray Angana , Panigrahi Swati , Bhattacharyya Dhananjay
Published: October 2015

The telomeric G‐quadruplexes for their unique structural features are considered as potential anticancer drug targets. These, however, exhibit structural polymorphism as different topology types for the intra‐molecular G‐quadruplexes from human telomeric G‐rich sequences have been reported based on NMR spectroscopy and X‐ray crystallography. These techniques provide detailed atomic‐level information about the molecule but relative conformational stability of the different topologies remains unsolved. Therefore, to understand the conformational preference, we have carried out quantum chemical calculations on G‐quartets; used all‐atom molecular dynamics (MD) simulations and steered molecular dynamics (SMD) simulations to characterize the four human telomeric G‐quadruplex topologies based on its G‐tetrad core‐types, viz., parallel, anti‐parallel, mixed‐(3 + 1)‐form1 and mixed‐(3 + 1)‐form2. We have also studied a non‐telomeric sequence along with these telomeric forms giving a comparison between the two G‐rich forms. The structural properties such as base pairing, stacking geometry and backbone conformations have been analyzed. The quantum calculations indicate that presence of a sodium ion inside the G‐tetrad plane or two potassium ions on both sides of the plane give it an overall planarity which is much needed for good stacking to form a helix. MD simulations indicate that capping of the G‐tetrad core by the TTA loops keep the terminal guanine bases away from water. The SMD simulations along with equilibrium MD studies indicate that the parallel and non‐telomeric forms are comparatively less stable. We could come to the conclusion that the anti‐parallel form and also the mixed‐(3 + 1)‐form1 topology are most likely to represent the major conformation., 2016. © 2015 Wiley Periodicals, Inc. Biopolymers 105: 83–99, 2016
Synthesis of the Hydrazones of 2‐((3,5‐Di‐tert‐butyl‐4‐hydroxybenzyl)thio) acetohydrazide and the Study of their Radical Scavenging Activity by the DPPH Assay and the Computational Method
Authors: Abdulwahab Muhammad K. , Ariffin Azhar , Yehye Wageeh A. , Abdul‐Aziz Azlina , Kareem Huda S. , Nordin Nurdiana
Published: October 2015

The synthesis of antioxidant compounds bearing pharmacologically active groups has become a research interest in the last decade. A series of hydrazones containing a butylated hydroxyl group were synthesized from 2‐((3,5‐di‐tert‐butyl‐4‐hydroxybenzyl)thio)acetohydrazide and various benzaldehyde derivatives, and their radical scavenging activity was explored by 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) assay and computational calculations. Based on the results, the effects of different substituents on the DPPH IC50
values were discussed. The bond dissociation enthalpies (BDE) of OH and NH bonds and the spin density (SD) values of the compounds were calculated using the density functional theory (DFT) to determine the theoretical capability of the hydrazones as radical scavengers. Based on the results, the effects of the thioether group and the substituent groups next to the NH bond on the BDE values were also discussed.
Adaptive Correction from Virtually Complex Dynamic Libraries: The Role of Noncovalent Interactions in Structural Selection and Folding
Authors: Lafuente Maria , Atcher Joan , Solà Jordi , Alfonso Ignacio
Published: October 2015

The hierarchical self‐assembling of complex molecular systems is dictated by the chemical and structural information stored in their components. This information can be expressed through an adaptive process that determines the structurally fittest assembly under given environmental conditions. We have set up complex disulfide‐based dynamic covalent libraries of chemically and topologically diverse pseudopeptidic compounds. We show how the reaction evolves from very complex mixtures at short reaction times to the almost exclusive formation of a major compound, through the establishment of intramolecular noncovalent interactions. Our experiments demonstrate that the systems evolve through error‐check and error‐correction processes. The nature of these interactions, the importance of the folding and the effects of the environment are also discussed.
[{Ni4(OH)3AsO4}4(B‐α‐PW9O34)4]28−: A New Polyoxometalate Structural Family with Catalytic Hydrogen Evolution Activity
Authors: Lv Hongjin , Chi Yingnan , van Leusen Jan , Kögerler Paul , Chen Zheyuan , Bacsa John , Geletii Yurii V. , Guo Weiwei , Lian Tianquan , Hill Craig L.
Published: October 2015

A new structural polyoxometalate motif, [{Ni4(OH)3AsO4}4(B‐α‐PW9O34)4]28−, which contains the highest nuclearity structurally characterized multi‐nickel‐containing polyanion to date, has been synthesized and characterized by single‐crystal X‐ray diffraction, temperature‐dependent magnetism and several other techniques. The unique central {Ni16(OH)12O4(AsO4)4} core shows dominant ferromagnetic exchange interactions, with maximum χmT of 69.21 cm3 K mol−1 at 3.4 K. Significantly, this structurally unprecedented complex is an efficient, water‐compatible, noble‐metal‐free catalyst for H2 production upon visible light irradiation (photosensitizer=[Ir(ppy)2(dtbbpy)][PF6]; sacrificial electron donor=triethylamine or triethanolamine). The highest turnover number of approximately 580, corresponding to a best quantum yield of approximately 4.07 %, is achieved when using triethylamine as electron donor in the presence of water. The mechanism of this photodriven process has been probed by time‐solved luminescence and by static emission quenching.
ChemInform Abstract: Ti3GaC2 and Ti3InC2: First Bulk Synthesis, DFT Stability Calculations and Structural Systematics.
Authors: Cuskelly Dylan T. , Richards Erin R. , Kisi Erich H. , Keast Vicki J.
Published: October 2015

Analysis of systematic features of MAX phase systems reveal a method for predicting new 312 MAX phases.
ChemInform Abstract: Piezoelectrically‐Induced Stress‐Luminescence Phenomenon in CaAl2O4:Eu2+.
Authors: Wei Yongbin , Wu Zheng , Jia Yanmin , Liu Yongsheng
Published: October 2015

CaAl2O4:Eu2+ (1 mol%) is prepared by firing stoichiometric amounts of ball milled CaCO3, α‐Al2O3, and Eu2O3 in 5% H2/Ar (1.
ChemInform Abstract: Na3V2(PO4)3/C Nanocomposite Synthesized via Pre‐Reduction Process as High‐Performance Cathode Material for Sodium‐Ion Batteries.
Authors: Zhu Xiaoming , Fang Yongjin , Ai Xinping , Yang Hanxi , Cao Yuliang
Published: October 2015

The title nanocomposite is prepared by ball milling of a stoichiometric mixture of V2O5, NH4H2PO4, and Na2CO3 together with oxalic acid as reducing agent (V5+→V3+) and sucrose as C precursor (10 h) and subsequent calcination under argon (700 °C, 8 h).
ChemInform Abstract: Unexpected Reactivity of Red Phosphorus in Ionic Liquids.
Authors: Groh Matthias F. , Paasch Silvia , Weiz Alexander , Ruck Michael , Brunner Eike
Published: October 2015

Reactions of red phosphorus and elemental iodine in [bmim]Cl·2AlCl3 are monitored by 31P liquid‐ and solid state NMR spectroscopy between room temperature and 80 °C.
ChemInform Abstract: Synthesis of MacMillan Catalyst Modified with Ionic Liquid as a Recoverable Catalyst for Asymmetric Diels—Alder Reaction.
Authors: Chauhan ManMohan Singh , Kumar Pramod , Singh Surendra
Published: October 2015

The catalyst can be recovered and reused up to five cycles with only a slight decrease in enantiomeric excess and product conversion.
ChemInform Abstract: Palladium/Zinc Co‐Catalyzed syn‐Stereoselectively Asymmetric Ring‐Opening Reaction of Oxabenzonorbornadienes with Phenols.
Authors: Li Sifeng , Xu Jianbin , Fan Baomin , Lu Zhiwu , Zeng Chaoyuan , Bian Zhaoxiang , Zhou Yongyun , Wang Jun
Published: October 2015

leading to cis‐2‐aryloxy‐1,2‐dihydronaphthalen‐1‐ols (III) and (V) with high enantioselectivities
ChemInform Abstract: Use of Elemental Sulfur or Selenium in a Novel One‐Pot Copper‐Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.
Authors: Siva Reddy Alla , Kumara Swamy K. C.
Published: October 2015

A novel copper‐catalyzed regio‐ and stereospecific tandem cyclization of ynamides to benzo[1,4,2]dithiazines and benzo[f][1,5,2]dithiazepines as their 1,1‐dioxides is reported.
ChemInform Abstract: Preparation of Palladium Nanoparticles Using Euphorbia thymifolia L. Leaf Extract and Evaluation of Catalytic Activity in the Ligand‐Free Stille and Hiyama Cross‐Coupling Reactions in Water.
Authors: Nasrollahzadeh Mahmoud , Sajadi S. Mohammad , Honarmand Ebrahim , Maham Mehdi
Published: October 2015

A novel, environmentally friendly, and simple one‐step method to synthesize stable Pd nanoparticles is reported.
ChemInform Abstract: Rh(III)‐Catalyzed C—H Alkylation of Arenes Using Alkylboron Reagents.
Authors: Wang He , Yu Songjie , Qi Zisong , Li Xingwei
Published: October 2015

The reaction proceeds with high site‐ and regioselectivity.
ChemInform Abstract: One‐Pot Cascade Hydration‐Asymmetric Transfer Hydrogenation as a Practical Strategy to Construct Chiral β‐Adrenergic Receptor Blockers.
Authors: Ye Qunqun , Cheng Tanyu , Zhao Yuxi , Zhao Junwei , Jin Ronghua , Liu Guohua
Published: October 2015

The title process allows for the conversion of aryl‐substituted haloalkynes into chiral halohydrins, useful precursors for the preparation of β‐andrenergic receptor blockers.
ChemInform Abstract: Diaryliodoniums by Rhodium(III)‐Catalyzed C—H Activation: Mild Synthesis and Diversified Functionalizations.
Authors: Xie Fang , Zhang Zhipeng , Yu Xinzhang , Tang Guodong , Li Xingwei
Published: October 2015

The rhodium(III)‐catalyzed C—H hyperiodination of electron‐poor arenes proceeds under chelation assistance at room temperature with high regioselectivity and functional group compatibility.
ChemInform Abstract: Palladium‐Catalyzed Reductive Coupling of Phenols with Anilines and Amines: Efficient Conversion of Phenolic Lignin Model Monomers and Analogues to Cyclohexylamines.
Authors: Chen Zhengwang , Zeng Huiying , Gong Hang , Wang Haining , Li Chao‐Jun
Published: October 2015

A wide range of secondary and tertiary substituted cyclohexylamines are conveniently obtained using cheap and safe sodium formate as hydrogen source.
ChemInform Abstract: First Application of Heterogeneous Cobalt Catalysis in Csp2‐N Cross‐Coupling of Activated Chloroarenes under Ligand‐Free Conditions.
Authors: Mukherjee Nirmalya , Chatterjee Tanmay , Ranu Brindaban C.
Published: October 2015

Functionalized tertiary amines are obtained by N‐arylation of N‐heterocycles and aliphatic secondary amines with chloroarenes and chloroheteroarenes.
ChemInform Abstract: Catalytic Asymmetric α‐Amination of α‐Branched Ketones via Enol Catalysis.
Authors: Shevchenko Grigory A. , Pupo Gabriele , List Benjamin
Published: October 2015

A chiral anthracenylbinaphthyl‐derived phosphoric acid catalyzes the title reaction in a regio‐ and enantioselective manner.
ChemInform Abstract: Highly Enantioselective Sulfa‐Michael Addition Reactions Using N‐Heterocyclic Carbene as a Non‐covalent Organocatalyst.
Authors: Chen Jiean , Meng Sixuan , Wang Leming , Tang Hongmei , Huang Yong
Published: October 2015

A triazolium salt derived NHC serves as an excellent Broensted base to promote the enantioselective carbon‐sulfur bond formation in the asymmetric sulfa‐Michael addition.
ChemInform Abstract: Highly Active Bimetallic Nickel‐Palladium Alloy Nanoparticle Catalyzed Suzuki‐Miyaura Reactions.
Authors: Rai Rohit Kumar , Gupta Kavita , Behrens Silke , Li Jun , Xu Qiang , Singh Sanjay Kumar
Published: October 2015

The Ni‐Pd nanoparticle catalyst with low palladium content efficiently catalyzes the coupling of aryl bromides and iodides with arylboronic acids in water/ethanol solvent at moderate reaction temperatures.
ChemInform Abstract: Facile Synthesis of 2,2′‐Dinitrosubstituted Biaryls Through Cu‐Catalyzed Ligand‐Free Decarboxylative Homocoupling of ortho‐Nitrobenzoic Acids.
Authors: Fu Zhengjiang , Li Zhaojie , Xiong Qiheng , Cai Hu
Published: October 2015

The reaction tolerates various substituents in the meta‐ and the para‐position of the ortho‐nitrobenzoic acids, and the products are formed in moderate to high yields.
ChemInform Abstract: Enantiopure trans‐4,5‐Disubstituted 2‐Imidazolidinones via Copper(I)‐Catalyzed Ring Opening of 1,1′‐DiBoc‐2,2′‐Biaziridine with Grignard Reagents.
Authors: Kennedy Matthew D. , Bailey Stephen J. , Wales Steven M. , Keller Paul A.
Published: October 2015

Ring opening of 1,1′‐di‐Boc‐2,2′‐biaziridines with alkyl, cyclic, and aryl Grignard reagents affords imidazolidinones via a cascade process involving one of the Boc protecting groups.
ChemInform Abstract: A General and Practical Route to 4,5‐Disubstituted Oxazoles Using Acid Chlorides and Isocyanides.
Authors: Tiwari Dipak Kumar , Pogula Jaya , Tiwari Dharmendra Kumar
Published: October 2015

An efficient and mild method for the synthesis of 4,5‐disubstituted oxazoles via [3 + 2] cycloaddition of isocyanides with acid chlorides (I) is developed.
ChemInform Abstract: New 3,4,5‐Trisubstituted Isoxazole Derivatives with Potential Biological Properties.
Authors: Bustos Carlos , Molins Elies , Carcamo Juan‐Guillermo , Aguilar Marcelo N. , Sanchez Christian , Moreno‐Villoslada Ignacio , Nishide Hiroyuki , Mesias‐Salazar Angela , Zarate Ximena , Schott Eduardo
Published: October 2015

Two of the entitled compounds (IIa) and (IIb) exhibit significant cytotoxic activity.
ChemInform Abstract: Synthesis of α‐Tetrasubstituted Triazoles by Copper‐Catalyzed Silyl Deprotection/Azide Cycloaddition.
Authors: Palchak Zachary L. , Nguyen Paula T. , Larsen Catharine H.
Published: October 2015

The applied starting material is prepared in one step by means of copper‐catalyzed ketone‐amine‐alkyne (KA2) coupling.
ChemInform Abstract: [3 + 2] Cycloadditions of Azides with Arynes via Photolysis of Phthaloyl Peroxide Derivatives.
Authors: Chang Denghu , Zhu Dan , Shi Lei
Published: October 2015

Cycloaddition of photo‐generated benzynes with azides affords benzotriazoles in moderate to good yields at room temperature.
ChemInform Abstract: Visible Light Induced, Catalyst Free, Convenient Synthesis of Chromene Nucleus and Its Derivatives Using Water—Ethanol Mixture as a Solvent.
Authors: Yadav Snehlata , Srivastava Madhulika , Rai Pratibha , Singh Jaya , Prasad Tiwari Kamla , Singh Jagdamba
Published: October 2015

A highly efficient, green, eco‐friendly, one pot protocol is presented for the synthesis of 2‐imino‐2H‐chromene‐3‐carbonitrile (III), 2‐aminochromene (IV), and chromeno(2,3‐b)pyridines (V).
ChemInform Abstract: Coproduct Promoted Povarov Reaction: Synthesis of Substituted Quinolines from Methyl Ketones, Arylamines, and α‐Ketoesters.
Authors: Gao Qinghe , Liu Shan , Wu Xia , Zhang Jingjing , Wu Anxin
Published: October 2015

The reaction utilizes catalytic HI co‐product as a promoter.
ChemInform Abstract: Synthesis and Fluorescence Properties of 4‐Diarylmethylene Analogues of the Green Fluorescent Protein Chromophore.
Authors: Miyashita Kazuyuki , et al.
Published: October 2015

The novel condensation reaction between imidates or thioimidates with N‐(diarylmethylene)glycinates affords imidazolinone derivatives with interesting fluorescence properties.
ChemInform Abstract: β‐Cyclodextrin‐propyl Sulfonic Acid: A New and Eco‐Friendly Catalyst for One‐Pot Multi‐Component Synthesis of 3,4‐Dihydropyrimidones via Biginelli Reaction.
Authors: Gong Kai , Wang Hualan , Wang Shuxin , Ren Xiaoxue
Published: October 2015

The title reaction starts from aromatic aldehydes, 1,3‐dicarbonyl compounds and urea or thiourea.
ChemInform Abstract: Direct Synthesis of 5‐Aryl Barbituric Acids by Rhodium(II)‐Catalyzed Reactions of Arenes with Diazo Compounds.
Authors: Best Daniel , Burns David J. , Lam Hon Wai
Published: October 2015

The coupling of arenes with 5‐diazobarbituric acids in the presence of a Rh(II)‐catalyst provides medicinally important compounds in a direct fashion which is more suited to drug discovery than existing technologies.
ChemInform Abstract: Expedient Synthesis of 6‐Acylindolo[1,2‐a]quinoxalines.
Authors: Trawczynski Adam , Telega Magdalena , Wrobel Zbigniew
Published: October 2015

One unsubstituted CH3‐group in the diketone is necessary for the condensation: hepta‐3,5‐dione does not react.
ChemInform Abstract: Ligand‐Controlled Regiodivergent Cu‐Catalyzed Aminoboration of Unactivated Terminal Alkenes.
Authors: Sakae Ryosuke , Hirano Koji , Miura Masahiro
Published: October 2015

Functionalized alkylamines are obtained by reaction of unactivated terminal alkenes with diboron reagents and hydroxylamines.
ChemInform Abstract: Transformation of Azulenes to Bicyclic [4]Dendralene and Heptafulvene Derivatives via Photochemical Cycloaddition of Dialkylsilylene.
Authors: Kosai Tomoyuki , Ishida Shintaro , Iwamoto Takeaki
Published: October 2015

Regioselective cycloaddition of dialkylsilylene (II) upon irradiation at 440 nm converts azulene and guaiazulene to bicyclic [4]dendralene (III) and heptafulvene (V) derivatives, respectively.
ChemInform Abstract: Photoinduced Reductive Perfluoroalkylation of Phosphine Oxides: Synthesis of P‐Perfluoroalkylated Phosphines Using TMDPO and Perfluoroalkyl Iodides.
Authors: Sato Yuki , Kawaguchi Shin‐ichi , Ogawa Akiya
Published: October 2015

A photoinduced reaction of (diphenyl(2,4,6‐trimethylbenzoyl)‐phosphine oxide) and perfluoroalkyl iodides successfully affords P‐(perfluoroalkyl)diphenylphosphines as promising ligands for recyclable catalysts.
ChemInform Abstract: Copper‐Mediated Synthesis of Aryldifluoromethylphosphonates: A Sandmeyer Approach.
Authors: Bayle Alexandre , Cocaud Chloe , Nicolas Cyril , Martin Olivier R. , Poisson Thomas , Pannecoucke Xavier
Published: October 2015

The CuCF2‐PO(O‐Et)2 species, generated in situ under optimized mild conditions, reacts with various aryl diazonium salts to produce the synthetically and pharmaceutically important target compounds bearing various functionalities at the phenyl moiety.
ChemInform Abstract: Antiinflammatory Activity of Pyrrolizidine Alkaloids from the Leaves of Madhuca pasquieri (Dubard)
Authors: Hoang Le Son , Tran Manh Hung , Lee Joo Sang , To Dao Cuong , Nguyen Van Thu , Kim Jeong Ah , Lee Jeong Hyung , Woo Mi Hee , Min Byung Sun
Published: October 2015

isolation and structure elucidation of madhumidine A (I)
ChemInform Abstract: Fistulains A and B, New Bischromones from the Bark of Cassia fistula, and Their Activities.
Authors: Zhou Min , Zhou Kun , Gao Xue‐Mei , Jiang Zhi‐Yong , Lv Jun‐Jiang , Liu Zhi‐Hua , Yang Guang‐Yu , Miao Ming‐Ming , Che Chun‐Tao , Hu Qiu‐Fen
Published: October 2015

Fistulain A (I) displays anti‐TMV (tobacco mosaic virus) activity, and both Fistulains show weak cytotoxicity.
ChemInform Abstract: Structural Engineering of Electrocatalysts for the Hydrogen Evolution Reaction: Order or Disorder
Authors: Xie Junfeng , Xie Yi
Published: October 2015

Review: [60 refs.
ChemInform Abstract: Graphene‐Based Fibers: A Review
Authors: Meng Fancheng , Lu Weibang , Li Qingwen , Byun Joon‐Hyung , Oh Youngseok , Chou Tsu‐Wei
Published: October 2015

Review: 117 refs.
ChemInform Abstract: The Kirkendall Effect and Nanoscience: Hollow Nanospheres and Nanotubes
Authors: El Mel Abdel‐Aziz , Nakamura Ryusuke , Bittencourt Carla
Published: October 2015

Review: 78 refs.
ChemInform Abstract: Iterative Syntheses — The Gateway to New Automation Protocols
Authors: Hartwig Jan , Kirschning Andreas
Published: October 2015

Review: 8 refs.
ChemInform Abstract: Redox‐Active NOx Ligands in Palladium‐Mediated Processes
Authors: Fairlamb Ian J. S.
Published: October 2015

Review: [70 refs.
ChemInform Abstract: Basic Concepts of Using Solid Phase Synthesis to Build Small Organic Molecules Using 2‐Chlorotrityl Chloride Resin
Authors: Bonkowski Blake , Wieczorek Jason , Patel Mimansa , Craig Chelsea , Gravelin Alison , Boncher Tracey
Published: October 2015

Review: 22 refs.
ChemInform Abstract: Serine/Threonine Ligation for Natural Cyclic Peptide Syntheses
Authors: Lee Chi Lung , Lam Hiu Yung , Li Xuechen
Published: October 2015

Review: 46 refs.
ChemInform Abstract: O‐Glycosylation Methods in the Total Synthesis of Complex Natural Glycosides
Authors: Yang You , Zhang Xiaheng , Yu Biao
Published: October 2015

Review: 158 refs.
ChemInform Abstract: Transition‐Metal Catalyzed Synthesis of Organosulfur Compounds Using Single Bond Metathesis Reaction
Authors: Arisawa Mieko
Published: October 2015

Review: 30 refs.
ChemInform Abstract: Organic Chemistry: Light Opens Pathways for Nickel Catalysis
Authors: Murphy John J. , Melchiorre Paolo
Published: October 2015

Review: 12 refs.
ChemInform Abstract: Catalyst Design in the Alkane C‐H Bond Functionalization of Alkanes by Carbene Insertion with TpxM Complexes (Tpx = Hydrotrispyrazolylborate Ligand; M = Cu, Ag)
Authors: Caballero Ana , Perez Pedro J.
Published: October 2015

Review: 52 refs.
ChemInform Abstract: Recent Achievements in Intermolecular Sp3 C‐H Bond Functionalization of Organic Compounds by Superelectrophilic Trihalomethyl Metal Complex
Authors: Akhrem Irena S.
Published: October 2015

Review: 158 refs.
ChemInform Abstract: Polymer Mechanochemistry: From Destructive to Productive
Authors: Li Jun , Nagamani Chikkannagari , Moore Jeffrey S.
Published: October 2015

Review: 76 refs.
ChemInform Abstract: Synthesis of Monodisperse Sequence‐Defined Polymers Using Protecting‐Group‐Free Iterative Strategies
Authors: Trinh Thanh Tam , Laure Chloe , Lutz Jean‐Francois
Published: October 2015

Review: 81 refs.
ChemInform Abstract: Recent Developments in Chemistry of Phthalazines
Authors: Abu El‐Azm Fatma S. M. , Mahmoud Mahmoud R. , Hekal Mohamed H.
Published: October 2015

Review: 106 refs.
ChemInform Abstract: Conjugated Oligomers and Polymers Sheathed with Designer Side Chains
Authors: Pan Chengjun , Zhao Chunhui , Takeuchi Masayuki , Sugiyasu Kazunori
Published: October 2015

Review: [molecular design of insulated molecular wires and their unique photophysical, electronic, and mechanical properties; 70 refs.
ChemInform Abstract: Structures and Thermodynamic Properties of Ionic Liquids
Authors: Mu Tiancheng , Han Buxing
Published: October 2015

Review: [198 refs.]
ChemInform Abstract: Synergistic Carbon Dioxide Capture and Conversion in Porous Materials
Authors: Zhang Yugen , Lim Diane S. W.
Published: October 2015

Review: 45 refs.
ChemInform Abstract: Valence Bond Theory in Heterocyclic Chemistry
Authors: Rashid Zahid , Broer Ria , van Lenthe Joop H. , Havenith Remco W. A.
Published: October 2015

Review: 86 refs.
Fast Screening of Whole Blood Samples and Pharmaceutical Compounds for Enantiorecognition of Free L‐T3, L‐T4, and D‐T4
Authors: Mitrofan Grigorina , Stefan‐van Staden Raluca‐Ioana , Comnea‐Stancu Ionela Raluca , van Staden Jacobus Frederick , Bazylak Grzegorz , Kapnissi‐Christodoulou Constantina P. , Aboul‐Enein Hassan Y.
Published: October 2015

A fast screening method of whole blood was proposed for enantiorecognition of free L‐T3, L‐T4, and D‐T4. Stochastic microsensors based on four inulins (IN, IQ, TEX, and HD) immobilized on diamond paste (DP) were used for recognition of free L‐T3, L‐T4, and D‐T4. For the enantiorecognition of free L‐T4 and D‐T4 in whole blood and pharmaceutical samples, the best microsensor was the one based on TEX/DP (wide linear concentration ranges, and low limits of quantification). The best limit of detection for the assay of free L‐T3 (400 fmol/L) was recorded using the microsensors based on HD/DP, while for the assay of free L‐T4, and D‐T4 the best limit of determination (1 pmol/L) was recorded using the TX/DP‐based microsensor. For the enantiorecognition of free L‐T3 in whole blood and pharmaceutical samples the best microsensor was the one based on HD/DP (the wider linear concentration range, and the lower limit of quantification – of pmol/L magnitude order). For the enantiorecognition of free L‐T3 in whole blood and pharmaceutical samples the best microsensor was the one based on HD/DP (the wider linear concentration range, and the lower limit of quantification – of pmol/L magnitude order). Free L‐T3, L‐T4, and D‐T4 were recovered with high reliabilities in whole blood samples (recoveries higher than 99.00%, with RSD values lower than 1.00%) and pharmaceutical samples (recoveries higher than 95.00% with RSD values lower than 1.00%). Chirality 27:973–978, 2015. © 2015 Wiley Periodicals, Inc.
Stopped‐Flow Enantioselective HPLC‐CD Analysis and TD‐DFT Stereochemical Characterization of Methyl Trans‐3‐(3,4‐Dimethoxyphenyl)Glycidate
Authors: Tedesco Daniele , Fabini Edoardo , Barbakadze Vakhtang , Merlani Maia , Zanasi Riccardo , Chankvetadze Bezhan , Bertucci Carlo
Published: October 2015

Caffeic acid‐derived polyethers are a class of natural products isolated from the root extracts of comfrey and bugloss, which are endowed with intriguing pharmacological properties as anticancer agents. The synthesis of new polyether derivatives is achieved through ring‐opening polymerization of chiral 2,3‐disubstituted oxiranes, whose absolute configurations define the overall stereochemistry of the produced polymer. The absolute stereochemistry of one of these building blocks, methyl trans‐3‐(3,4‐dimethoxy‐phenyl)glycidate (3), was therefore characterized by the combination of enantioselective high‐performance liquid chromatography (HPLC), electronic circular dichroism (ECD) spectroscopy, and time‐dependent density functional theory (TD‐DFT) calculations. Initial efforts aiming at the isolation of enantiomers by means of a standard preparative HPLC protocol followed by offline ECD analysis failed due to unexpected degradation of the samples after collection. The stopped‐flow HPLC‐CD approach, by which the ECD spectra of enantiomers are measured online with the HPLC system, was applied to overcome this issue and allowed a fast, reliable, and chemical‐saving analysis, while avoiding the risks of sample degradation during the collection and processing of enantiomeric fractions. Subsequent TD‐DFT calculations identified ((2S,3R)-3 as the first eluted enantiomeric fraction on the Lux Cellulose‐2 column, therefore achieving a full stereochemical characterization of the chiral oxirane under investigation. Chirality 27:914–918, 2015. © 2015 Wiley Periodicals, Inc.
Myosin Id is required for planar cell polarity in ciliated tracheal and ependymal epithelial cells
Authors: Hegan Peter S. , Ostertag Eric , Geurts Aron M. , Mooseker Mark S.
Published: October 2015

In wild type (WT) tracheal epithelial cells, ciliary basal bodies are oriented such that all cilia on the cell surface beat in the same upward direction. This precise alignment of basal bodies and, as a result, the ciliary axoneme, is termed rotational planar cell polarity (PCP). Rotational PCP in the multi‐ciliated epithelial cells of the trachea is perturbed in rats lacking myosin Id (Myo1d). Myo1d is localized in the F‐actin and basal body rich subapical cortex of the ciliated tracheal epithelial cell. Scanning and transmission electron microscopy of Myo1d knock out (KO) trachea revealed that the unidirectional bending pattern is disrupted. Instead, cilia splay out in a disordered, often radial pattern. Measurement of the alignment axis of the central pair axonemal microtubules was much more variable in the KO, another indicator that rotational PCP is perturbed. The asymmetric localization of the PCP core protein Vangl1 is lost. Both the velocity and linearity of cilia‐driven movement of beads above the tracheal mucosal surface was impaired in the Myo1d KO. Multi‐ciliated brain ependymal epithelial cells exhibit a second form of PCP termed translational PCP in which basal bodies and attached cilia are clustered at the anterior side of the cell. The precise asymmetric clustering of cilia is disrupted in the ependymal cells of the Myo1d KO rat. While basal body clustering is maintained, left‐right positioning of the clusters is lost. © 2015 Wiley Periodicals, Inc.
Design, Synthesis, and Photophysical Properties of Pyrroloquinoline‐Based Compounds Showing Strong Blue Fluorescence as Potential Dyes for Biomedical Applications
Authors: Carta Davide , Balasso Anna , Caliceti Paolo , Ferlin Maria Grazia
Published: October 2015

A small library of 3‐ethylpyrrolo[3,2‐f]quinoline derivatives was synthesized to identify a novel class of dyes for use in biological studies. According to the spectroscopic analyses performed to evaluate the fluorimetric parameters of quantum yield and brightness, 7‐methyl‐ and 6,7‐dimethylpyrroloquinolin(9)one derivatives were found to be the best blue luminescent dyes for biological applications. To enhance the luminescence profiles and to obtain probes that could be conjugated to functional groups of supramolecular drug delivery systems, these compounds were further modified at position 3 to obtain 3‐heptanoic acid and 3‐aminohexylpyrroloquinolin(9)one methylated derivatives. The most brilliant 6,7‐dimethyl‐3‐aminohexylpyrroloquinolinone hydrochloride was conjugated to pullulan, a biocompatible polysaccharide used to produce colloidal systems for drug delivery. Comparative studies showed that this compound can be properly exploited as a blue fluorescent label in biological investigations, namely cell trafficking and pharmacokinetics/biodistribution studies. These molecules possess higher fluorescence efficiency than commercial dyes in biological media, making them suitable alternatives to commercially available products in current use.
Marital status, education, and income in relation to the risk of esophageal and gastric cancer by histological type and site
Authors: Lagergren Jesper , Andersson Gunnar , Talbäck Mats , Drefahl Sven , Bihagen Erik , Härkönen Juho , Feychting Maria , Ljung Rickard
Published: October 2015

BACKGROUND

Marital status, income, and education might influence the risk of esophageal and gastric cancer, but the literature is limited. A large study addressing subtypes of these tumors was used to clarify these associations.

METHODS

A nationwide, Swedish population–based cohort study from 1991 to 2010 included individuals who were 50 years old or older. Data on exposures, covariates, and outcomes were obtained from well‐maintained registers. Four esophagogastric tumor subtypes were analyzed in combination and separately: esophageal adenocarcinoma, esophageal squamous cell carcinoma, cardia adenocarcinoma, and noncardia gastric adenocarcinoma. Poisson regression was used to estimate incidence rate ratios (IRRs) and 95% confidence intervals (CIs). Analyses were stratified by sex and adjusted for confounders.

RESULTS

Among 4,734,227 participants (60,634,007 person‐years), 24,095 developed esophageal or gastric cancer. In comparison with individuals in a long marriage, increased IRRs were found among participants who were in a shorter marriage or were never married, remarried, divorced, or widowed. These associations were indicated for each tumor subtype but were generally stronger for esophageal squamous cell carcinoma. Higher education and income were associated with decreased IRRs in a seemingly dose‐response manner and similarly for each subtype. In comparison with the completion of only primary school, higher tertiary education rendered an IRR of 0.64 (95% CI, 0.60‐0.69) for men and an IRR of 0.68 (95% CI, 0.61‐0.75) for women. Comparing participants in the highest and lowest income brackets (highest 20% vs lowest 20%) revealed an IRR of 0.74 (95% CI, 0.70‐0.79) for men and an IRR of 0.83 (95% CI, 0.76‐0.91) for women.

CONCLUSIONS

Divorce, widowhood, living alone, low educational attainment, and low income increase the risk of each subtype of esophageal and gastric cancer. These associations require attention when high‐risk individuals are being identified. Cancer 2016;122:207–212. © 2015 American Cancer Society.
A benchmark for evaluation of algorithms for identification of cellular correlates of clinical outcomes
Authors: Aghaeepour Nima , Chattopadhyay Pratip , Chikina Maria , Dhaene Tom , Van Gassen Sofie , Kursa Miron , Lambrecht Bart N. , Malek Mehrnoush , McLachlan G. J. , Qian Yu , Qiu Peng , Saeys Yvan , Stanton Rick , Tong Dong , Vens Celine , Walkowiak Sławomir , Wang Kui , Finak Greg , Gottardo Raphael , Mosmann Tim , Nolan Garry P. , Scheuermann Richard H. , Brinkman Ryan R.
Published: October 2015

The Flow Cytometry: Critical Assessment of Population Identification Methods (FlowCAP) challenges were established to compare the performance of computational methods for identifying cell populations in multidimensional flow cytometry data. Here we report the results of FlowCAP‐IV where algorithms from seven different research groups predicted the time to progression to AIDS among a cohort of 384 HIV+ subjects, using antigen‐stimulated peripheral blood mononuclear cell (PBMC) samples analyzed with a 14‐color staining panel. Two approaches (FlowReMi.1 and flowDensity‐flowType‐RchyOptimyx) provided statistically significant predictive value in the blinded test set. Manual validation of submitted results indicated that unbiased analysis of single cell phenotypes could reveal unexpected cell types that correlated with outcomes of interest in high dimensional flow cytometry datasets. © 2015 International Society for Advancement of Cytometry
Axonal PPARγ promotes neuronal regeneration after injury
Authors: Lezana Juan Pablo , Dagan Shachar Y. , Robinson Ari , Goldstein Ronald S. , Fainzilber Mike , Bronfman Francisca C. , Bronfman Miguel
Published: October 2015

PPARγ is a ligand‐activated nuclear receptor best known for its involvement in adipogenesis and glucose homeostasis. PPARγ activity has also been associated with neuroprotection in different neurological disorders, but the mechanisms involved in PPARγ effects in the nervous system are still unknown. Here we describe a new functional role for PPARγ in neuronal responses to injury. We found both PPAR transcripts and protein within sensory axons and observed an increase in PPARγ protein levels after sciatic nerve crush. This was correlated with increased retrograde transport of PPARγ after injury, increased association of PPARγ with the molecular motor dynein, and increased nuclear accumulation of PPARγ in cell bodies of sensory neurons. Furthermore, PPARγ antagonists attenuated the response of sensory neurons to sciatic nerve injury, and inhibited axonal growth of both sensory and cortical neurons in culture. Thus, axonal PPARγ is involved in neuronal injury responses required for axonal regeneration. Since PPARγ is a major molecular target of the thiazolidinedione (TZD) class of drugs used in the treatment of type II diabetes, several pharmaceutical agents with acceptable safety profiles in humans are available. Our findings provide motivation and rationale for the evaluation of such agents for efficacy in central and peripheral nerve injuries. © 2015 Wiley Periodicals, Inc. Develop Neurobiol 76: 688–701, 2016
Electrochemical and Computational Study of the Reactivity of a Diiron Azadithiolate Complex towards Protons in the Presence of Coordinating Anions
Authors: Bourrez Marc , Gloaguen Frederic
Published: October 2015

In a continued effort to gain understanding of the impact of the second coordination sphere on the catalytic activity of the FeFe‐H2ase models, we report the results of an electrochemical and computational study of the reactivity of [Fe2(μ‐adtH)(CO)6] {1, adtH = (SCH2)2NH} towards protons in the presence of coordinating anions. The voltammetric behavior of 1 in the presence of HCl (pKa ≈ 9.5) in Bu4NPF6/MeCN is very similar to that of adtR derivatives in the presence of HBF4·Et2O (pKa ≈ 3), suggesting an effect of coordinating anion (i.e. Cl– or BF4–) rather than an effect of acid strength on the catalytic pathway. This hypothesis is supported by DFT calculations, which indicate a weak but significant interaction between Cl– and the proton of the amine group the closest to the metal center in the N‐protonated and reduced form of 1.
Diboranyl Phosphonium Cations: Synthesis and Chemical Properties
Authors: Litters Sebastian , Ganschow Michael , Kaifer Elisabeth , Himmel Hans‐Jörg
Published: October 2015

Hydride abstraction from the diborane [HB(hpp)]2 (hpp = 1,3,4,6,7,8‐hexahydro‐2H‐pyrimido[1,2‐a]pyrimidinate) followed by base stabilization led to the first (highly water sensitive) diboranyl phosphonium cations of the general formulas [HB(hpp)2BPR3]+ and [HB(hpp)2BPHR2]+. The B–P bond strength could be varied over a relatively large range by choice of the substituents R on the phosphine. The cation [HB(hpp)2BPCy3]+ (Cy = cyclohexyl) was structurally characterized. The PCy3 base of this cation could be substituted by a stronger base (a carbene or a bicyclic guanidine). In solution, [HB(hpp)2BPCy3]+ very slowly decomposes, and [HB(hpp)3BH]+ was identified as one of the decomposition products.
Luminescent Thermochromism in a Gold(I)–Copper(I) Phosphine–Pyridine Complex
Authors: Chen Kelly , Catalano Vincent J.
Published: October 2015

The AuI complex [Au(Ph2PCH2py)2]BF4 (1) was prepared by mixing (tetrahydrothiophene)gold(I) chloride with 2‐[(diphenylphosphino)methyl]pyridine (Ph2PCH2py) in dichloromethane. The addition of [Cu(NCCH3)4]BF4 to 1 produced green‐luminescent [AuCu(Ph2PCH2py)2(NCCH3)2](BF4)2 (2). When crystals of 2 were exposed to air, two acetonitrile molecules were lost to form crystals of yellow‐luminescent [AuCu(Ph2PCH2py)2](BF4)2 (3). This simple solvent loss perturbs the environment around the CuI center, and the Au···Cu distance shortens from 3.3 to 2.8 Å. Crystallization of 2 or 3 from dichloromethane produced the two‐coordinate CuI–solvate complex, [AuCu(Ph2PCH2py)2](BF4)2·CH2Cl2 (3·CH2Cl2). Compound 3 exhibits temperature‐dependent emissions from 77 to 298 K (543 nm), 298 to 343 K (551 nm), and above 343 K (505 nm) that is reversed upon return to room temperature. The low‐temperature emission is typical of complexes with luminescent rigidochromic properties. However, based on differential scanning calorimetry, a phase change is responsible for the high‐temperature emission of 3.
Palladium‐ and Nickel‐Catalyzed Synthesis of Sodium Acrylate from Ethylene, CO2, and Phenolate Bases: Optimization of the Catalytic System for a Potential Process
Authors: Manzini Simone , Huguet Núria , Trapp Oliver , Schaub Thomas
Published: October 2015

The synthesis of sodium acrylate through catalytic carboxylation of ethylene with CO2 in the presence of a base is a reaction of high interest. To develop a more efficient and sustainable method to access this valuable acrylate monomer, we optimized the system in a one‐step homogeneous nickel‐ or palladium‐catalyzed reaction, without the need for stoichiometric amounts of an additional reducing agent. Suitable nontoxic solvents such as anisole instead of the previously reported tetrahydrofuran or chlorobenzene were found to lead to acrylate formation. In combination with appropriate phenolate bases, this could allow a rational process concept for a simple catalyst recycling, product separation, and base regeneration.
Responses to exclusion are moderated by its perceived fairness
Authors: Tuscherer Taylor , Sacco Donald F. , Wirth James H. , Claypool Heather M. , Hugenberg Kurt , Wesselmann Eric D.
Published: October 2015

Experimental exclusion manipulations may induce exclusion in a way that participants perceive as unfair. Groups often use exclusion punitively to correct inappropriate behavior, however, which may lead to perceptions that it is potentially justified or fair. The current studies examined if individuals' perceptions of fairness with respect to an exclusion experience moderated their reactions. Participants wrote about or imagined a time in which they were excluded after they did something wrong (fair exclusion) or excluded even though they did nothing wrong (unfair exclusion) or about a mundane experience unrelated to exclusion (control). Compared with fair exclusion, unfair exclusion resulted in significantly weaker efficacy needs satisfaction (Studies 1, 2, and 4), greater antisocial intent (Study 3), and greater sensitivity to signs of interpersonal acceptance and rejection in a visual search task (Study 4). These results suggest that it is important to consider the role of perceived fairness in shaping responses to exclusion.
The influence of solar‐induced thermal stresses on the mechanical weathering of rocks in humid mid‐latitudes
Authors: Aldred Jennifer , Eppes Martha Cary , Aquino Kimberly , Deal Rebecca , Garbini Jacob , Swami Suraj , Tuttle Alea , Xanthos George
Published: October 2015

The role of solar‐induced thermal stresses in the mechanical breakdown of rock in humid‐temperate climates has remained relatively unexplored. In contrast, numerous studies have demonstrated that cracks in rocks found in more arid mid‐latitude locations exhibit preferred northeast orientations that are interpreted to be a consequence of insolation‐related cracking. Here we hypothesize that similar insolation‐related mechanisms may be efficacious in humid temperate climates, possibly in conjunction with other mechanical weathering processes. To test this hypothesis, we collected rock and crack data from a total of 310 rocks at a forested field site in North Carolina (99 rocks, 266 cracks) and at forested and unforested field sites in Pennsylvania (211 rocks, 664 cracks) in the eastern United States. We find that overall, measured cracks exhibit statistically preferred strike orientations (47° ± 16), as well as dip angles (52° ± 24°), that are similar in most respects to comparable datasets from mid‐latitude deserts. There is less variance in strike orientations for larger cracks suggesting that cracks with certain orientations are preferentially propagated through time. We propose that diurnally repeating geometries of solar‐related stresses result in propagation of those cracks whose orientations are favorably oriented with respect to those stresses. We hypothesize that the result is an oriented rock heterogeneity that acts as a zone of weakness much like bedding or foliation that can, in turn, be exploited by other weathering processes. Observed crack orientations vary somewhat by location, consistent with this hypothesis given the different latitude and solar exposure of the field sites. Crack densities vary between field sites and are generally higher on north‐facing boulder‐faces and in forested sites, suggesting that moisture‐availability also plays a role in dictating cracking rates. These data provide evidence that solar‐induced thermal stresses facilitate mechanical weathering in environments where other processes are also likely at play. Copyright © 2015 John Wiley & Sons, Ltd.