bluuebunny/crossref_metadata_2025 huggingface dataset:
Intermolecular and Intracomplex Photoinduced Electron Transfer from Planar and Nonplanar Metalloporphyrins to p‐Quinones
Authors: Kanematsu Masanori , Naumov Panče , Kojima Takahiko , Fukuzumi Shunichi
Published: September 2011

The rate constants of intermolecular photoinduced electron transfer from triplet excited states of metalloporphyrins to a series of p‐benzoquinone derivatives in benzonitrile were determined to examine the effects of the driving force, the metal, and the conformational distortion of the porphyrin ring on the reorganization energies (λ) of electron transfer by laser flash photolysis. The λ values were evaluated from the determined rate constants on the basis of the Marcus theory of electron transfer. The λ values of planar metalloporphyrins, [Al(TPP)(PhCOO)] and [Zn(TPP)] (TPP2−=tetraphenylporphyrin dianion), are approximately the same, but they are 0.27 eV smaller than those of the corresponding nonplanar (saddle‐distorted) metalloporphyrins [Al(DPP)(PhCOO)] and [Zn(DPP)] (DPP2−=dodecaphenylporphyrin dianion) when they are compared for the same driving force of photoinduced electron transfer. The axial ligand PhCOO− of [Al(TPP)]+ and [Al(DPP)]+ was replaced by anthraquinone‐2‐carboxylate (AqCOO−) to afford the electron donor–acceptor complexes [Al(TPP)(AqCOO)] and [Al(DPP)(AqCOO)], respectively. The X‐ray crystal structure of [Al(TPP)(AqCOO)] revealed strong coordination of AqCOO− to the Al3+ ion of [Al(TPP)]+ and the existence of π–π interactions between AqCOO− and the porphyrin ring. In the case of the saddle‐distorted [Al(DPP)(AqCOO)], however, the AqCOO− moiety is nearly perpendicular to the porphyrin ring. The photodynamics of intracomplex photoinduced electron transfer from the singlet excited state of [Al(TPP)]+ and [Al(DPP)]+ to the AqCOO− moiety were also examined in comparison with the intermolecular photoinduced electron‐transfer reactions, and the determined rate constants were evaluated in light of the Marcus theory of electron transfer to reveal that the electron transfer is adiabatic in each case.
Synthesis, Structure, and Glutathione Peroxidase‐Like Activity of Amino Acid Containing Ebselen Analogues and Diaryl Diselenides
Authors: Selvakumar Karuthapandi , Shah Poonam , Singh Harkesh B. , Butcher Ray J.
Published: September 2011

The synthesis of some ebselen analogues and diaryl diselenides, which have amino acid functions as an intramolecularly coordinating group (Se⋅⋅⋅O) has been achieved by the DCC coupling procedure. The reaction of 2,2′‐diselanediylbis(5‐tert‐butylisophthalic acid) or the activated ester tetrakis(2,5‐dioxopyrrolidin‐1‐yl) 2,2′‐diselanediylbis(5‐tert‐ butylisophthalate) with different C‐protected amino acids (Gly, L‐Phe, L‐Ala, and L‐Trp) afforded the corresponding ebselen analogues. The used precursor diselenides have been found to undergo facile intramolecular cyclization during the amide bond formation reaction. In contrast, the DCC coupling of 2,2′‐diselanediyldibenzoic acid with C‐protected amino acids (Gly, L/D‐Ala and L‐Phe) affords the corresponding amide derivatives and not the ebselen analogues. Some of the representative compounds have been structurally characterized by single‐crystal X‐ray crystallography. The glutathione peroxidase (GPx)‐like activities of the ebselen analogues and the diaryl diselenides have been evaluated by using the coupled reductase assay method. Intramolecularly stabilized ebselen analogues show slightly higher maximal velocity (Vmax) than ebselen. However, they do not show any GPx‐like activity at low GSH concentrations at which ebselen and related diselenides are active. This could be attributed to the peroxide‐mediated intramolecular cyclization of the corresponding selenenyl sulfide and diaryl diselenide intermediates generated during the catalytic cycle. Interestingly, the diaryl diselenides with alanine (l,l or d,d) amide moieties showed excellent catalytic efficiency (kcat/KM) with low KM values in comparison to the other compounds.
Highly Porous, Water‐Soluble, Superparamagnetic, and Biocompatible Magnetite Nanocrystal Clusters for Targeted Drug Delivery
Authors: Dong Fuping , Guo Wanping , Bae Jae‐Ho , Kim Sun‐Hee , Ha Chang‐Sik
Published: September 2011

Magnetic particles have become very promising materials for drug delivery. However, preparation of magnetite particles with high surface area, biocompatibility, strong magnetic response, and suitable particle size still remains a major challenge. In this report, magnetite nanocrystal clusters with high surface areas were fabricated through a solvothermal process by introducing ammonium acetate as a porogen and trisodium citrate as a surface modification agent. The porosity, which was controlled by the reactant concentration, has been investigated in detail. The surface area of the nanocrystal clusters was as high as 141 m2g−1. Ibuprofen, as a model drug, was entrapped into the magnetite carriers. The interfacial interaction between the carboxylic groups on the drug molecules and the carboxylate groups on the carriers enhanced the loading efficiency. Low cytotoxicity in MCF‐7 cell and in vitro constant drug release behavior combined with the high drug loading efficiency and high saturation magnetization values demonstrated the potential of the as‐synthesized magnetite materials in targeted drug release systems.
A Microenvironment‐Sensitive Fluorescent Pyrimidine Ribonucleoside Analogue: Synthesis, Enzymatic Incorporation, and Fluorescence Detection of a DNA Abasic Site
Authors: Tanpure Arun A. , Srivatsan Seergazhi G.
Published: September 2011

Base‐modified fluorescent ribonucleoside‐analogue probes are valuable tools in monitoring RNA structure and function because they closely resemble the structure of natural nucleobases. Especially, 2‐aminopurine, a highly environment‐sensitive adenosine analogue, is the most extensively utilized fluorescent nucleoside analogue. However, only a few isosteric pyrimidine ribonucleoside analogues that are suitable for probing the structure and recognition properties of RNA molecules are available. Herein, we describe the synthesis and photophysical characterization of a small series of base‐modified pyrimidine ribonucleoside analogues derived from tagging indole, N‐methylindole, and benzofuran onto the 5‐position of uracil. One of the analogues, based on a 5‐(benzofuran‐2‐yl)pyrimidine core, shows emission in the visible region with a reasonable quantum yield and, importantly, displays excellent solvatochromism. The corresponding triphosphate substrate is effectively incorporated into oligoribonucleotides by T7 RNA polymerase to produce fluorescent oligoribonucleotide constructs. Steady‐state and time‐resolved spectroscopic studies with fluorescent oligoribonucleotide constructs demonstrate that the fluorescent ribonucleoside photophysically responds to subtle changes in its environment brought about by the interaction of the chromophore with neighboring bases. In particular, the emissive ribonucleoside, if incorporated into an oligoribonucleotide, positively reports the presence of a DNA abasic site with an appreciable enhancement in fluorescence intensity. The straightforward synthesis, amicability to enzymatic incorporation, and sensitivity to changes in the microenvironment highlight the potential of the benzofuran‐conjugated pyrimidine ribonucleoside as an efficient fluorescent probe to investigate nucleic acid structure, dynamics, and recognition events.
External‐Energy‐Independent Polymer Capsule Motors and Their Cooperative Behaviors
Authors: Zhao Guanjia , Seah Tzu Hui , Pumera Martin
Published: September 2011

The design and development of mobile nano‐, micro‐, and millimeter‐scale autonomous systems have been perused over several decades. Here, we introduce a millimeter‐sized polymer capsule motor with specific features and functionalities. It runs without any external energy sources or the consumption of external fuels such as H2O2 or glucose. The occurrence of motion is due to the asymmetric release of organic solvent from the capsule and the asymmetric change in the surface tension of the surrounding liquid. The capsule moves from a place of lower surface tension to a place of higher surface tension (Marangoni effect) in an attempt by the system to attain the desirable lowest‐free‐energy state. The operation of the motor is versatile in terms of the environment, as it moves on a wide variety of liquid/air interfaces, including water, sea water, organic solvent/water mixtures, and acids. A high‐motion velocity was observed, with a travelling distance of over 20 meters. The manipulation of its motion was achieved upon functionalization with nickel powder and application of an external magnetic field. Long‐range interaction behaviors and surface‐cleaning effects due to the chemotaxis effect were also demonstrated when the capsule was functionalized with sodium dodecyl sulfate (SDS). We believe that a plethora of applications can be envisioned with this motor, such as cargo delivery, manipulation of matter, sensing and detection, biorecognition, and environmental remediation.
Methanesulfonates of High‐Valent Metals: Syntheses and Structural Features of MoO2(CH3SO3)2, UO2(CH3SO3)2, ReO3(CH3SO3), VO(CH3SO3)2, and V2O3(CH3SO3)4 and Their Thermal Decomposition under N2 and O2 Atmosphere
Authors: Betke Ulf , Neuschulz Kai , Wickleder Mathias S.
Published: September 2011

Oxide methanesulfonates of Mo, U, Re, and V have been prepared by reaction of MoO3, UO2(CH3COO)2⋅2 H2O, Re2O7(H2O)2, and V2O5 with CH3SO3H or mixtures thereof with its anhydride. These compounds are the first examples of solvent‐free oxide methanesulfonates of these elements. MoO2(CH3SO3)2 (Pbca, a=1487.05(4), b=752.55(2), c=1549.61(5) pm, V=1.73414(9) nm3, Z=8) contains [MoO2] moieties connected by [CH3SO3] ions to form layers parallel to (100). UO2(CH3SO3)2 (P21/c, a=1320.4(1), b=1014.41(6), c=1533.7(1) pm, β=112.80(1)°, V=1.8937(3) nm3, Z=8) consists of linear UO22+ ions coordinated by five [CH3SO3] ions, forming a layer structure. VO(CH3SO3)2 (P21/c, a=1136.5(1), b=869.87(7), c=915.5(1) pm, β=113.66(1)°, V=0.8290(2) nm3, Z=4) contains [VO] units connected by methanesulfonate anions to form corrugated layers parallel to (100). In ReO3(CH3SO3) (${P\bar 1}$, a=574.0(1), b=1279.6(3), c=1641.9(3) pm, α=102.08(2), β=96.11(2), γ=99.04(2)°, V=1.1523(4) nm3, Z=8) a chain structure exhibiting infinite O[ReO2]O[ReO2]O chains is formed. Each [ReO2]O[ReO2] unit is coordinated by two bidentate [CH3SO3] ions. V2O3(CH3SO3)4 (I2/a, a=1645.2(3), b=583.1(1), c=1670.2(3) pm, β=102.58(3), V=1.5637(5) pm3, Z=4) adopts a chain structure, too, but contains discrete [VO]O[VO] moieties, each coordinated by two bidentate [CH3SO3] ligands. Additional methanesulfonate ions connect the [V2O3] groups along [001]. Thermal decomposition of the compounds was monitored under N2 and O2 atmosphere by thermogravimetric/differential thermal analysis and XRD measurements. Under N2 the decomposition proceeds with reduction of the metal leading to the oxides MoO2, U3O7, V4O7, and VO2; for MoO2(CH3SO3)2, a small amount of MoS2 is formed. If the thermal decomposition is carried out in a atmosphere of O2 the oxides MoO3 and V2O5 are formed.
ChemInform Abstract: Dielectric Properties of Iron Doped Calcium Copper Titanate, CaCu2.9Fe0.1Ti4O12.
Authors: Rai Alok Kumar , Singh Nitish Kumar , Lee Sang‐Kwon , Mandal K. D. , Kumar D. , Parkash Om
Published: September 2011

The title compound is prepared by evaporation of a stoichiometric solution of Ca(NO3)2, Cu(NO3)2, Fe(NO3)3, TiO2, and citric acid at 70—80 °C, followed by calcination of the obtained gel in air (800 and 900 °C, 6 h each).
ChemInform Abstract: Prediction of Formation of Cubic Boron Nitride by Construction of Temperature—Pressure Phase Diagram at the Nanoscale.
Authors: Hu Shengliang , Yang Jinlong , Liu Wei , Dong Yingge , Cao Shirui , Liu Jun
Published: September 2011

The size‐dependent temperature—pressure phase diagram of BN is constructed on the basis of nanothermodynamic theory.
ChemInform Abstract: Preculiarities of Component Interaction in {Gd, Er}—V—Sn Ternary Systems at 870 K and Crystal Structure of RV6Sn6 Stannides.
Authors: Romaka L. , Stadnyk Yu. , Romaka V. V. , Demchenko P. , Stadnyshyn M. , Konyk M.
Published: September 2011

Phase equilibria in the title systems are studied at 870 K by powder XRD and SEM.
ChemInform Abstract: Photocatalytic Properties of KBiO3 and LiBiO3 with Tunnel Structures.
Authors: Ramachandran Rajalakshmi , Sathiya M. , Ramesha K. , Prakash A. S. , Madras Giridhar , Shukla A. K.
Published: September 2011

KBiO3 is synthesized by oxidation of Bi2O3 with Br2 in 50% aq.
ChemInform Abstract: New Members of Ternary Rare‐Earth Metal Boride Carbides Containing Finite Boron—Carbon Chains: Ln25B14C26 (Ln: Pr, Nd) and Nd25B12C28.
Authors: Babizhetskyy Volodymyr , Mattausch Hansjuergen , Simon Arndt , Gautier Regis , Halet Jean‐Francois
Published: September 2011

The title compounds are prepared by co‐melting the elements followed by heating under Ar for 24 h at 1350, 1670, and 1550 K for Pr25B14C26, Nd25B14C26, and Nd25B12C28, respectively, and annealing at 1200 K for one month.
ChemInform Abstract: NdHO, a Novel Oxyhydride.
Authors: Wideroee Marius , Fjellvaag Helmer , Norby Truls , Poulsen Finn Willy , Berg Rolf Willestofte
Published: September 2011

NdHO is synthesized by solid state reaction of CaH2 or NdH3 and Nd2O3 (Ar/7% H2, 650 °C, 20 h) and characterized by neutron powder diffraction and Raman spectroscopy.
ChemInform Abstract: The Crystal Chemistry of Four Thorium Sulfates.
Authors: Albrecht Amanda J. , Sigmon Ginger E. , Moore‐Shay Laura , Wei Rebecca , Dawes Colleen , Szymanowski Jennifer , Burns Peter C.
Published: September 2011

Single crystal XRD shows that (II) crystallizes in the space group P21/m with Z = 2, (IV) in the space group Pna21 with Z = 4, (V) in the space group C2/c with Z = 4, and (VI) in the space group Pnma with Z = 4.
ChemInform Abstract: Preparation of a New Pyrochlore‐Type Compound Na0.32Bi1.68Ti2O6.46 (OH)0.44 by Hydrothermal Reaction.
Authors: Dong Qiang , Jiang Hong , Kumada Nobuhiro , Yonesaki Yoshinori , Takei Takahiro , Kinomura Nobukazu
Published: September 2011

The title compound is hydrothermally synthesized from a mixture of TiO2 (anatase), Bi2O3, and NaOH in the molar ratio of Na:Bi:Ti = 2:0.5:1 (H2O, 240 °C, autoclave, 48 h).
ChemInform Abstract: The —NH—(C=)—Br Functionality of Heteroaromatic Compounds as a Synthon for Fused Dihydrooxazoles.
Authors: Cegla Marek T. , Baran Marzena , Czarny Agnieszka , Zylewski Marek , Potaczek Joanna , Klenc Jeff , Strekowski Lucjan
Published: September 2011

The compounds (III) and (V) are stable dihydrooxazoles, whereas the reaction of the compound (VI) leads to an unstable dihydrooxazole, which undergoes rearrangement to the compound (VII).
ChemInform Abstract: Asymmetric Transfer Hydrogenation of Aromatic Ketones Using Rhodium Complexes of Chiral N‐Heterocyclic Carbenes Derived from (S)‐Pyroglutamic Acid.
Authors: Aupoix Audrey , Bournaud Chloee , Vo‐Thanh Giang
Published: September 2011

Moderate to good enantioselectivities (up to 80% e.e.) are achieved in the transfer hydrogenation of aromatic ketones (I) in iPrOH in the presence of an in situ generated chiral pyrrolidinylmethylimidazolylidene—Rh(I) catalyst.
ChemInform Abstract: Diastereoselectively Switchable Enantioselective Trapping of Carbamate Ammonium Ylides with Imines.
Authors: Jiang Jun , Xu Hua‐Dong , Xi Jian‐Bei , Ren Bai‐Yan , Lv Feng‐Ping , Guo Xin , Jiang Li‐Qin , Zhang Zhi‐Yong , Hu Wen‐Hao
Published: September 2011

Three‐component Mannich‐type reaction of diazoacetates (I) and (VI) with carbamate (III) and imines (II) and (VII) in the presence of a chiral phosphoric acid—Rh catalyst provides access towards enantioenriched α‐substituted α,β‐diamino acid derivatives.
ChemInform Abstract: Asymmetric Hydrocyanation of α,β‐Unsaturated Ketones into β‐Cyano Ketones with the [Ru(phgly)2(binap)]/C6H5OLi Catalyst System.
Authors: Kurono Nobuhito , Nii Noriyuki , Sakaguchi Yusuke , Uemura Masato , Ohkuma Takeshi
Published: September 2011

An efficient asymmetric conjugate addition of in situ generated HCN towards α,β‐unsaturated ketones is presented.
ChemInform Abstract: An Efficient Multicomponent Stereoselective Synthesis of 1,2,4‐Trisubstituted 1,3‐Thiazetidines.
Authors: Rai Ankita , Yadav Lal Dhar S.
Published: September 2011

The process affords the pharmaceutically important ring system with excellent cis‐selectivity (<90% d.e.
ChemInform Abstract: Solvent Controlled Mechanistic Dichotomy in a Au(III)‐Catalyzed, Heterocyclization Triggered, Nazarov Reaction.
Authors: Krafft Marie E. , Vidhani Dinesh V. , Cran John W. , Manoharan Mariappan
Published: September 2011

A variety of cyclopentafurans (VII) is readily prepared by gold‐catalyzed heterocyclization/Nazarov cyclization.
ChemInform Abstract: Palladium‐Catalyzed Stereoselective Synthesis of 3‐(Aminomethylene)‐oxindoles.
Authors: Bararjanian Morteza , Hosseinzadeh Saeedeh , Balalaie Saeed , Bijanzadeh Hamid Reza , Wolf Eckardt
Published: September 2011

Ugi four‐component reaction and direct carbopalladative cyclization—Buchwald reaction sequence permits a convenient synthesis of the title compounds.
ChemInform Abstract: Rapid Synthesis of Diversely Functionalized 3,4,7‐Trisubstituted Indoles.
Authors: Grant Seth W. , Gallagher Timothy F. , Bobko Mark A. , Duquenne Celine , Axten Jeffrey M.
Published: September 2011

Indoles, represented by structure (V), are required for medicinal investigations.
ChemInform Abstract: Direct Annulation and Alkylation of Indoles with 2‐Aminobenzyl Alcohols Catalyzed by TFA.
Authors: Robertson Forest J. , Kenimer Bradshaw D. , Wu Jimmy
Published: September 2011

A simple procedure is developed for the direct preparation of 5,6‐fused indoline aminals (III) and (V) from 3‐substituted indoles as subunits of alkaloids.
ChemInform Abstract: Ammonium Metavanadate as an Efficient Catalyst for the Synthesis of 2,4,5‐Triaryl‐1H‐imidazoles.
Authors: Niralwad Kirti S. , Shingate Bapurao B. , Shingare Murlidhar S.
Published: September 2011

The title compounds (III) and (V) are synthesized in an one‐pot three component condensation by using an inexpensive, mild, recoverable, and reusable catalyst.
ChemInform Abstract: Palladium‐Catalyzed Direct Arylations of Azoles with Aryl Silicon and Tin Reagents.
Authors: Han Wei , Mayer Peter , Ofial Armin R.
Published: September 2011

The reaction selectively proceeds at the C‐2 position of the azole.
ChemInform Abstract: Diastereoselective Synthesis of Functionalized 2‐Methyltetrahydropyran‐4‐ones.
Authors: Clarke Paul A. , Sellars Philip B. , Mistry Nimesh
Published: September 2011

A modified Maitland—Japp reaction using acetamide derivative (II) instead of an aldehyde produces dihydropyranones, which can be diastereoselectively reduced to the corresponding 2,6‐cis‐isomers.
ChemInform Abstract: 1,3,5‐Trichloro‐2,4,6‐triazinetrion: A Versatile Heterocycle for the One‐Pot Synthesis of 14‐Aryl‐ or Alkyl‐14H‐dibenzo[a,j]xanthene, 1,8‐Dioxooctahydroxanthene and 12‐Aryl‐8,9,10,12‐tetrahydrobenzo[a]xanthene‐11‐one Derivatives under Solvent‐Free Conditions.
Authors: Maleki Behrooz , Gholizadeh Mostafa , Sepehr Zeinalabedin
Published: September 2011

A facile, clean, green, efficient, and environmentally friendly protocol for the synthesis of the title compounds (III), (V), (VI), and (VIII) is presented.
ChemInform Abstract: Synthesis of New Vinylpyridium Salts.
Authors: Posada Paloma , Brana Miguel F. , Villarino Antonio L. , Dominguez Vicente , Ortuno Ismael , Martinez Carmen
Published: September 2011

Base‐catalyzed reaction of pyridinium salts (I) with aryl aldehydes results in the formation of both condensation (III) and dimerization products (IV), in general.
ChemInform Abstract: (.+‐.)‐2‐Aryl‐2,3‐dihydro‐4(1H)‐quinolinones by a Tandem Reduction—Michael Addition Reaction.
Authors: Bunce Richard A. , Nammalwar Baskar
Published: September 2011

2,3‐Dihydro‐4(1H)‐quinolinone derivatives of type (V) and (IX) are prepared via reductive cyclization of o‐nitrophenylpropenone (IV) or related 2‐nitrochalcone derivatives (VIII) using Fe‐powder in conc.
ChemInform Abstract: Synthesis of β‐ and γ‐Carbolines via Ruthenium and Rhodium Catalyzed [2 + 2 + 2] Cycloadditions of Yne‐Ynamides with Methylcyanoformate.
Authors: Nissen Felix , Richard Vincent , Alayrac Carole , Witulski Bernhard
Published: September 2011

The direction of the [2 + 2 + 2] cycloaddition of yne‐ynamides with methyl cyanoformate leading to β‐ and/or γ‐carbolines depends on the structure of the yne‐ynamide and the type of catalyst used.
ChemInform Abstract: (Z)‐(2‐Bromovinyl)‐MIDA Boronate: A Readily Accessible and Highly Versatile Building Block for Small Molecule Synthesis.
Authors: Woerly Eric M. , Struble Justin R. , Palyam Nagarjuna , O'Hara Sean P. , Burke Martin D.
Published: September 2011

The synthesis of the bifunctional (Z)‐olefin building block (II) is developed and the utility the product in a variety of Pd‐catalyzed cross‐coupling reactions is demonstrated.
ChemInform Abstract: Chalcogen‐Containing Heterocycles. Part 34. Tandem Addition—Cyclization of o‐Ethynylphenyllithiums and Isoselenocyanates: A Covenient Preparation of Functionalized Benzo[c]selenophenes.
Authors: Kaname Mamoru , Sashida Haruki
Published: September 2011

The process is extended to the iodo derivative (VII), which is amenable to Pd‐catalyzed cross‐coupling reactions.
ChemInform Abstract: First Total Synthesis of Tenuifolin via PIFA‐Mediated Oxidative Biaryl Coupling.
Authors: Tang Changhua , Li Ziyuan , Wang Yiyun , Xu Jinyi , Kong Lingyi , Yao Hequan , Wu Xiaoming
Published: September 2011

Different strategies to synthesize the olefin precursor mixture (II) are investigated.
ChemInform Abstract: Halichonadins G—J; New Sesquiterpenoids from a Sponge Halichondria sp.
Authors: Suto Shohei , Tanaka Naonobu , Fromont Jane , Kobayashi Jun'ichi
Published: September 2011

Halichonadin G (Ia) and I (II) are found to exhibit cytotoxicity, whereas H (Ib) and J (III) are inactive.
ChemInform Abstract: Steroids from the South China Sea Gorgonian Coral Muricella flexuosa
Authors: Wang Ping , Qi Shu‐Hua , Liu Kai‐Sheng , Huang Li‐Si , He Fei , Wang Yi‐Fei
Published: September 2011

isolation, structure determination and cytotoxicity of four new steroidal glycosides, muricellasteroids A—D (I), and related muricellasteroid E (II)
ChemInform Abstract: Inhibition of Invasion and Capillary‐Like Tube Formation by Retrohydroxamate‐Based MMP Inhibitors.
Authors: Lee Seung‐Taek , et al. et al.
Published: September 2011

Compounds (Ic) and (Id) inhibit effectively chemo‐invasion of HT‐1080 cells and tube formation of HUVECs.
ChemInform Abstract: Synthesis and Importance of Bulky Aromatic Cap of Novel SAHA Analogues for HDAC Inhibition and Anticancer Activity.
Authors: Chun Pusoon , Kim Won Hee , Kim Jungsu , Kang Jin‐Ah , Lee Hye Jin , Park Ji Young , Ahn Mee Young , Kim Hyung Sik , Moon Hyung Ryong
Published: September 2011

Compounds (Ib)—(Id) exhibit a higher inhibitory activity on total HDACs, HDAC1, HDAC2, and HDAC7 and higher anticancer activity against MCF‐7, MDA‐MB‐231, MCF‐7/Dox, MCF‐7/Tam, SK‐OV‐3, LNCaP, and PC3 human cancer cell lines than SAHA.
ChemInform Abstract: Low‐Dimensional Antiferromagnetic Oxides: An Overview
Authors: Finazzi Marco , Duo Lamberto , Ciccacci Franco
Published: September 2011

Review: 100 refs.
ChemInform Abstract: Thirty Six Years of Research on the Selective Reduction and Hydroboration
Authors: Cha Jin Soon
Published: September 2011

Review: 199 refs.
ChemInform Abstract: Recent Progress in Biological Activities of Synthesized Phenothiazines
Authors: Pluta Krystian , Morak‐Mlodawska Beata , Jelen Malgorzata
Published: September 2011

Review: 71 refs.
ChemInform Abstract: Azobenzene Photoswitches for Biomolecules
Authors: Beharry Andrew A. , Woolley G. Andrew
Published: September 2011

Review: 193 refs.
ChemInform Abstract: New Processing Approaches in Calcium Phosphate Cements and Their Applications in Regenerative Medicine
Authors: Ginebra M. P. , Espanol M. , Montufar E. B. , Perez R. A. , Mestres G.
Published: September 2011

Review: 105 refs.
ChemInform Abstract: Physicochemical Aspects of Electrocoagulation
Authors: Barrera‐Diaz C. , Bilyeu B. , Roa G. , Bernal‐Martinez L.
Published: September 2011

Review: 79 refs.
ChemInform Abstract: Photoinduced Electron and Energy Transfer in Phenylene Oligomers
Authors: Wenger Oliver S.
Published: September 2011

Review: 48 refs.
ChemInform Abstract: Molecular Simulations for Energy, Environmental and Pharmaceutical Applications of Nanoporous Materials: From Zeolites, Metal—Organic Frameworks to Protein Crystals
Authors: Jiang Jianwen , Babarao Ravichandar , Hu Zhongqiao
Published: September 2011

Review: 74 refs.
Application of Metrics in Early Stages of Process Development – Two Case Studies
Authors: Eissen Marco , Brinkmann Tobias , Klein Mieke , Schwartze Britta , Weiß Markus
Published: September 2011

Zur Entwicklung nachhaltiger Prozesse ist es schon in frühen Phasen der Entwicklung sinnvoll, Methoden aus dem Bereich des betrieblichen Umwelt‐, Gesundheits‐ und Sicherheits‐Management (EHS‐Management) als auch aus dem Ökobilanzsektor zu nutzen. Vor dem Hintergrund einer geringen Datenverfügbarkeit und Datenqualität werden Möglichkeiten der Anwendung von Kennzahlen in den frühen Phasen der Prozessentwicklung an zwei Fallbeispielen vorgestellt. Zum einen wird eine vergleichende Stoffstromanalyse von zwei alternativen Syntheserouten zur Herstellung einer enantiomerenreinen β‐Aminosäure zur Bewertung von Gesundheits‐ und Kostenaspekten diskutiert. Zum anderen wird am Beispiel der Glutaraldehyd‐Produktion die Berechnung des kumulierten Energieaufwands mithilfe von Software‐Tools gezeigt.
Docking Study and Three‐Dimensional Quantitative Structure‐Activity Relationship (3D‐QSAR) Analyses and Novel Molecular Design of a Series of 4‐Aminoquinazolines as Inhibitors of Aurora B Kinase
Authors: Sun Haopeng , Zhu Jia , Chen Yadong , Sun Yuan , Zhi Huijing , Li Hao , You YouQidong , Xiao Qin
Published: September 2011

The Aurora proteins are critical regulators of major mitotic events and attractive targets for anticancer therapy. 3D‐QSAR studies based on molecular docking were performed on a dataset of 40 4‐aminoquinazolines compounds. The CoMSIA model produced significantly better results than CoMFA model, with q2=0.652 and r2=0.991. The contours analysis provides useful information about the structural requirements for 4‐aminoquinazolines for inhibiting Aurora B. Scaffold hopping method was used to generate new structures based on the maximum common substructure of the training and test set compounds. The ADMET property, binding affinity and inhibitory activity of the new designed compounds were predicted, respectively. Finally 16 compounds were identified as the novel inhibitors for Aurora B kinase.
Synthesis of Multi‐substituted Benzamide Derivatives under Microwave Irradiation Conditions
Authors: Jia Runhong , Peng Juhua , Ma Ning , Yan Shu , Tu Shujiang
Published: September 2011

A facile microwave‐assisted synthesis of N‐[(Z)‐1‐(substituted carbamoyl)‐2‐arylvinyl] benzamide derivatives is accomplished via reactions of 4‐arylmethylene‐2‐phenyloxazol‐5(4H)‐ones with different amines (for example methylamine, cyclopropylamine, para‐toluidine, phenylamine) in ethylene glycol. This protocol broadens the scope of the reaction for the synthesis of N‐benzamide derivatives.
Development and Validation of a Liquid Chromatographic Method for the Determination of Leflunomide: Application to in vitro Drug Metal Interactions
Authors: Sultana Najma , Muhammad Saeed Arayne , Khan Moona Mehboob , Nawaz Muhammd
Published: September 2011

Leflunomide is a leading drug for the treatment of rheumatoid arthritis. The principle aim of this study was to develop and validate an RP‐HPLC method for the determination of leflunomide in bulk and pharmaceutical dosage form using diclofenac sodium as an internal standard. For this purpose, chromatography was accomplished on a Purospher Start, C18 (5 (m, 12.5 cm×0.46 cm) column at ambient temperature. Methanol:water (80:20, V/V) solvent system was selected as mobile phase, the pH of which was adjusted to 3.4 by ortho‐phosphoric acid and delivered at a flow rate of 1.2 mL·min−1. Seperation of leflunomide and diclofenac sodium was carried out on a Purospher Start, C18 equipped with a UV‐visible detector at 248 nm. The suitability of the method for the quantitative determination of the drugs is proven by validation in accordance with the requirements laid down by the International Conference on Harmonization (ICH) guidelines. The method was accurate (99.55%–100.03%), specific, linear (R2>0.999) and precise (intra‐day precision 0.023%–0.93% and inter‐day precision 0.26%–0.944%) in the range of 0.5–20 (g·mL−1. The minimum limit of detection and quantification in pharmaceutical formulation were 0.05 and 0.15 (g·mL−1, respectively. Thus the proposed method is simple, accurate, reproducible and suitable for the routine analysis of leflunomide in pharmaceutical formulations and was applied to study in vitro drug‐metal interactions.
Elektrische Energie aus dem Kohlenstoffsandwich Lithium‐Ionen‐Akkumulatoren auf Basis redoxamphoterer Graphitintercalations‐Elektroden
Authors: Hasselmann Martin , Oetken Marco
Published: September 2011

In diesem Beitrag werden völlig neuartige Experimente zum Themenfeld Lithium‐Ionen‐Akkumulatoren in Theorie und Praxis vorgestellt. Über eine einfache Lithium‐Ionen‐Batterie mit Graphitminen im microscale Maßstab mit einem low cost Equipment bis hin zu einem leistungsfähigen „Lipo‐Power‐Pack“ werden verschiedene Typen von Akkumulatoren präsentiert. Erste elektrochemische Kenndaten dieser Lithium‐Ionen‐Akkumulatoren lassen sich mit schulisch relevanten Mittel identifizieren. Darüber hinaus wird aufgezeigt, wie sich die elektrochemisch erzwungene Intercalation von Ionen mit einfachen Experimenten eindrucksvoll nachweisen lässt.
Development of Isoxazoline‐Containing Peptidomimetics as Dual αvβ3 and α5β1 Integrin Ligands
Authors: Tolomelli Alessandra , Gentilucci Luca , Mosconi Elisa , Viola Angelo , Dattoli Samantha Deianira , Baiula Monica , Spampinato Santi , Belvisi Laura , Civera Monica
Published: September 2011

Isoxazoline‐containing peptidomimetics, designed to be effective αvβ3 and α5β1 integrin ligands, were synthesized through an original procedure involving N,O‐bis(trimethylsilyl)hydroxyamine conjugate addition to alkylidene acetoacetates, followed by intramolecular hemiketalization. To mimic the RGD recognition sequence, basic and acidic terminal appendages were introduced, and the final products were tested in cell adhesion inhibition assays. All the synthesized compounds proved to be excellent ligands for both integrin receptors, and a strong influence on intracellular signaling and phosphorylation pathways was demonstrated by evaluation of fibronectin‐induced phosphorylation of ERK. The molecular basis of the observed inhibitory activity was suggested on the results of docking experiments.
Cutoff‐free traveling wave NMR
Authors: Tang Joel A. , Wiggins Graham C. , Sodickson Daniel K. , Jerschow Alexej
Published: September 2011

Recently, the concept of traveling wave NMR/MRI was introduced by Brunner et al. (Nature 2009;457:994–992), who demonstrated MR images acquired using radio frequency (RF) waves propagating down the bore of a MR scanner which acts as a waveguide. One of the significant limitations of this approach is that each bore has a specific cutoff frequency, which can be higher than most Larmor frequencies at the magnetic field strengths commonly in use for MR imaging and spectroscopy today. One can overcome this limitation by using a central conductor in the waveguide and thereby converting it in to a transmission line which has no cutoff frequency. Broadband propagation of waves through the sample thus becomes possible. NMR spectra and images with such an arrangement are presented and traveling wave behavior is demonstrated. In addition to facilitating NMR spectroscopy and imaging in smaller bores via traveling waves, this approach also allows one to perform multinuclear traveling wave experiments (an example of which is shown), and to study otherwise difficult‐to‐access samples in unusual geometries. © 2011 Wiley Periodicals, Inc. Concepts Magn Reson Part A 38: 253–267, 2011.
Omission of radiation therapy after breast‐conserving surgery in the United States
Authors: Tuttle Todd M. , Jarosek Stephanie , Habermann Elizabeth B. , Yee Doug , Yuan Jianling , Virnig Beth A.
Published: September 2011

BACKGROUND:

Radiation therapy (RT) after breast‐conserving surgery (BCS) is associated with a significant reduction in ipsilateral breast tumor recurrence and breast cancer mortality rates in patients with early stage breast cancer. The authors of this report sought to determine which patients with breast cancer do not receive RT after BCS in the United States.

METHODS:

The Surveillance, Epidemiology, and End Results registry was used to determine the rates of RT after BCS for women with stage I through III breast cancer in the United States from 1992 through 2007. A multivariate analysis was performed to identify independent predictors of omission of RT.

RESULTS:

In total, 294,254 patients with invasive, nonmetastatic breast cancer were identified who underwent surgery from 1992 through 2007. Most patients (57%) underwent BCS; among those, 21.1% did not receive RT after BCS. The omission of RT increased significantly from 1992 (15.5%) to 2007 (25%). The receipt of RT also decreased significantly for patients with increased cancer stage, age <55 years, high‐grade tumors, large tumors, positive or untested lymph node status, African American or Hispanic race, and negative or unknown estrogen receptor status. Significant geographic variation was observed in the rates of RT after BCS.

CONCLUSIONS:

The omission of RT after BCS was more common in recent years, especially among women who had an increased risk of breast cancer recurrence. This trend represents a serious health care concern because of the potential increased risk of local recurrence and breast cancer mortality. Cancer 2012. © 2011 American Cancer Society.
Energy landscape analysis for regulatory RNA finding using scalable distributed cyberinfrastructure
Authors: Kim Joohyun , Huang Wei , Maddineni Sharath , Aboul‐ela Fareed , Jha Shantenu
Published: September 2011

We investigate the folding energy landscape for a given RNA sequence through Boltzmann ensemble (BE) sampling of RNA secondary structures. The ensemble of sampled structures is used to derive distributions of energies and base‐pair distances between two configurations. We identify structural features that can be utilized for RNA gene finding. Characterization of the EL through BE sampling of secondary structures is computationally demanding and has multiple heterogeneous stages. We develop the Distributed Adaptive Runtime Environment to effectively address the computational requirements. Distributed Adaptive Runtime Environment is built upon an extensible and interoperable pilot‐job and supports the concurrent execution of a broad range of task sizes across a range of infrastructure. It is used to investigate two RNA systems of different sizes, S‐adenosyl methionine (SAM) binding RNA sequences known as SAM‐I riboswitches, and the S gene of the bovine corona virus RNA genome. We demonstrate how the implementation lowers the total time to solution for increases in RNA length, the number of sequences investigated, and the number of sampled structures. The distributions of energies and base‐pair distances reveal variations in folding dynamics and pathways among the SAM riboswitch sequences. Our results for BCoV RNA genome sequences also indicate sensitivity of folding to coding‐neutral variations in sequence. We search for a characteristic motif from within the SAM‐I consensus structure – a four‐way junction, among BE sampled structures for all 2910 SAM‐I sequences identified from Rfam (the curated ncRNA family database). We find that BE sampling provides insight into the variations in conformational distribution among sequences of the same ncRNA family. Therefore, BE sampling of secondary structures is a viable pre‐processing or post‐processing tool to complement comparative sequence analysis. The understanding gained shows how appropriately designed cyberinfrastructure can provide new insight into RNA folding and structure formation. Copyright © 2011 John Wiley & Sons, Ltd.
Differences in Two‐Photon and One‐Photon Absorption Profiles Induced by Vibronic Coupling: The Case of Dioxaborine Heterocyclic Dye
Authors: Lin Na , Luo Yi , Ruud Kenneth , Zhao Xian , Santoro Fabrizio , Rizzo Antonio
Published: September 2011

A theoretical study of a dioxaborine heterocyclic compound in solution provides a case study for an analysis of the effects induced by the so‐called Herzberg–Teller (HT) vibronic coupling on the one‐ (OPA) and two‐photon absorption (TPA) spectra. For TPA, the HT vibronic coupling induces differences in the shapes of the absorption band. The study highlights the importance of vibronic coupling as a potentially important mechanism in absorption spectroscopy, able to explain differences in the OPA/TPA spectra.
Role of oxygen vacancies in the origin of ferromagnetism in Mn‐doped ZnO
Authors: Wang Qianjin , Wang Jinbin , Zhong Xiangli , Tan Qiuhong , Zhou Yichun
Published: September 2011

The relationship between the oxygen vacancy and ferromagnetism in Mn‐doped ZnO has been studied based on the first‐principles calculations. Three possible charge states of oxygen vacancies, i.e., neutral (VO0), 1+ (VO1+) and 2+ (VO2+) are considered. Results show that the lattice relaxations around oxygen vacancies are large difference under different charge states. It is found that VO1+ and VO2+ oxygen vacancies induce ferromagnetism. However, Mn‐doped ZnO system shows ferromagnetism with VO0 oxygen vacancies in hydrogenated environment, the ferromagnetism is attributed to the interstitial H, which forms a bridge bond and mediates d ‐d coupling and stabilizes the ferromagnetic state. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
High throughput flow cytometry based yeast two‐hybrid array approach for large‐scale analysis of protein‐protein interactions
Authors: Chen Jun , Carter Mark B. , Edwards Bruce S. , Cai Hong , Sklar Larry A.
Published: September 2011

The analysis of protein‐protein interactions is a key focus of proteomics efforts. The yeast two‐hybrid system (Y2H) has been the most commonly used method in genome‐wide searches for protein interaction partners. However, the throughput of the current yeast two‐hybrid array approach is hampered by the involvement of the time‐consuming LacZ assay and/or the incompatibility of liquid handling automation due to the requirement for selection of colonies/diploids on agar plates. To facilitate large‐scale Y2H assays, we report a novel array approach by coupling a GFP reporter based Y2H system with high throughput flow cytometry that enables the processing of a 96‐well plate in as little as 3 min. In this approach, the yEGFP reporter has been established in both AH109 (MATa) and Y187 (MATα) reporter cells. It not only allows the generation of two copies of GFP reporter genes in diploid cells, but also allows the convenient determination of self‐activators generated from both bait and prey constructs by flow cytometry. We demonstrate a Y2H array assay procedure that is carried out completely in liquid media in 96‐well plates by mating bait and prey cells in liquid YPD media, selecting the diploids containing positive interaction pairs in selective media and analyzing the GFP reporter directly by flow cytometry. We have evaluated this flow cytometry based array procedure by showing that the interaction of the positive control pair P53/T is able to be reproducibly detected at 72 hr postmating compared with the negative control pairs. We conclude that our flow cytometry based yeast two‐hybrid approach is robust, convenient, quantitative, and is amenable to large‐scale analysis using liquid‐handling automation. © 2011 International Society for Advancement of Cytometry
An efficient and provably‐secure certificateless signature scheme without bilinear pairings
Authors: He D. , Chen J. , Zhang R.
Published: September 2011

Certificateless public key cryptography simplifies the complex certificate management in the traditional public key cryptography and resolves the key escrow problem in identitybased cryptography. The certificateless signature scheme is studied widely as an important primitive. Following the pioneering work done by Al‐Riyami et al., many certificateless signature schemes using bilinear pairings have been proposed ever since. However, the relative computation cost of the pairing is approximately 20 times higher than that of the scalar multiplication over the elliptic curve group. To improve the performance we propose a certificateless signature scheme without bilinear pairings. With the running time being reduced greatly, our scheme is more practical than the previous related schemes for practical application. Copyright © 2011 John Wiley & Sons, Ltd.
Utility of ultrasound‐guided fine‐needle aspiration in splenic lesions
Authors: Handa Uma , Tiwari Avani , Singhal Niti , Mohan Harsh , Kaur Ravinder
Published: September 2011

Indications of fine‐needle aspiration (FNA) of spleen have increased as more splenic lesions are detected because of advanced imaging techniques. A retrospective analysis of cytological material of 36 patients on whom ultrasound‐guided splenic FNA was performed was done. No complications were noted. There were 16 inflammatory lesions, 12 neoplastic and 8 cases were reported as descriptive either because of scant cellularity, blood only, or normal splenic cytology. Inflammatory lesions included nine cases of acute abscess, five cases of tuberculosis, and one case each of leishmaniasis and infarct. Neoplastic lesions included two benign (benign cyst and inflammatory pseudotumor) and 10 malignant lesions. Among malignant lesions, eight were non‐Hodgkin lymphoma (NHL), one suspicious of NHL, and one desmoplastic small round cell tumor. FNA proved to be an effective procedure for reaching a microscopic tissue diagnosis and thus a splenectomy could be avoided in cases where it was not required. Diagn. Cytopathol. 2013;41:1038–1042. © 2011 Wiley Periodicals, Inc.
B‐cell lymphoma of the vagina occurring after treatment for classic Hodgkin lymphoma: A case report and literature review
Authors: Chen Xiaowei , Hamele‐Bena Diane , Fai Chow Kar , Hawver Melanie , He Huangjun , Raphael Bruce , Jain Salvia , Wright Thomas C.
Published: September 2011

Malignant lymphomas of the female genital tract are very uncommon, and the development of a diffuse large B‐cell lymphoma involving the vagina following treatment for classic Hodgkin lymphoma is extremely rare. Clinically and morphologically, this entity represents a challenge. We herein report such a case with liquid‐based Pap test and tissue biopsy findings. Diagn. Cytopathol. 2013. © 2011 Wiley Periodicals, Inc.
Human puberty: Salivary melatonin profiles in constant conditions
Authors: Crowley Stephanie J. , Acebo Christine , Carskadon Mary A.
Published: September 2011

This analysis examined the relative contributions of sex, age, body mass index (BMI), and puberty (Tanner) stage on salivary melatonin amplitude. Sixty‐nine children and adolescents (30 females; 9.6–17.8 years) were examined for Tanner stage. Serial salivary melatonin samples were collected in controlled conditions, from which these melatonin amplitude measures were derived: area under the curve (AUC) and maximum value (MAX). AUC declined with advancing Tanner stage. This melatonin decline was similar between boys and girls, but girls secreted more melatonin compared to boys. Tanner stage and sex explained AUC variability, but age and BMI did not; similar results emerged for MAX. These results indicate that puberty stage may either mediate the decline of melatonin, or the decrease in melatonin amplitude may be an indicator of pubertal progression. These findings also indicate that the melatonin decline during puberty is not entirely accounted for by body mass or by age. © 2011 Wiley Periodicals, Inc. Dev Psychobiol 54:468–473, 2012.
Brain‐derived neurotrophic factor produced by human umbilical tissue‐derived cells is required for its effect on hippocampal dendritic differentiation
Authors: Alder Janet , Kramer Brian C. , Hoskin Casey , Thakker‐Varia Smita
Published: September 2011

The potential for nonembryonic cells to promote differentiation of neuronal cells has therapeutic implications for regeneration of neurons damaged by stroke or injury and avoids many ethical and safety concerns. The authors have assessed the capacity of human umbilical tissue‐derived cells (hUTC) and human mesenchymal stromal cells (hMSC) to enhance differentiation of rodent hippocampal neurons. Co‐culture of hippocampal cells with hUTC or hMSC in transwell inserts for 3 days resulted in increase of several dendritic parameters including the number and length of primary dendrites. The effect of hUTC or hMSC on dendritic maturation was only apparent on neurons grown for 2 weeks in vitro prior to co‐culture. Changes in dendritic morphology in the presence of hUTC were also accompanied by increased expression of the presynaptic marker synaptotagmin and the postsynaptic marker postsynaptic density protein 95 kDa (PSD95) suggesting that there may also be an increase in the number of synapses formed in the presence of hUTC. The effect of hUTC and hMSC on hippocampal cells in co‐culture was comparable to those induced by treatment with recombinant human brain‐derived neurotrophic factor (BDNF) implying that a similar factor may be released from hUTC or hMSC. Analysis of hUTC‐conditioned medium by ELISA demonstrated that BDNF was indeed secreted. An antibody that blocks the actions of BDNF partially inhibited the actions of hUTC on dendritic morphology suggesting that BDNF is at least one of the factors secreted from the cells to promote dendritic maturation. These results indicate that hUTC secrete biologically active BDNF, which can affect dendritic morphology. © 2011 Wiley Periodicals, Inc. Develop Neurobiol 72: 755–765, 2012
Construction of an intelligent massage system based on human skin–muscle elasticity
Authors: Teramae Tatsuya , Kushida Daisuke , Takemori Fumiaki , Kitamura Akira
Published: September 2011

Current massage chairs realize massage motion and force designed by a professional masseur. However, a massage force appropriate to the user cannot be provided by massage chairs using this method. On the other hand, a professional masseur can provide appropriate massage force to more than one patient, because the masseur considers the physical condition of the patient. This paper proposes a method of applying this masseur procedure to massage chairs. The proposed method is based on estimation of the physical condition of the user, choice of the massage force based on the physical condition, and realization of the massage force by force control. The realizability of the proposed method was verified by an experimental study using the massage chair. © 2011 Wiley Periodicals, Inc. Electron Comm Jpn, 94(10): 26–33, 2011; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/ecj.10359
Parameter optimization of model predictive control by PSO
Authors: Suzuki Ryohei , Kawai Fukiko , Nakazawa Chikashi , Matsui Tetsuro , Aiyoshi Eitaro
Published: September 2011

Among various control methods, model predictive control (MPC) is one of the major control strategies and has many successful applications. This paper presents an automatic tuning method for MPC using particle swarm optimization (PSO). One of the challenges in MPC is how control parameters can be tuned for various target plants, and the use of PSO for automatic tuning is one of the solutions. The MPC tuning problem is formulated as an optimization problem and PSO is applied as the optimization technique. PSO is one of the metaheuristic methods which are known to seek a global optimum at a relatively high ratio and with no use of a gradient. The numerical results for simple examples show the effectiveness of the proposed PSO‐based automatic tuning method. © 2011 Wiley Periodicals, Inc. Electr Eng Jpn, 178(1): 40–49, 2012; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/eej.21188