bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Metal‐Free Dihydroxylation of Alkenes Using Cyclobutane Malonoyl Peroxide (XI).
Authors: Jones Kevin M. , Tomkinson Nicholas C. O.
Published: April 2012

The reaction of 1,2‐disubstituted alkenes selectively provides syn‐diols.
ChemInform Abstract: Antimony Trichloride: A Mild and Efficient Reagent for Chemoselective Ring Opening of Oxiranes.
Authors: Maiti Gourhari , Bhattacharya R. N. , Karmakar Rajiv
Published: April 2012

The ring opening of different epoxides by antimony trichloride is studied.
ChemInform Abstract: Highly Efficient and Chemoselective Ruthenium‐Catalyzed Hydrosilylation of Aldehydes.
Authors: Do Youngshil , Han Junghoon , Rhee Young Ho , Park Jaiwook
Published: April 2012

The hydrosilylation of a diversity of aromatic and aliphatic aldehydes with triethylsilane in the presence of a dimeric ruthenium catalyst (fluorescent light activation) proceeds smoothly to afford the corresponding silyl ethers, e.g. (III) and (V).
ChemInform Abstract: Highly Enantioselective Aldol Reactions Using a tropos Dibenz[c,e]azepine Organocatalyst.
Authors: Lygo Barry , Davison Christopher , Evans Timothy , Gilks James A. R. , Leonard John , Roy Claude‐Eric
Published: April 2012

A newly synthesized chiral primary tertiary diamine salt possessing a dibenz[c,e]azepine ring, promotes highly enantioselective crossed‐aldol reactions between cyclohexanone (I) and a series of aromatic aldehydes.
ChemInform Abstract: Solvent‐Free Asymmetric Aldol Reaction Organocatalyzed by (S)‐Proline‐Containing Thiodipeptides under Ball‐Milling Conditions.
Authors: Hernandez Jose G. , Garcia‐Lopez Victor , Juaristi Eusebio
Published: April 2012

Novel proline containing dipeptides and thiodipeptides are prepared and applied as catalysts for the asymmetric aldol reaction under solvent‐free conditions using the High Speed Ball‐Milling technique.
ChemInform Abstract: An Efficient Method for the Preparation of Tertiary Esters by Palladium‐Catalyzed Alkoxycarbonylation of Aryl Bromides.
Authors: Xin Zhuo , Goegsig Thomas M. , Lindhardt Anders T. , Skrydstrup Troels
Published: April 2012

Using a special two‐chamber technique, CO is generated in situ from fluorene carbonyl chloride.
ChemInform Abstract: A Direct and Stereoretentive Synthesis of Amides from Cyclic Alcohols.
Authors: Mondal Deboprosad , Bellucci Luca , Lepore Salvatore D.
Published: April 2012

Under conditions A) or B), various cyclic alcohols can be transformed to amides with retention of configuration.
ChemInform Abstract: Iron‐Catalyzed C—H and C—C Bond Cleavage: A Direct Approach to Amides from Simple Hydrocarbons.
Authors: Qin Chong , Zhou Wang , Chen Feng , Ou Yang , Jiao Ning
Published: April 2012

A novel Fe‐catalyzed oxidative transformation of bisarylmethanes or related benzylic hydrocarbons to amides is developed.
ChemInform Abstract: Ultrathin Platinum Nanowire Catalysts for Direct C—N Coupling of Carbonyls with Aromatic Nitro Compounds under 1 Bar of Hydrogen.
Authors: Lu Jianmei , et al. et al.
Published: April 2012

Time‐dependent analysis, ReactIR spectroscopy, and DFT calculations reveal that the reaction proceeds through a different mechanism than traditional “reductive amination”.
ChemInform Abstract: Iridium‐Catalyzed Allylic Vinylation and Asymmetric Allylic Amination Reactions with o‐Aminostyrenes.
Authors: Ye Ke‐Yin , He Hu , Liu Wen‐Bo , Dai Li‐Xin , Helmchen Guenter , You Shu‐Li
Published: April 2012

The Ir‐catalyzed treatment of o‐aminostyrenes with allylic carbonates results in formation of dienes of type (III).
ChemInform Abstract: Na3PO4‐Catalyzed Aminochlorination Reaction of β‐Nitrostyrenes in Water.
Authors: Mei Haibo , Xiong Yiwen , Qian Yu , Han Jianlin , Li Guigen , Pan Yi
Published: April 2012

A simple protocol is developed with (II) as the nitrogen and the chlorine source.
ChemInform Abstract: Copper(II)‐Catalyzed Hydrosilylation of Ketones Using Chiral Dipyridylphosphane Ligands: Highly Enantioselective Synthesis of Valuable Alcohols.
Authors: Yu Feng , Zhou Ji‐Ning , Zhang Xi‐Chang , Sui Yao‐Zong , Wu Fei‐Fei , Xie Lin‐Jie , Chan Albert S. C. , Wu Jing
Published: April 2012

The new copper‐catalyzed asymmetric hydrosilylation system gives excellent enantioselectivities (up to 98% e.e.) and exceeds high turnover rates (up to 50 000 S/L molar ratio in 50 min reaction time).
ChemInform Abstract: Catalytic 1,3‐Difunctionalization of Organic Backbones Through a Highly Stereoselective, One‐Pot, Boron Conjugate‐Addition/Reduction/Oxidation Process.
Authors: Sole Cristina , Tatla Amolak , Mata Jose A. , Whiting Andrew , Gulyas Henrik , Fernandez Elena
Published: April 2012

Starting from the α,β‐unsaturated ketone (I) or the α,β‐unsaturated imines (VI), three‐step routes are developed involving boron conjugate addition, reduction, and oxidation to give the syn‐1,3‐diol (IV) or syn‐1,3‐amino alcohols, respectively.
ChemInform Abstract: Efficient Organocatalytic Cross‐Aldol Reaction Between Aliphatic Aldehydes Through Their Functional Differentiation.
Authors: Kano Taichi , Sugimoto Hisashi , Maruoka Keiji
Published: April 2012

In the presence of the amine BPA, the syn adducts are mainly formed, while with L‐proline the anti products are predominantly obtained.
ChemInform Abstract: Chiral Zinc‐Catalyzed Asymmetric α‐Alkylallylation and α‐Chloroallylation of Aldehydes.
Authors: Kobayashi Shu , Endo Toshimitsu , Ueno Masaharu
Published: April 2012

Treatment of aldehydes with α‐substituted boronic esters produces a variety of homoallylic alcohols bearing 2 neighboring stereogenic centers with high diastereo‐ and enantioselectivity.
ChemInform Abstract: A Convenient Synthesis of the Immunosuppressive Agent FTY720 (VII)
Authors: Feng Xiangjun , Mei Yuhua , Luo Yu , Lu Wei
Published: April 2012

[using an iron‐catalyzed cross‐coupling reaction [→ (III)] and a Wittig reaction as key steps].
ChemInform Abstract: Enantioselective Stetter Reactions of Enals and Modified Chalcones Catalyzed by N‐Heterocyclic Carbenes.
Authors: Fang Xinqiang , Chen Xingkuan , Lv Hui , Chi Yonggui Robin
Published: April 2012

The asymmetric Stetter reaction of β‐alkyl (I), β‐aryl (IV) as well as β,β‐disubstituted enals (VI) with 2‐alkylidene‐1,3‐dicarbonyl compounds (II), (VII) or (IX) proceeds smoothly in the presence of a chiral triazolium‐based NHC organocatalyst.
ChemInform Abstract: Reversed‐Polarity Synthesis of Diaryl Ketones via Palladium‐Catalyzed Cross‐Coupling of Acylsilanes.
Authors: Schmink Jason R. , Krska Shane W.
Published: April 2012

Acylsilanes (II) are used reactions with aryl bromides (I) to give unsymmetrical diaryl ketones (III).
ChemInform Abstract: Base‐Mediated Stereospecific Synthesis of Aryloxy and Amino Substituted Ethyl Acrylates.
Authors: Kabir M. Shahjahan , Namjoshi Ojas A. , Verma Ranjit , Lorenz Michael , Tiruveedhula V. V. N. Phani Babu , Monte Aaron , Bertz Steven H. , Schwabacher Alan W. , Cook James M.
Published: April 2012

An efficient stereospecific method to prepare (E)‐ and (Z)‐configurated title compounds is reported.
ChemInform Abstract: The Synthesis and Tuberculostatic Activity of Benzenesulfonohydrazide Derivatives.
Authors: Wisterowicz Krystyna , Gobis Katarzyna , Foks Henryk , Augustynowicz‐Kopec Ewa
Published: April 2012

The compounds (III) are screened in vitro for their activity against the Mtb H37Rv standard strain and two strains isolated from tuberculotic patients, sensitive strain 192 and resistant strain 210.
ChemInform Abstract: Reusable and Efficient CoCl2·6H2O/Cationic 2,2′‐Bipyridyl System‐Catalyzed S‐Arylation of Aryl Halides with Thiols in Water under Air.
Authors: Lan Ming‐Tzu , Wu Wei‐Yi , Huang Shao‐Hsien , Luo Kai‐Luen , Tsai Fu‐Yu
Published: April 2012

Coupling reactions of aryl halides with thiols result in the formation of thioethers.
ChemInform Abstract: (NHC)Palladium Complexes from Hydroxy‐Functionalized Imidazolium Salts as Catalyst for the Microwave‐Accelerated Fluorine‐Free Hiyama Reaction.
Authors: Penafiel Itziar , Pastor Isidro M. , Yus Miguel , Esteruelas Miguel A. , Olivan Montserrat , Onate Enrique
Published: April 2012

Catalyst (I), readily available from the imidazolium salt and Pd(O‐Ac)2, is isolated as an air‐stable greyish solid, which exists in solution at room temperature as a mixture of diastereomers.
ChemInform Abstract: Nickel‐Catalyzed Suzuki—Miyaura Reaction of Aryl Fluorides.
Authors: Tobisu Mamoru , Xu Tian , Shimasaki Toshiaki , Chatani Naoto
Published: April 2012

Two protocols for the title reaction are developed, the first by employing a metal fluoride‐cocatalyst and the second by utilization of an ortho‐directing group.
ChemInform Abstract: Synthesis of Substituted α‐Tetralones and Substituted 1‐Naphthols via Regioselective Ring Expansion of 1‐Acyl‐1‐indanol Skeleton.
Authors: Yang Te‐Fang , Wang Kuan‐Yu , Li Hsuan‐Wei , Tseng Yang‐Chan , Lien Tai‐Chen
Published: April 2012

Starting from indanones, a straightforward synthesis of substituted 1‐naphthols (X) is developed.
ChemInform Abstract: Lewis Base Assisted Broensted Base Catalysis: Direct Asymmetric Allylic Alkylation of Indenes.
Authors: Chui Hai‐Lei , Sun Xun‐Hao , Jiang Lin , Dong Lin , Chen Yin‐Chun
Published: April 2012

The first allylic alkylation of indene derivatives with Morita—Baylis—Hillman carbonates (I) is catalyzed by (DHQD)2‐AQN to give the desired products with high enantioselectivities but only moderate yields.
ChemInform Abstract: Synthesis of Non‐Steroidal Estrogen Receptor Antagonists R1128 A, B, C, and D via an Oxazoline‐Promoted Iterative ortho‐Lithiation Strategy.
Authors: Fukuda Tsutomu , Fukushima Koichiro , Sanai Susumu , Iwao Masatomo
Published: April 2012

The average overall yield of title compounds (VII) is approximately 36%.
ChemInform Abstract: Copper‐Catalyzed Skeletal Rearrangement of O‐Propargylic Alkylaldoximes via N—O Bond Cleavage.
Authors: Nakamura Itaru , Iwata Tomoki , Zhang Dong , Terada Masahiro
Published: April 2012

An acidic proton at the α‐position of the oxime group is required for the rearrangement.
ChemInform Abstract: Functionalized 2,3‐Dihydrofurans via Palladium‐Catalyzed Oxyarylation of α‐Allyl‐β‐ketoesters.
Authors: Cacchi Sandro , Fabrizi Giancarlo , Goggiamani Antonella , Iazzetti Antonia , Madec David , Poli Giovanni , Prestat Guillaume
Published: April 2012

Aryl bromides and chlorides as well as heteroaryl halides can be used and the new method tolerates a range of functional groups.
ChemInform Abstract: Enantioenriched Formation of Synthons of 1,5‐Hexadiene Bis‐Epoxides for Construction of Nonracemic cis‐ and trans‐2,5‐Disubstituted Tetrahydrofurans.
Authors: Williams David R. , De Ramkrishna
Published: April 2012

The pathway to the enantioenriched bis‐epoxides includes the Sharpless asymmetric epoxidation of heptadienol and the mild epoxidation of the resulting epoxy alkenes (I) as the key step via high asymmetric induction by using the Katsuki titanium salalen catalyst.
ChemInform Abstract: Taming the Friedel—Crafts Reaction: Organocatalytic Approach to Optically Active 2,3‐Dihydrobenzofurans.
Authors: Albrecht Lukasz , Ransborg Lars Krogager , Lauridsen Vibeke , Overgaard Mette , Zweifel Theo , Joergensen Karl Anker
Published: April 2012

Diversity‐orientated one‐pot reaction cascades are reported for the preparation of chiral trans‐2,3‐disubstituted title compounds having three contiguous stereocenters.
ChemInform Abstract: The Marriage of Organocatalysis with Metal Catalysis: Access to Multisubstituted Chiral 2,5‐Dihydropyrroles by Cascade Iminium/Enamine—Metal Cooperative Catalysis.
Authors: Sun Wangsheng , Zhu Gongming , Hong Liang , Wang Rui
Published: April 2012

An unprecedent aza‐Michael/carbocyclization reaction combining cheap and readily available α,β‐unsaturated aldehydes and N‐tosyl propargylamines is discovered.
ChemInform Abstract: Organocatalyzed Enantioselective Aldol Reaction of 1H‐Pyrrole‐2,3‐diones.
Authors: Bhanushali Mayur , Zhao Cong‐Gui
Published: April 2012

Cross aldol reaction between 4,5‐dioxopyrroles (I) and ketones (II) and (IV) in the presence of chiral catalysts is investigated.
ChemInform Abstract: One‐Pot Synthesis of 2,5‐Bis(3‐indolyl)‐3,4‐dinitrothiophene, 3‐(2‐Chloro‐3,4‐dinitrothien‐2‐yl)indole and Related Congeners.
Authors: Fasfous Ismail I. , El‐Abadelah Mustafa M. , Sabri Salim S.
Published: April 2012

For the presented reaction the compound (II) is generated in situ.
ChemInform Abstract: One‐Pot Multicomponent Synthesis of Polysubstituted Indolizines.
Authors: Mao Zhenjun , Li Xuejian , Lin Xufeng , Lu Ping , Wang Yanguang
Published: April 2012

A four‐component tandem approach to polysubstituted indolizines under metal‐free and mild aerobic conditions is reported.
ChemInform Abstract: Synthesis and Stereochemistry of Some Novel Dihydropyrrolo[3,4‐c]pyrazoles.
Authors: Dueruest Yasar , Yildirim Muhammet , Fronczek Chris F. , Fronczek Frank R.
Published: April 2012

Novel pyrrolopyrazoles are synthesized by cycloaddition reaction of chiral (1‐phenylethyl)maleimide (III) and nitrilimines.
ChemInform Abstract: Efficient Synthesis of Spiroisoxazoline Oxindoles.
Authors: Ribeiro Carlos J. A. , Kumar S. Praveen , Moreira Rui , Santos Maria M. M.
Published: April 2012

The title compounds (III) and (IV) are prepared by 1,3‐dipolar cycloaddition of in situ generated nitrile oxides to indolinones, where zinc is used as the dehydrochlorinating agent.
ChemInform Abstract: Hydroxyapatite‐Supported Copper(II)‐Catalyzed Azide—Alkyne [3 + 2] Cycloaddition with Neither Reducing Agents Nor Bases in Water.
Authors: Masuyama Yoshiro , Yoshikawa Kazuki , Suzuki Noriyuki , Hara Kenji , Fukuoka Atsushi
Published: April 2012

The procedure can be generally carried out under air in water.
ChemInform Abstract: One‐Pot Three‐Component Reaction for Synthesis of Highly Substituted Pyrazolo[1,2‐a][1,2,4]triazole Derivatives.
Authors: Sajadikhah Seyed S. , Maghsoodlou Malek T. , Hazeri Nourallah , Habibi‐Khorassani Sayyed M.
Published: April 2012

The efficient, simple, and mild synthesis of the title compounds (IV) includes a very easy work‐up procedure.
ChemInform Abstract: Polarity Inversion of Donor—Acceptor Cyclopropanes: Disubstituted δ‐Lactones via Enantioselective Iridium Catalysis.
Authors: Moran Joseph , Smith Austin G. , Carris Ryan M. , Johnson Jeffrey S. , Krische Michael J.
Published: April 2012

In the presence of IRC, the donor—acceptor cyclopropanes (I) and (VI) undergo polarity inversion and react with alcohols and aldehydes to afford hydroxycarboxylic acid esters of type (III)/(VII).
ChemInform Abstract: Synthesis of Chromans via Pd‐Catalyzed Alkene Carboetherification Reactions.
Authors: Ward Amanda F. , Xu Yan , Wolfe John P.
Published: April 2012

The reaction fails with substrates bearing an internal alkene.
ChemInform Abstract: Synthesis and Reactivity of Novel 1H‐Isochromeno[3,4‐d]imidazol‐1‐onium Salts.
Authors: Roman Bart I. , Guegan Marie , De Vos Nils , Maton Cedric , Stevens Christian V.
Published: April 2012

The nature of the anion has a major influence on the melting point of the title imidazolium salts.
ChemInform Abstract: Efficient Synthesis of Methyl 4‐Chloro‐6‐fluoro‐3‐formyl‐2H‐chromene‐2‐carboxylate and Its Derivatives.
Authors: Kysil Andrii I. , Moskvina Viktoria S. , Gorichko Marian V. , Khilya Volodimyr P.
Published: April 2012

Title compound (III), conveniently synthesized from chromanone derivative (I) using Vilsmeier reagent, undergoes condensation and cyclization reactions with active methylene compounds.
ChemInform Abstract: Intrinsically Thermochromic Fluorans.
Authors: Azizian Farid , Field Amanda J. , Heron B. Mark , Kilner Colin
Published: April 2012

The synthesis of some novel fluorans using a Suzuki coupling strategy is described.
ChemInform Abstract: Rare‐Earth‐Catalyzed C—H Bond Addition of Pyridines to Olefins.
Authors: Guan Bing‐Tao , Hou Zhaomin
Published: April 2012

Complexes (I) promote the ortho‐selective addition of pyridines to various olefins.
ChemInform Abstract: Ligand‐Promoted C3‐Selective Arylation of Pyridines with Pd Catalysts: Gram‐Scale Synthesis of (.+‐.)‐Preclamol.
Authors: Ye Mengchun , Gao Guo‐Lin , Edmunds Andrew J. F. , Worthington P. A. , Morris James A. , Yu Jin‐Quan
Published: April 2012

The first example of Pd‐catalyzed C3‐selective arylation of unprotected pyridines is developed using a catalyst generated in situ from Pd(OAc)2 and phenanthroline.
ChemInform Abstract: Regioselective α‐Monochlorination of N‐Protected‐3‐piperidones.
Authors: Chauhan Pradeep S. , Majireck Max M. , Weinreb Steven M.
Published: April 2012

Compounds (I) are prepared from 3‐hydroxypiperidine in 2 steps.
ChemInform Abstract: Asymmetric Synthesis of Tetrahydroquinolines with Quaternary Stereocenters Through the Povarov Reaction.
Authors: Xie Mingsheng , Liu Xiaohua , Zhu Yin , Zhao Xiaohu , Xia Yong , Lin Lili , Feng Xiaoming
Published: April 2012

An efficient and highly stereoselective method to prepare title compounds is reported.
ChemInform Abstract: CF2‐Containing Acetylenephosphonates in Heterocyclization Reactions: The First Synthesis of 2‐Difluoromethyl Azaxanth‐3‐ylphosphonates.
Authors: Duda Blazej , Tverdomed Sergey N. , Roeschenthaler Gerd‐Volker
Published: April 2012

The presence of a fluorinated substituent determines the regioselectivity as well as the reactivity of this process.
ChemInform Abstract: BF3·OEt2‐Mediated 1,3‐Hydride Shift Followed by 6π Electrocyclization: An Efficient Route for the Synthesis of Pyridopyrimidine, Pyranoquinoline, and Phenanthroline Derivatives.
Authors: Majumdar Krishna C. , Ponra Sudipta , Nandi Raj Kumar
Published: April 2012

A variety of potentially bioactive pyridopyrimidine (III), (VI), pyranoquinoline and phenanthroline derivatives (VIII) is prepared by BF3·OEt2‐catalyzed cyclization of heterocycle‐based aminopentadienes (I) and (VII) with aromatic aldehydes as well as formaldehyde.
ChemInform Abstract: Enamino Esters in the Synthesis of Heterocyclic Systems. Transformation of Dimethyl Acetone‐1,3‐dicarboxylate into Polysubstituted 1,6‐Naphthyridine‐8‐carboxylates.
Authors: Sporar Joze , Bezensek Jure , Ursic Uros , Golobic Amalija , Svete Jurij , Stanovnik Branko
Published: April 2012

8 Title compounds of type (V) are prepared.
ChemInform Abstract: Synthetic Approach to N,N,N′,N′‐Tetrakis[(2‐pyridylmethyl)ethylenediamine] (TPEN) Derivatives Through Ruthenium‐Catalyzed‐[2 + 2 + 2]cycloaddition.
Authors: Miyazaki Yuji , Tanaka Fujimaru , Takeshita Kenji , Mori Atsunori
Published: April 2012

Compound (Vc) is copolymerized with N‐isopropyl acrylamide to form a TREN‐NIPA gel which is employed to perform temperature‐dependent extraction of Cd2+ ions.
ChemInform Abstract: Synthesis of Highly Substituted Dihydropyrrolophenanthridine Derivatives by Tandem Reaction.
Authors: Hu Yimin , Zhu Tao , Mu Xiaolong , Zhao Quansheng , Yu Tao , Wen Lei , Zhang Yulong , Wu Min , Zhang Hao
Published: April 2012

A direct, efficient, and economic methodology for the synthesis of the title compounds by novel domino reaction of 1,6‐diynes with bromo(iso)quinoline or 3‐bromopyridine is reported.
ChemInform Abstract: An Efficient Synthesis of Fluorescent Spiro[benzopyrazoloquinoline‐indoline]triones and Spiro[acenaphthylenebenzopyrazoloquinoline]triones
Authors: Dabiri Minoo , Tisseh Zeinab Noroozi , Bazgir Ayoob
Published: April 2012

via facile three‐component condensation reactions
ChemInform Abstract: Asymmetric Dearomatization of Pyrroles via Ir‐Catalyzed Allylic Substitution Reaction: Enantioselective Synthesis of Spiro‐2H‐pyrroles.
Authors: Zhuo Chun‐Xiang , Liu Wen‐Bo , Wu Qing‐Feng , You Shu‐Li
Published: April 2012

In most cases, (Ra)‐(I) is the catalyst of choice to prepare the synthetically important subunits with excellent enantioselectivity.
ChemInform Abstract: One‐Pot Synthesis of [1,2,3]Triazole‐Fused Pyrazinopyridazindione Tricycles by a “Click and Activate” Approach.
Authors: Qian Wenyuan , Winternheimer David , Amegadzie Albert , Allen Jennifer
Published: April 2012

The one‐pot synthesis of title compounds (IV) and (VII) is achieved via sequential azide formation, 1,3‐dipolar cycloaddition, nucleophilic substitution, and subsequent cyclization.
ChemInform Abstract: Synthesis of Benzoxazine and 1,3‐Oxazine Derivatives via Ligand‐Free Copper(I)‐Catalyzed One‐Pot Cascade Addition/Cyclization Reaction.
Authors: Shen Guodong , Chen Dingben , Zhang Yiliang , Sun Manman , Chen Kai , Jin Cong , Li Kaining , Bao Weiliang
Published: April 2012

A new synthetic methodology for benzoxazine and 1,3‐oxazine derivatives via readily available starting materials and relatively mild conditions is presented.
ChemInform Abstract: Temperature‐Dependent Regioselective Synthesis of 1,2,4‐Triazino[2,3‐b]indazoles and 3H‐1,4‐Benzodiazepines by Domino‐Staudinger/Aza‐Wittig/Isomerization Reaction.
Authors: Xie Hai , Yu Jian‐Bo , Ding Ming‐Wu
Published: April 2012

The reaction of o‐azidobenzaldimines (I) with triphenylphosphine at room temperature proceeds via a domino Staudinger—aza‐Wittig—isomerization pathway to give title triazinoindazoles (II) as potentially biologically active derivatives.
ChemInform Abstract: Molecular Iodine Mediated One Step Synthesis and Antibacterial Properties of Some 3‐Aryl‐6‐(6‐substituted‐4‐methylcinnolin‐3‐yl)‐7H‐1,2,4‐triazolo [3,4‐b][1,3,4]thiadiazines.
Authors: Jakhar Anshu , Makrandi J. K.
Published: April 2012

Novel cinnoline derivatives (III) are synthesized in a facile one‐step procedure mediated by molecular iodine.
ChemInform Abstract: Synthesis of Functionalized Polycyclic Compounds: Rhodium(I)‐Catalyzed Intramolecular Cycloaddition of Yne and Ene Vinylidenecyclopropanes.
Authors: Lu Bei‐Li , Shi Min
Published: April 2012

Yne vinylidenecyclopropanes (I) undergo Rh‐catalyzed intramolecular [2 + 2] cycloaddition to provide tricyclic products (II), whereas the ene substrates (III) and (V) give azacycloctene derivatives.
ChemInform Abstract: Oxaheterocycles: Di‐ and Trioxabenzo[3,4]cyclohepta[1,2‐a]naphthalene‐6,7‐diones and Dibenzo[a,c]cycloheptene‐3‐carbonitriles.
Authors: Maurya Hardesh K. , Pratap Ramendra , Tandon Vishnu K. , Mishra Pushyamitra , Kumar Brijesh , Ram Vishnu Ji
Published: April 2012

Reactions with aryl methyl ketones (IV) are used for the preparation of various polycyclic ring systems, e.g. (V) and (VIII).
ChemInform Abstract: Synthesis of Chiral Benzoxa(thia)zepine and Pyridoxazepine Derivatives Using Palladium‐Catalyzed Intramolecular Aryl Amination Reaction.
Authors: Adhikary Nirmal Das , Chattopadhyay Partha
Published: April 2012

An efficient route to furo‐benzoxa(thia)zepine derivatives is reported starting from a D‐glucose‐derived substrate (I).
ChemInform Abstract: Use of Hemilabile N,N Ligands in Nitrogen‐Directed Iridium‐Catalyzed Borylations of Arenes.
Authors: Ros Abel , Estepa Beatriz , Lopez‐Rodriguez Rocio , Alvarez Eleuterio , Fernandez Rosario , Lassaletta Jose M.
Published: April 2012

The Ir‐catalyzed nitrogen‐directed ortho‐borylation of pyridyl/isoquinolinyl‐substituted arenes (I), (VI) and (VIII) is readily achieved in the presence of a hemilabile pyridinylhydrazone ligand.
ChemInform Abstract: One‐Pot Three‐Component Catalytic Enantioselective Synthesis of Homoallylboronates.
Authors: Ihrahem Ismail , Breistein Palle , Cordova Armando
Published: April 2012

The novel one‐pot procedure is includes asymmetric hydroboration of α,β‐unsaturated aldehydes followed by Wittig olefination to yield chiral homoallyl boronates.
ChemInform Abstract: Rh‐Catalyzed ortho‐Selective C—H Borylation of N‐Functionalized Arenes with Silica‐Supported Bridgehead Monophosphine Ligands
Authors: Kawamorita Soichiro , Miyazaki Tatsuya , Ohmiya Hirohisa , Iwai Tomohiro , Sawamura Masaya
Published: April 2012

yields are based on dipinacolylborane
ChemInform Abstract: Reactions of an Overcrowded Silylene with Pyridines: Formation of a Novel 2H‐1,2‐Azasilepine and Its Further Cycloaddition.
Authors: Mizuhata Yoshiyuki , Sato Takahiro , Tokitoh Norihiro
Published: April 2012

Different reaction pathways are observed when the silylene, generated in situ from (I), reacts with pyridine or DMAP to give (III) or (V).
ChemInform Abstract: Efficient One‐Pot Synthesis of β‐Phosphono Malonates and 2‐Amino‐4H‐chromen‐4‐ylphosphonate Derivatives by Ethylenediamine Diacetate‐Catalyzed Three‐Component Reactions.
Authors: Kolla Srinivasa Rao , Lee Yong Rok
Published: April 2012

The value of the reported synthesis lies in its mild reaction catalyst and conditions, good yields, and ease of handling.
ChemInform Abstract: Chalcogenoacetylenes Obtained by Indium(III) Catalysis: Dual Catalytic Activation of Diorgano Dichalcogenides and Csp—H Bonds.
Authors: Rampon Daniel S. , Giovenardi Rodrigo , Silva Tiago L. , Rambo Raoni S. , Merlo Aloir A. , Schneider Paulo H.
Published: April 2012

The mild and efficient procedure allows the preparation of a broad spectrum of selenides and analogues (X) bearing terminal alkyne residues.
ChemInform Abstract: Direct C—O Bond Activation Mediated by AcOH: A New Metal‐Free Way for α‐Functionalization of Ferrocene Alcohols.
Authors: Jiang Ran , Chu Xue‐Qiang , Xu Xiao‐Ping , Wu Bin , Ji Shun‐Jun
Published: April 2012

α‐Functionalization of ferrocenyl alcohols with various C‐, N‐, O‐ and S‐nucleophiles proceeds smoothly at room temperature in acetic acid.
ChemInform Abstract: Preparation and Optical and Electrochemical Properties of Unsymmetrical Phthalocyanines with One or Two TTF Units.
Authors: Kimura Takeshi , Takahashi Nobuhiro , Tajima Tomoyuki , Takaguchi Yutaka
Published: April 2012

Unsymmetrical phthalocyanines, e.g. (III), with one tetrathiafulvalene unit are prepared.
ChemInform Abstract: First Enantiospecific Synthesis of Marine Sesquiterpene Quinol Akaol A.
Authors: Alvarez‐Manzaneda Enrique , Chahboun Rachid , Alvarez Esteban , Fernandez Antonio , Alvarez‐Manzaneda Ramon , Haidour Ali , Ramos Jose Miguel , Akhaouzan Ali
Published: April 2012

Key steps of the title synthesis are the oxidative degradation of (‐)‐sclareol (I), the diastereoselective alkylation of aldehyde (III) and the Diels—Alder cycloaddition of dienol ether (IX).
ChemInform Abstract: Hydrangenone, a New Isoprenoid with an Unprecedented Skeleton from Salvia hydrangea.
Authors: Moridi Farimani M. , Taheri Salman , Ebrahimi Samad N. , Bahadori M. Babak , Khavasi Hamid R. , Zimmermann Stefanie , Brun Reto , Hamburger Matthias
Published: April 2012

Compound (I) shows in vitro a moderate antiplasmodial activity in vitro.
ChemInform Abstract: Practical Synthesis of DOPA Derivative for Biosynthetic Production of Potent Antitumor Natural Products, Saframycins and Ecteinascidin 743.
Authors: Torikai Kohei , Saruwatari Takayoshi , Kitano Tatsuya , Sano Takuya , Nakane Atsuko , Noguchi Hiroshi , Watanabe Kenji
Published: April 2012

The features in the synthesis of title compound (X) are higher reproducibility, more facile handling without needs of setting dry and inert conditions, easy purification of (X) by recrystallization, and much better scalability.
ChemInform Abstract: Asymmetric Conjugate Addition of Glycine Derivatives under Copper Catalysis.
Authors: Strohmeier Mark , Leach Kevin , Zajac Matthew A.
Published: April 2012

A practical procedure for the enantioselective reaction between α,β‐unsaturated ketones and glycine imines is described using a FOXAP‐type ferrocene as optimal ligand.
ChemInform Abstract: Chemo‐Enzymatic Synthesis of 1′‐Photoreactive Sucrose Derivatives via Ether Linkage.
Authors: Hashimoto Makoto , et al. et al.
Published: April 2012

1‐Phenoxy‐substituted derivatives of sucrose of type (V) are prepared using alcalase for the chemo‐enzymatic deprotection at the 1‐position.
ChemInform Abstract: Model Studies Towards the Total Synthesis of the Stemona Alkaloid 1‐Hydroxyprotostemonine: Synthesis of ent‐1‐Hydroxystemoamide.
Authors: Swamy Nalivela Kumara , Pyne Stephen G.
Published: April 2012

As part of a model study towards the total synthesis of the title alkaloid, the synthesis of an A‐B‐C ring precursor, ent‐1‐hydroxystemoamide (XII), is achieved starting from (L)‐malic acid.
ChemInform Abstract: Synthesis of Nalbuphine from Oripavine via N‐Demethylation of N‐Cyclobutylmethyl Oripavine.
Authors: Machara Ales , Cox D. Phillip , Hudlicky Tomas
Published: April 2012

The synthesis of nalbuphine (VI) from oripavine (I) requires only five chemical transformations and is conducted with an overall yield of 45%, in contrast to current methods requiring seven to ten steps.
ChemInform Abstract: A Facile and Improved Synthesis of Desomorphine and Its Deuterium‐Labeled Analogue.
Authors: Srimurugan Sankareswaran , Su Chi‐Ju , Shu Hun‐Chi , Murugan Kaliyappan , Chen Chinpiao
Published: April 2012

Title compound (IV) is synthesized starting from codeine with an overall yield of 38%.
ChemInform Abstract: Rational Design, Synthesis, SAR Study of N‐Naphthalen‐1‐yl‐2‐[4‐(substituted phenyl)‐piperazin‐1‐yl]‐acetamides as Atypical Antipsychotic Agents.
Authors: Sati N. , Kumar S. , Rawat M. S. M.
Published: April 2012

Design and synthesis are carried out on the basis of structural information available for dopamine D3 and serotonin receptor.
ChemInform Abstract: An Alternative to Nitromethane as Solvent: The Promoting Influence of Nitro‐Functionalized Imidazolium Salts for Synthesis and Catalysis.
Authors: Ren Yajun , Li Minghao , Yang Jie , Peng Jiajian , Gu Yanlong
Published: April 2012

The replacement of volatile, toxic and explosive nitromethane as solvent in various organic reactions is achieved using nitro‐functionalized ionic liquids like NBIL.
ChemInform Abstract: Focus on the Morphology‐Dependent Nanocatalysis Papers in Chinese Journal of Catalysis of the Year 2010
Authors: Li Yong
Published: April 2012

Review: 65 refs.
ChemInform Abstract: Solidification and Melting of High Temperature Materials: in situ Observations by Synchrotron Radiation
Authors: Shuleshova O. , Loeser W. , Holland‐Moritz D. , Herlach D. M. , Eckert J.
Published: April 2012

Review: 114 refs.
ChemInform Abstract: The Best of Two Worlds from the Gold Catalysis Universe: Making Homogeneous Heterogeneous
Authors: Peixoto de Almeida Miguel , Carabineiro Sonia A. C.
Published: April 2012

Review: 137 refs.
ChemInform Abstract: Catalysts Immobilized on Organic Polymeric Monolithic Supports: From Molecular Heterogeneous Catalysis to Biocatalysis
Authors: Anderson Emily Baird , Buchmeiser Michael R.
Published: April 2012

Review: 144 refs.
ChemInform Abstract: N‐Heterocyclic Carbene Catalyzed Domino Reactions
Authors: Grossmann Andre , Enders Dieter
Published: April 2012

Review: 125 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed Denitrogenative Transannulation: Converting Triazoles into Other Heterocyclic Systems
Authors: Chattopadhyay Buddhadeb , Gevorgyan Vladimir
Published: April 2012

Review: ca. 90 refs.
ChemInform Abstract: Microwave Assisted Organic Synthesis: A Green Chemical Approach
Authors: Ameta Chetna , Ameta Aarti , Ameta Rakshit , Punjabi P. B. , Ameta Suresh C.
Published: April 2012

Review: [265 refs.]
ChemInform Abstract: Stereoselective Nitrogen Heterocycle Synthesis Mediated by Chiral Metal Catalysts
Authors: Chemler Sherry R.
Published: April 2012

Review: 62 refs.
ChemInform Abstract: Dimroth Rearrangement
Authors: Snyder Nicole L. , Adams Taylor P.
Published: April 2012

Review: 93 refs.
ChemInform Abstract: Boulton—Katritzky Rearrangement
Authors: Corbett Michael T. , Mullins Richard J.
Published: April 2012

Review: 64 refs.
ChemInform Abstract: ANRORC Mechanism
Authors: Young Ian S.
Published: April 2012

Review: 22 refs.
ChemInform Abstract: Widman—Stoermer Cinnoline Synthesis
Authors: Eastman Kyle J.
Published: April 2012

Review: 8 refs.
ChemInform Abstract: Gutknecht Pyrazine Synthesis
Authors: Wright Stephen W.
Published: April 2012

Review: 52 refs.
ChemInform Abstract: Borsche Cinnoline Synthesis
Authors: Wright Stephen W.
Published: April 2012

Review: 56 refs.
ChemInform Abstract: Schoellkopf Oxazole Synthesis
Authors: Lanman Brian A. , Han Xiaojun
Published: April 2012

Review: 64 refs.
ChemInform Abstract: Six‐Membered Ring Systems: Pyridines and Benzo Derivatives
Authors: Alford Philip E.
Published: April 2012

Review: 190 refs.
ChemInform Abstract: Five‐Membered Ring Systems: Furans and Benzofurans
Authors: Yeung Kap‐Sun , Peng Xiao‐Shui , Wu Jie , Hou Xue‐Long
Published: April 2012

Review: 250 refs.
ChemInform Abstract: Five‐Membered Ring Systems: Thiophenes and Se/Te Derivatives
Authors: Biehl Edward R.
Published: April 2012

Review: 140 refs.
ChemInform Abstract: Decarboxylative Carbon—Carbon Bond‐Forming Transformations of (Hetero)aromatic Carboxylic Acids
Authors: Cornella Josep , Larrosa Igor
Published: April 2012

Review: ca. 100 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed Synthesis of Aromatic Ketones via Direct C—H Bond Activation
Authors: Pan Changduo , Jia Xiaofei , Cheng Jiang
Published: April 2012

Review: ca. 50 refs.
ChemInform Abstract: Hantzsch Synthesis
Authors: Snyder Nicole L. , Boisvert Christopher J.
Published: April 2012

Review: 97 refs.
ChemInform Abstract: Chichibabin Amination Reaction
Authors: Maklad Noha S.
Published: April 2012

Review: 45 refs.
ChemInform Abstract: Simonis Chromone Synthesis
Authors: Curran Timothy T.
Published: April 2012

Review: 22 refs.
ChemInform Abstract: Robinson—Schoepf Condensation
Authors: Eastman Kyle J.
Published: April 2012

Review: 16 refs.
ChemInform Abstract: Drug Delivery and Imaging with Polydiacetylene Micelles.
Authors: Gravel Edmond , Ogier Julien , Arnauld Thomas , Mackiewicz Nicolas , Duconge Frederic , Doris Eric
Published: April 2012

Review: 20 refs.
ChemInform Abstract: Misfolded Proteins in Alzheimer′s Disease and Type II Diabetes
Authors: DeToma Alaina S. , Salamekh Samer , Ramamoorthy Ayyalusamy , Lim Mi Hee
Published: April 2012

Review: 104 refs.
ChemInform Abstract: MF59® Adjuvanted Seasonal and Pandemic Influenza Vaccines
Authors: Tsai Theodore F.
Published: April 2012

Review: 58 refs.
ChemInform Abstract: Modulating Self‐Assembly of Amyloidogenic Proteins as a Therapeutic Approach for Neurodegenerative Diseases: Strategies and Mechanisms
Authors: Liu Tingyu , Bitan Gal
Published: April 2012

Review: 151 refs.
ChemInform Abstract: Continuous Reactions in Supercritical Carbon Dioxide: Problems, Solutions and Possible Ways Forward
Authors: Han Xue , Poliakoff Martyn
Published: April 2012

Review: 80 refs.
ChemInform Abstract: Cancer Targeted Nanoparticles Specifically Induce Apoptosis in Cancer Cells and Spare Normal Cells
Authors: Kanwar Jagat R. , Kanwar Rupinder K. , Mahidhara Ganesh , Cheung Chun Hei Antonio
Published: April 2012

Review: 51 refs.
ChemInform Abstract: Organic Mixed‐Valence Compounds: A Playground for Electrons and Holes
Authors: Heckmann Alexander , Lambert Christoph
Published: April 2012

Review: 326 refs.
ChemInform Abstract: NMR on Emulsions: Characterisation of Liquid Dispersed Systems
Authors: Bernewitz R. , Guthausen G. , Schuchmann H. P.
Published: April 2012

Review: 98 refs.
A Sensitive Surface‐enhanced Raman Scattering Method for Determination of Melamine with Aptamer‐modified Nanosilver Probe
Authors: Wen Guiqing , Zhou Lianping , Li Tingsheng , Liang Aihui , Jiang Zhiliang
Published: April 2012

The small nanosilver was prepared by the sodium borohydride procedure. The aptamer was used to modify nanosilver to obtain a nanosilver‐aptamer (AgssDNA) SERS probe for the determination of melamine. In pH 6.6 phosphate buffer solution and in the presence of NaCl, the AgssDNA probe specifically combined with melamine to release nanosilver particles that were aggregated to nanosilver clusters, which exhibited SERS effect at 240 cm−1. When melamine concentration increased, the nanosilver clusters increased, and the SERS intensity at 240 cm−1 increased. The increased SERS intensity ΔI240 cm−1 is linear to melamine concentration in the range of 6.3–403.6 μg·L−1, with a detection limit of 1.2 μg·L−1. This assay was applied to determination of melamine in milk, with satisfactory results.
Preparation, Characterization, Biological Activity and 3D Molecular Modeling of Mn(II), Co(II), Ni(II), Cu(II), Pd(II) and Ru(III) Complexes of Some Sulfadrug Schiff Bases
Authors: EL‐Ghamry H. A. , Sakai K. , Masaoka S. , El‐Baradie K. Y. , Issa R. M.
Published: April 2012

Mn(II), Co(II), Ni(II), Cu(II), Pd(II) and Ru(III) complexes of Schiff bases derived from the condensation of sulfaguanidine with 2,4‐dihydroxy benzaldehyde (HL1), 2‐hydroxy‐1‐naphthaldehyde (HL2) and salicylaldehyde (HL3) have been synthesized. The structures of the prepared metal complexes were proposed based on elemental analysis, molar conductance, thermal analysis (TGA, DSC and DTG), magnetic susceptibility measurements and spectroscopic techniques (IR, UV‐Vis, and ESR). In all complexes, the ligand bonds to the metal ion through the azomethine nitrogen and α‐hydroxy oxygen atoms. The structures of Pd(II) complex 8 and Ru(III) complex 9 were found to be polynuclear. Two kinds of stereochemical geometries; distorted tetrahedral and distorted square pyramidal, have been realized for the Cu(II) complexes based on the results of UV‐Vis, magnetic susceptibility and ESR spectra whereas octahedral geometry was predicted for Co(II), Mn(II) and Ru(III) complexes. Ni(II) complexes were predicted to be square planar and tetrahedral and Pd(II) complexes were found to be square planar. The antimicrobial activity of the ligands and their metal complexes was also investigated against the gram‐positive bacteria Staphylococcus aures and Bacillus subtilis and gram‐negative bacteria, Escherichia coli and Pesudomonas aeruginosa, by using the agar dilution method. Chloramphenicol was used as standard compound. The obtained data revealed that the metal complexes are more or less, active than the parent ligand and standard. The X‐ray crystal structure of HL3 has been also reported.
Preparation and Characterization of Fe3O4/Ethiodized‐oil Magnetic Fluids Used in Arterial Embolization Hyperthermia
Authors: Luo Zhi , Wang Yiming , Hong Ruoyu , Li Hongzhong
Published: April 2012

Fe3O4 nanoparticles (NPs) were prepared by the co‐precipitation of Fe3+ and Fe2+ with ammonium hydroxide, and were modified by four different surfactants. The modified Fe3O4 NPs were characterized by Fourier transform infrared spectroscopy, X‐ray powder diffraction, transmission electron microscopy and vibrating sample magnetometer. Then, the modified Fe3O4 NPs were dispersed in ethiodized‐oil by mechanical agitation and ultrasonic vibration to obtain stable Fe3O4/ethiodized‐oil magnetic fluids (MFs). The magnetic properties and rheological properties of the MFs were measured using a Gouy magnetic balance and a rotational rheometer, respectively. The saturation magnetization of the Fe3O4 modified by oleic acid was 52.1 emu/g. Furthermore, the result showed that the inductive heating effect of oleic acid stabilized Fe3O4/ethiodized‐oil MF was remarkable and it only took 650 s for the temperature rising from 25°C to 65°C. The specific absorption rate of the MF was 50.16 W/(g of Fe). It had a potential application in arterial embolization hyperthermia.
Chlorine‐Doped ZnSe Nanoribbons with Tunable n‐Type Conductivity as High‐Gain and Flexible Blue/UV Photodetectors
Authors: Wang Zhi , Jie Jiansheng , Li Fangze , Wang Li , Yan Tianxin , Luo Linbao , Nie Biao , Xie Chao , Jiang Peng , Zhang Xiwei , Yu Yongqiang , Wu Chunyan
Published: April 2012

Although significant progress has been achieved in the fabrication of ZnSe nanostructures with various structures and morphologies, it remains a major challenge to rationally tune their transport properties for applications in future nano‐optoelectronic devices. The synthesis of chlorine‐doped ZnSe nanoribbons (NRs) with tunable n‐type conductivity is achieved by a thermal co‐evaporation method. The ZnSe:Cl NRs have single‐crystal wurtzite structure and [120] orientation, which also show high crystalline quality and structural integrity comparable with the undoped NRs. Electrical measurements on a single ZnSe:Cl NR reveal a substantial enhancement of the conductivity upon Cl doping. The conductivity could be further tuned by adjusting the doping level. In addition, highly sensitive blue/UV photodetectors are constructed based on the ZnSe:Cl NRs. The devices exhibit an extremely high gain of approximately 106, and the UV response could be enhanced through a fast annealing process in air. By replacing the rigid SiO2/Si substrate with a PET substrate, flexible ZnSe:Cl NR photodetectors with excellent stability and durability under strain are realized. It is expected that the ZnSe:Cl NRs with tunable n‐type conductivity will have important applications in the new generation nano‐optoelectronic devices.
Spin‐Polarized Symmetric Electron‐Hole Quantum Bilayers: Finite width Effect
Authors: Nayak M. G. , Saini L. K.
Published: April 2012

In this paper, the effect of finite width on ground‐state properties of a spin‐polarized symmetric electron‐hole quantum bilayers (EHBL) system is investigated at zero temperature. The quantum self‐consistent mean‐field approximation of Singwi, Tosi, Land and Sjölander (qSTLS) is adopted to explore intra‐ and interlayer properties such as the pair‐correlation function, the static density susceptibility, the local‐field corrections and the ground‐state energy. Interestingly, we noticed that due to the inclusion of finite width, the critical density for the onset of Wigner crystal (WC) phase is now lowered as compared to the recent spin‐polarized EHBL system without finite width and unpolarized EHBL system with finite width. Further, spin‐polarization effect is seem to introduce a marked change in the ground‐state energy of EHBL system as compared to that of unpolarized system. Results of ground‐state energy are also compared with the recent EHBL system without finite width (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Pair Interaction Potential of Particles for Two‐Component Plasma
Authors: Moldabekov Zh. A. , Ramazanov T. S. , Dzhumagulova K. N.
Published: April 2012

In this work the semiclassical potential for plasma particles pair interactions, which takes into account the diffraction effects due to the uncertainty principle in two‐component plasma (the region of temperatures 104K < T < 108K and densities 1021cm–3 < n ≤ 1024cm–3), was proposed. The values of this potential were numerically calculated and an interpolation formula was obtained (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Non‐Ideal Dust Structures in Cryogenic Complex Plasmas
Authors: Antipov S. N. , Vasiliev M. M. , Petrov O. F.
Published: April 2012

The possibility of the formation of dust structures in cryogenic environment at 4.2‐77 K was proved experimentally in the previous researches of cryogenic complex (dusty) plasma [1–5]. It was revealed from the experiments, among others, that the dust structures with high concentration of dust particles can be formed, in which interparticle distance is comparable with particle size ‐ super dense dusty plasma structures. Such structures had exotic properties such as globular (spherical) form, free boundaries, etc. In the present work new results on the experimental investigations of new phenomenon of spheroidizing ‐ process of the dust structure transition to compact globular shape at cryogenic temperatures ‐ were presented. Possible nature of such phenomenon is discussed (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Shear Viscosity of Liquid‐Phase Yukawa Plasmas from Molecular Dynamics Simulations on Graphics Processing Units
Authors: Budea Á. , Derzsi A. , Hartmann P. , Donkó Z.
Published: April 2012

We have carried out million‐particle equilibrium molecular dynamics simulations of 3‐dimensional Yukawa liquids in order to determine the shear viscosity coefficient. The computations have been executed on Graphics Processing Unit (GPU) architectures with our largely parallelized code. The results cover the strongly coupled liquid phase, with Γ up to the vicinity of the freezing transition, for the 1 ≤ κ ≤ 3 domain of the screening parameter of the Yukawa potential. The good agreement of the present results with those obtained from earlier simulations of significantly smaller systems (consisting of several hundred to several thousand particles) verifies that the viscosity data derived in these smaller scale simulations are also acceptable (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Anomalous Scenario for Termination of Metastable Melting in Simplified Coulomb Models in the Zero‐Temperature Limit
Authors: Chigvintsev A.Yu. , Iosilevskiy I.L.
Published: April 2012

Two non‐standard scenarios of melting termination in deep metastable states are studied in the zero‐temperature limit on the base of two variants of modified one‐component Coulomb models. These additional scenarios supplement the previously studied standard case of “spinodal decomposition” (Iosilevskiy and Chigvintsev, arXiv:0609059) when liquid binodal of metastable freezing (liquidus) is terminated in intersection with gas‐liquid spinodal. In the first new scenario hypothetical unique crystal‐fluid global phase coexistence is realized as smooth superposition of melting and sublimation transitions (without gas‐liquid transition and corresponding critical point). The second new type of “spinodal decomposition” scenario is related to the situation when solid binodal of metastable melting (solidus) intersects spinodal of metastable isostructural crystal‐crystal phase transition. Modified one‐component Coulomb models allow one to investigate in details all features of such “spinodal decomposition” scenarios (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Reconstructing the orientation distribution of actin filaments in the lamellipodium of migrating keratocytes from electron microscopy tomography data
Authors: Weichsel Julian , Urban Edit , Small J. Victor , Schwarz Ulrich S.
Published: April 2012

Migration of motile cells on flat substrates is usually driven by the polymerization of a flat actin filament network. Theoretical models have made different predictions regarding the distribution of the filament orientation in the lamellipodium with respect to the direction of motion. Here we show how one can automatically reconstruct the orientation distribution of actin filaments in the lamellipodium of migrating keratocytes from electron microscopy tomography data. We use two different image analysis methods, an algorithm which explicitly extracts an abstract network representation and an analysis of the gray scale information based on the structure tensor. We show that the two approaches give similar results, both for simulated data and for electron microscopy tomography data from migrating keratocytes. For the lamellipodium at the leading edge of fast moving cells, we find an orientation distribution that is peaked at +35/−35 degrees. For the lamellipodium at the leading edge of slow moving cells as well as for the lamellipodium at the flanks of fast moving cells, one broad peak around 0 degree dominates the distribution. © 2012 International Society for Advancement of Cytometry
Automated measurement of MIB‐1 positive area as an alternative to counting in follicular lymphoma
Authors: van der Laak Jeroen A. W. M. , van Engelen Nienke , Melissen Maarten , Hebeda Konnie M.
Published: April 2012

Manual counting of MIB‐1 positive cells which has been suggested as an alternative to centroblast counting for the diagnostic grading of follicular lymphoma is a laborious task. In this study, the validity of automated measurement of the MIB‐1 positive area is analyzed as an alternative approach. Archival MIB‐1 stained tissue sections of 15 follicular lymphomas were assessed manually and automatically by three independent observers. Concordance correlation coefficients and coefficients of variation were calculated to study reproducibility and variability of both methods and to compare result from both methods. A good concordance was observed between the two methods. The reproducibility of the automated method was slightly better than the manual counting of positive nuclei. Measurement of MIB‐1 positive surface area may be used as a simple and fast alternative to tedious manual counting of positive nuclei as a potential help in follicular lymphoma grading. © 2012 International Society for Advancement of Cytometry