bluuebunny/crossref_metadata_2025 huggingface dataset:
Experimental and Computational Studies of Anti‐Bredt Amidinium Salts
Authors: Martin David , Lassauque Nicolas , Steinmann Florian , Manuel Gerald , Bertrand Guy
Published: October 2013

Experimental and computational investigations of anti‐Bredt amidinium salts are presented. Calculations show that the pyramidalization of an amino group can significantly destabilize the formal carbocation center of amidiniums, due to the decreased π donation. In some cases, the unfavorable ‐I effect of nitrogen surpasses its beneficial +M effect, and amidiniums become less stable than iminiums. It is shown that although 1‐aza‐3‐azonia[3.3.1]bicyclo‐non‐2‐enes can be isolated, they feature a nonclassical reactivity, which is more typical for iminium than amidinium salts, such as pronounced electrophilicity and azomethineylide instead of carbene formation.
Expanded Organic Building Units for the Construction of Highly Porous Metal–Organic Frameworks
Authors: Kong Guo‐Qiang , Han Zhi‐Da , He Yabing , Ou Sha , Zhou Wei , Yildirim Taner , Krishna Rajamani , Zou Chao , Chen Banglin , Wu Chuan‐De
Published: October 2013

Two new organic building units that contain dicarboxylate sites for their self‐assembly with paddlewheel [Cu2(CO2)4] units have been successfully developed to construct two isoreticular porous metal–organic frameworks (MOFs), ZJU‐35 and ZJU‐36, which have the same tbo topologies (Reticular Chemistry Structure Resource (RCSR) symbol) as HKUST‐1. Because the organic linkers in ZJU‐35 and ZJU‐36 are systematically enlarged, the pores in these two new porous MOFs vary from 10.8 Å in HKUST‐1 to 14.4 Å in ZJU‐35 and 16.5 Å in ZJU‐36, thus leading to their higher porosities with Brunauer–Emmett–Teller (BET) surface areas of 2899 and 4014 m2 g−1 for ZJU‐35 and ZJU‐36, respectively. High‐pressure gas‐sorption isotherms indicate that both ZJU‐35 and ZJU‐36 can take up large amounts of CH4 and CO2, and are among the few porous MOFs with the highest volumetric storage of CH4 under 60 bar and CO2 under 30 bar at room temperature. Their potential for high‐pressure swing adsorption (PSA) hydrogen purification was also preliminarily examined and compared with several reported MOFs, thus indicating the potential of ZJU‐35 and ZJU‐36 for this important application. Studies show that most of the highly porous MOFs that can volumetrically take up the greatest amount of CH4 under 60 bar and CO2 under 30 bar at room temperature are those self‐assembled from organic tetra‐ and hexacarboxylates that contain m‐benzenedicarboxylate units with the [Cu2(CO2)4] units, because this series of MOFs can have balanced porosities, suitable pores, and framework densities to optimize their volumetric gas storage. The realization of the two new organic building units for their construction of highly porous MOFs through their self‐assembly with [Cu2(CO2)4] units has provided great promise for the exploration of a large number of new tetra‐ and hexacarboxylate organic linkers based on these new organic building units in which different aromatic backbones can be readily incorporated into the frameworks to tune their porosities, pore structures, and framework densities, thus targeting some even better performing MOFs for very high gas storage and efficient gas separation under high pressure and at room temperature in the near future.
Titanocene(III)‐Catalyzed 6‐exo Versus 7‐endo Cyclizations of Epoxypolyprenes: Efficient Control and Synthesis of Versatile Terpenic Building Blocks
Authors: Justicia José , Jiménez Tania , Miguel Delia , Contreras‐Montoya Rafael , Chahboun Rachid , Álvarez‐Manzaneda Enrique , Collado‐Sanz Daniel , Cárdenas Diego J. , Cuerva Juan M.
Published: October 2013

In this article, a complete study on the selectivity of titanocene(III) cyclization of epoxypolyprenes is presented. The requirements for the formation of six‐ or seven‐membered rings during these cyclizations are determined, taking into account the different substitution pattern in the epoxypolyprene precursor. Thus, a complete selectivity to 6‐exo or 7‐endo cyclization process has been achieved, yielding mono‐, bi‐, and even tricyclic compounds, constituting a new and efficient access to this type of derivative. Additionally, this procedure opens the possibility to prepare excellent building blocks for the synthesis of polycyclic compounds with a trisubstituted oxygenated function, which is present in several natural terpenes.
ChemInform Abstract: Barium Dierbium(III) Tetrasulfide.
Authors: Mesbah Adel , Stojko Wojciech , Ibers James A.
Published: October 2013

Orange needles of BaEr2S4 are obtained during an investigation of the Ba/Er/U/S system by solid state reaction of a mixture of 238U, Er, BaS, and S in the ratio 1:1:3:3 (evacuated C‐coated fused silica tube, 1273 K, 8 d, cooling rate 3 K/h) together with black crystals of Sb2S3 and US2.
ChemInform Abstract: Dipotassium Hydrogencarbonate Fluoride Monohydrate.
Authors: Kahlenberg Volker , Schwaier Timo
Published: October 2013

Single crystals of K2(HCO3)F·H2O are obtained as by‐product of a flux synthesis of potassium rare earth silicates.
ChemInform Abstract: Ba2Sb4GeS10.
Authors: Geng Lei
Published: October 2013

The title compound is prepared by solid state reaction of a stoichiometric mixture of BaS, Sb, Ge, and S (evacuated silica ampoule, 1173 K, 10 h).
ChemInform Abstract: Stability of Ruddlesden—Popper‐Structured Oxides in Humid Conditions.
Authors: Lehtimaeki M. , Yamauchi H. , Karppinen M.
Published: October 2013

The influence of oxygen content of the Ruddlesden—Popper‐structured oxides Sr3FeMO7‐δ (M: Ni, Mn, Ti) on the water‐intercalation reaction is investigated.
ChemInform Abstract: Asymmetric Synthesis of Carbocycles: Use of Intramolecular Conjugate Displacement.
Authors: Sreedharan Dinesh , Clive Derrick L. J.
Published: October 2013

Intramolecular conjugate displacement (ICD) is applied to the Morita—Baylis—Hillman adducts formed from L‐menthyloxy substituted furanones and aldehydes that are substituted in the γ‐ or δ‐position by geminal phenylthio groups.
ChemInform Abstract: Aerobic Oxidative N‐Dealkylation of Tertiary Amines in Aqueous Solution Catalyzed by Rhodium Porphyrins
Authors: Ling Zhen , Yun Lin , Liu Lianghui , Wu Bing , Fu Xuefeng
Published: October 2013

yields are not given
ChemInform Abstract: Direct Synthesis of Amides from Carboxylic Acids and Amines Using B(OCH2CF3)3.
Authors: Lanigan Rachel M. , Starkov Pavel , Sheppard Tom D.
Published: October 2013

A wide range of amides is available by the procedure.
ChemInform Abstract: Conjugated Enyne Synthesis by Rearrangement of Acetylenic Epoxides Mediated by Low‐Valence Organotitanium and Organozirconium Reagents.
Authors: Denichoux Aurelien , Cyklinsky Mathieu , Chemla Fabrice , Ferreira Franck , Perez‐Luna Alejandro
Published: October 2013

Deoxygenation of epoxides with Negishi reagents, generated in situ, offers a convenient synthesis of the target compounds with excellent (E)‐selectivity.
ChemInform Abstract: Carbamoyl Anion Addition to N‐Sulfinyl Imines: Highly Diastereoselective Synthesis of α‐Amino Amides.
Authors: Reeves Jonathan T. , et al. et al.
Published: October 2013

This firstly presented asymmetric addition reaction is simple, atom‐economical, and gives direct access to a wide range of different substituted α‐amido amides as well as to dipeptides, e.g. compound (VI).
ChemInform Abstract: Copper‐Catalyzed Aerobic Oxidative Amination of Arylboronic Acid with Aminal under Base‐Free Conditions.
Authors: Zhou Yanping , Xie Yinjun , Yang Lei , Xie Pan , Huang Hanmin
Published: October 2013

Amination is carried out in the presence of air with symmetrical aminals to give the products in moderate yields.
ChemInform Abstract: Stereoselective Tandem Ring Opening of Imidazoles with Electron‐Deficient Acetylenes and Water: Synthesis of Functionalized (Z,Z)‐1,4‐Diaza‐2,5‐dienes.
Authors: Trofimov Boris A. , Andriyankova Ludmila V. , Nikitina Lina P. , Belyaeva Kseniya V. , Mal'kina Anastasia G. , Sobenina Lubov N. , Afonin Andrei V. , Ushakov Igor A.
Published: October 2013

The products bearing the formyl and acyl functions are previously unknown and are obtained with complete (Z)‐selectivity.
ChemInform Abstract: Catalytic Hydrogenation of Unactivated Amides Enabled by Hydrogenation of Catalyst Precursor.
Authors: Miura Takashi , Held Ingmar E. , Oishi Shunsuke , Naruto Masayuki , Saito Susumu
Published: October 2013

A sterically congested Ru‐complex combined with a bulky base is used as catalyst for the hydrogenolytic cleavage of amides to alcohols and amines.
ChemInform Abstract: Pseudo Five‐Component Process for the Synthesis of Functionalized Tricarboxamides Using CuI Nanoparticles as Reusable Catalyst.
Authors: Ziarati Abolfazl , Safaei‐Ghomi Javad , Rohani Sahar
Published: October 2013

Notable features of the process for the preparation of the biologically interesting title compounds are the mild conditions, the excellent yield and the short reaction time.
ChemInform Abstract: Efficient C—H/C—N and C—H/C—CO—N Conversion via Decatungstate‐Photoinduced Alkylation of Diisopropyl Azodicarboxylate.
Authors: Ryu Ilhyong , Tani Akihiro , Fukuyama Takahide , Ravelli Davide , Montanaro Sara , Fagnoni Maurizio
Published: October 2013

In some cases the choice of the irradiation source plays a crucial role in the yield of the products obtained.
ChemInform Abstract: Enantioselective Direct Fluorination and Chlorination of Cyclic β‐Ketoesters Mediated by Phase‐Transfer Catalysts.
Authors: Luo Jie , Wu Wenqin , Xu Li‐Wen , Meng Yuezhong , Lu Yixin
Published: October 2013

The introduction of a halogen‐containing chiral quaternary center is best achieved for the bicyclic system (I) under optimized conditions.
ChemInform Abstract: Nucleophile‐Directed Selective Transformation of cis‐1‐Tosyl‐2‐tosyloxymethyl‐3‐(trifluoromethyl)aziridine into Aziridines, Azetidines, and Benzo‐Fused Dithianes, Oxathianes, Dioxanes, and (Thio)morpholines.
Authors: D'hooghe Matthias , et al. et al.
Published: October 2013

Aziridine (IV) is obtained in three steps including reduction of the ester moiety, hydrogenation and tosylation.
ChemInform Abstract: Palladium‐Catalyzed Intramolecular Direct Arylation of 2‐Bromo‐diaryl Sulfoxides via C—H Bond Activation.
Authors: Wesch Thomas , Berthelot‐Brehier Anais , Leroux Frederic R. , Colobert Francoise
Published: October 2013

The new strategy provides various dibenzothiophene‐S‐oxides in excellent yields by using easily accessible bromo‐diaryl sulfoxides as starting materials.
ChemInform Abstract: The Development of a One Pot, Regiocontrolled, Three‐Component Reaction for the Synthesis of Thieno[2,3‐c]pyrroles.
Authors: Hong Cynthia M. , Statsyuk Alexander V.
Published: October 2013

The reaction is conducted under environmentally benign conditions.
ChemInform Abstract: TiO2 Nanoparticles as an Efficient Catalyst for the One‐Pot Preparation of Tetrahydrobenzo[c]acridines in Aqueous Media.
Authors: Abdolmohammadi Sharzad , Mohammadnejad Mahdieh , Shafaei Faezeh
Published: October 2013

The advantages of this novel multicomponent reaction protocol are operational simplicity, easy work up, reusability of the catalyst and an environmentally friendly procedure.
ChemInform Abstract: Synthesis of 2‐R‐1,3‐Dioxanes, Derivatives of Functionally Substituted Aldehydes of Vanillin Series.
Authors: Dikusar E. A. , et al. et al.
Published: October 2013

The reaction is conducted in the presence of sulfo cation exchanger FIBAN K‐1.
ChemInform Abstract: Synthesis, Characterization and Biological Activity of New Cyclization Products of 3‐(4‐Substituted benzylidene)‐2H‐pyrido[1,2‐a]pyrimidine‐2,4‐(3H)‐diones (I).
Authors: Bishnoi Abha , Singh Suruchi , Tiwari Anil K. , Srivastava Krishna , Raghuvir Ram , Tripathi Chandrakant M.
Published: October 2013

New compounds (IIId) and (IIIe) having benzo[d][1,3]dioxole as a substituent show excellent activity against both bacterial and fungal strains.
ChemInform Abstract: Simple Approach to the Synthesis of 3‐Fluoro Pyrazolo[1,5‐a]pyrimidine Analogues.
Authors: Abed Hassen Bel , Mammoliti Oscar , Van Lommen Guy , Herdewijn Piet
Published: October 2013

Condensation of pyrazole (III) with propenones (IV) or diester (VI) provides the desired heterocyclic skeleton.
ChemInform Abstract: A Short Preparation of Pyrroloquinoxalinones via a Cascade Reaction of N‐Aryl‐5‐alkylamino‐2‐nitrosoanilines with Methyl 2‐Cyanoalkanoates: Unexpected Direction of Nucleophilic Substitution of Hydrogen.
Authors: Krolikiewicz Magdalena , Cmoch Piotr , Wrobel Zbigniew
Published: October 2013

The bisheteroannulation to produce the title compounds (III) involves condensation of a cyanoester anion with the nitroso group of substrates (I), unusual nucleophilic substitution of hydrogen with a second anion, and double intramolecular acylation.
ChemInform Abstract: FeCl3‐Diorganyl Dichalcogenides Promoted Cyclization of 2‐Organochalcogen‐3‐alkynylthiophenes: Synthesis of Chalcogenophene[2,3‐b]thiophenes.
Authors: Stein Andre L. , Bilheri Filipe N. , Rosario Alisson R. , Zeni Gilson
Published: October 2013

The reaction proceeds exclusively via a 5‐endo‐dig cyclization.
ChemInform Abstract: Design, Synthesis and Cytotoxicity of Cell Death Mechanism of Rotundic Acid Derivatives.
Authors: He Yu‐Fang , Nan Min‐Lun , Sun Jia‐Ming , Meng Zhao‐Jie , Li Wei , Zhang Ming
Published: October 2013

A series of rotundic acid derivatives (16 examples) modified at C‐3, C‐23, C‐28 are synthesized and screened for their cytotoxicity.
ChemInform Abstract: Metal‐Supported Catalysts Encapsulated in Mesoporous Solids: Challenges and Opportunities of a Model Concept
Authors: Gruenert Wolfgang , Gies Hermann , Muhler Martin , Polarz Sebastian , Lehmann Christian W. , Grossmann Dennis , van den Berg Maurits , Tkachenko Olga P. , De Toni Andrea , Sinev Ilya , et al. et al.
Published: October 2013

Review: 39 refs.
ChemInform Abstract: [Fe]‐Hydrogenase and Models That Contain Iron—Acyl Ligation
Authors: Schultz Katherine M. , Chen Dafa , Hu Xile
Published: October 2013

Review: 39 refs.
ChemInform Abstract: Reproducibility and Scalability of Microwave‐Assisted Reactions
Authors: Diaz‐Ortiz Angel
Published: October 2013

Review: 55 refs.
ChemInform Abstract: Microwave Synthesis as a Part of Green Chemistry for the Synthesis of Novel 1,2,4‐Triazole Derivatives
Authors: Chawla Anshul , Kaur Prabhdeep
Published: October 2013

Review: 79 refs.
ChemInform Abstract: Metal‐Catalyzed Double Migration Cascade Reactions of Propargylic Esters and Phosphates
Authors: Shiroodi Roohollah Kazem , Gevorgyan Vladimir
Published: October 2013

Review: 50 refs.
ChemInform Abstract: sp2 C—H Bond Activation in Water and Catalytic Cross‐Coupling Reactions
Authors: Li Bin , Dixneuf Pierre H.
Published: October 2013

Review: about 100 refs.
ChemInform Abstract: Polymorphism in Organic Crystal Structure
Authors: Bharat Z. Dholakiya , Mahesh H. Malani , Jigarkumar R. Patel , Bhaveshkumar D. Dhorajiya
Published: October 2013

Review: 30 refs.
ChemInform Abstract: Fluorescent Monomers as Building Blocks for Dye Labeled Polymers: Synthesis and Application in Energy Conversion, Biolabeling and Sensors
Authors: Breul Alexander M. , Hager Martin D. , Schubert Ulrich S.
Published: October 2013

Review: 271 refs.
ChemInform Abstract: The Structure of Isoflavones by 1D and 2D Homonuclear and Heteronuclear NMR Spectroscopy
Authors: Wahala Kristiina , Deb Somdatta , Hase Tapio
Published: October 2013

Review: 24 refs.
ChemInform Abstract: Protein Structure Determination by Solid‐State NMR
Authors: Zhao Xin
Published: October 2013

Review: 193 refs.
ChemInform Abstract: Magnetocaloric Effect in AlFe2B2: Toward Magnetic Refrigerants from Earth‐Abundant Elements.
Authors: Tan Xiaoyan , Chai Ping , Thompson Corey M. , Shatruk Michael
Published: October 2013

The title compound is synthesized from the elements either by arc‐meltingand subsequent annealing at 1173 K for 7 d or by reaction in a Ga flux (alumina crucible, 1173 K, 7 d).
ChemInform Abstract: SiGe Porous Nanorod Arrays as High‐Performance Anode Materials for Lithium‐Ion Batteries.
Authors: Yu Jingxue , Du Ning , Wang Jiazheng , Zhang Hui , Yang Deren
Published: October 2013

ZnO nanorod arrays are produced on a Cu substrate by reactive sputtering of Zn in O2‐containing atmosphere followed by soaking in aqueous Zn(NO3)2 and hexamethylenetetramine.
ChemInform Abstract: Synthesis, Single‐Crystal Structure, and Optical Absorption of Rb2Th7Se15.
Authors: Koscielski Lukasz A. , Pozzi Eric A. , Van Duyne Richard P. , Ibers James A.
Published: October 2013

The title compound is prepared by solid state reaction of Th, Se, and Rb2Se3 in the presence of Ge (evacuated silica tube, 1273 K, 99 h, 5 wt.% yield).
ChemInform Abstract: A General, Enantioselective Synthesis of β‐ and γ‐Fluoroamines.
Authors: O'Reilly Matthew C. , Lindsley Craig W.
Published: October 2013

An efficient enantioselective conversion of different aldehydes (I) to β‐fluoro alcohols is developed as well as conversion of these products to enantioenriched β‐ and γ‐fluoroamines.
ChemInform Abstract: Cobalt‐Catalyzed ortho‐Alkenylation of Aromatic Aldimines via Chelation‐Assisted C—H Bond Activation.
Authors: Yamakawa Takeshi , Yoshikai Naohiko
Published: October 2013

ortho‐Alkenylation of a variety of aromatic aldimines with internal alkynes is developed using a catalyst generated from CoBr2, triarylphosphine and iPrMgBr.
ChemInform Abstract: Base and Solvent Mediated Decomposition of Tosylhydrazones: Highly Selective Synthesis of N‐Alkyl Substituted Hydrazones, Dialkylidenehydrazines, and Oximes.
Authors: Sha Qiang , Wei Yunyang
Published: October 2013

Base‐ and solvent‐controlled decomposition pathways of tosylhydrazones are explored.
ChemInform Abstract: Heck Reaction of ortho‐Substituted Iodobenzenes with α,β‐Unsaturated Nitriles as a Key Step in the Synthesis of Tetrahydro‐2‐benzazepines and Hexahydro‐3‐benzazocines.
Authors: Hasebein Peer , Aulinger Katharina , Schepmann Dirk , Wuensch Bernhard
Published: October 2013

A novel strategy for the synthesis of benzazepine and benzazocine derivatives using the title key step is developed.
ChemInform Abstract: A Simple Separation Method for (S)‐Hydroxynitrile Lyase from Cassava and Its Application in Asymmetric Cyanohydrination.
Authors: Zheng Zubiao , Zi Yan , Li Zhongzhou , Zou Xinzhuo
Published: October 2013

The use of a water/iPr2O system with the title enzyme, NaCN and acetic acid is crucial for improving the enantioselectivity by minimizing the non‐enzymatic reaction and randomization.
ChemInform Abstract: Synthesis of 1‐Carbamatoalkyl‐2‐naphthols in Tween® 20 Aqueous Micelles.
Authors: Yang Jin‐ming , Jiang Chen‐njing , Dong Hao , Fang Dong
Published: October 2013

by a one‐pot multicomponent reaction of 2‐naphthol, aldehydes and carbamates (18 examples)
ChemInform Abstract: A Convenient Synthesis of Chiral Vinyl Aziridines via Aza—Barbier—Darzen Type Reaction.
Authors: Liu Wen‐Jie , Zhao Yun‐Hui , Sun Xing‐Wen
Published: October 2013

A simple protocol is described for the zinc promoted aza‐Barbier—Darzen type reaction of imines (I) with dibromopropene (II) to give optically active trans‐2‐substituted vinyl aziridines in moderate yields and high diastereoselectivities.
ChemInform Abstract: A Convenient Synthesis of 2‐Azetidinones via 2‐Fluoro‐1‐methylpyridinium p‐Toluenesulfonate.
Authors: Zarei Maaroof
Published: October 2013

Azetidinones [(III), (V), and (VII)] are synthesized efficiently using title tosylate as acid activator.
ChemInform Abstract: Sulfur Heterocyclization and 1,3‐Migration of Silicon in Reaction of 1,3‐Diynes with Sodium Triisopropylsilanethiolate: One‐Pot Synthesis of 2,5‐Disubstituted 3‐(Triisopropylsilyl)thiophenes.
Authors: Tang Jialiang , Ming Ling , Zhao Xiaoming
Published: October 2013

Optimized conditions allow the synthesis of the title compounds (III).
ChemInform Abstract: Efficient Access to Trifluoromethyl Diarylpyrrolines and Their N‐Oxides Through Enantioselective Conjugate Addition of Nitromethane to β,β‐Disubstituted Enones.
Authors: Kawai Hiroyuki , Yuan Zhe , Kitayama Takashi , Tokunaga Etsuko , Shibata Norio
Published: October 2013

The highly enantioselective conjugate addition of nitromethane to β‐aryl‐β‐trifluoromethyl aryl enones in the presence of cinchona alkaloids as chiral catalyst is reported.
ChemInform Abstract: Chiral Squaramide Catalyzed Asymmetric Conjugate Additions of 3‐Substituted Oxindoles to Vinylphosphonates.
Authors: Duan Shu‐Wen , Liu Yi‐Yin , Ding Wei , Li Tian‐Ren , Shi De‐Qing , Chen Jia‐Rong , Xiao Wen‐Jing
Published: October 2013

The optimized conditions render possible the access to a novel type of phosphorus compounds which may be of pharmaceutical interest.
ChemInform Abstract: Efficient Approach for the Design of Effective Chiral Quaternary Phosphonium Salts in Asymmetric Conjugate Additions.
Authors: Shirakawa Seiji , Kasai Atsuyuki , Tokuda Takashi , Maruoka Keiji
Published: October 2013

Various phosphonium bromide catalysts are presented, one of them proves to be an efficient promoter for asymmetric conjugate additions under base‐free phase transfer conditions with low catalyst loading.
ChemInform Abstract: Catalytic Asymmetric [8 + 2] Cycloaddition: Synthesis of Cycloheptatriene‐Fused Pyrrole Derivatives.
Authors: Xie Mingsheng , Liu Xiaohua , Wu Xiaoxia , Cai Yunfei , Lin Lili , Feng Xiaoming
Published: October 2013

A catalytic asymmetric cycloaddition reaction of azaheptafulvenes with alkylidene malonates is developed.
ChemInform Abstract: A Simple Two‐Step Access to Diversely Substituted Imidazo[4,5‐b]pyridines and Benzimidazoles from Readily Available 2‐Imidazolines.
Authors: Mujumdar Prashant , Grkovic Tanja , Krasavin Mikhail
Published: October 2013

Imidazoline substrates, prepared by a previously reported protocol, rearrange under Bechamp reduction to afford the title heterocycles.
ChemInform Abstract: Montmorillonite Clay Cu(II) Catalyzed Domino One‐Pot Multicomponent Synthesis of 3,5‐Disubstituted Isoxazoles.
Authors: Bharate Sandip B. , Padala Anil K. , Dar Bashir A. , Yadav Rammohan R. , Singh Baldev , Vishwakarma Ram A.
Published: October 2013

Nitrile oxides generated in situ from aldehydes/NH2OH undergo 1,3‐dipolar cycloaddition with alkynes to afford the required isoxazoles with high regioselectivity.
ChemInform Abstract: Synthesis of 1H‐1,2,3‐Triazole Linked β‐Lactam—Isatin Bi‐Functional Hybrids and Preliminary Analysis of in vitro Activity Against the Protozoal Parasite Trichomonas vaginalis.
Authors: Raj Raghu , Singh Pardeep , Haberkern Nathan T. , Faucher Ryan M. , Patel Neal , Land Kirkwood M. , Kumar Vipan
Published: October 2013

The compound (I) exhibits in vitro 100% growth inhibition at 100 μM against T.
ChemInform Abstract: Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C‐Glycosides.
Authors: Marcaurelle Lisa A. , et al. et al.
Published: October 2013

Four different fused pyran ring systems can be synthesized starting from common C‐glycosides.
ChemInform Abstract: A Novel Photodimerization of 4‐Aryl‐4H‐pyrans for Cage Compounds.
Authors: Xin Hongxing , Zhu Xiaohe , Yan Hong , Song Xiuqing
Published: October 2013

The [2 + 2] dimerization of pyrans (I) in the presence of benzophenone as triplet sensitizer gives C2‐symmetric 3,9‐dioxatetraasteranes in low yields.
ChemInform Abstract: Highly Enantioselective Michael Addition of α‐Substituted Nitrophosphonates to a Vinyl Sulfone.
Authors: Chen Guo‐Ying , Lu Yixin
Published: October 2013

The simple and efficient method represents a promising approach to an asymmetric synthesis of α‐aminophosphonic acids.
ChemInform Abstract: Enantioselective Fluorination of α‐Chloro‐β‐keto Phosphonates in the Presence of Chiral Palladium Complexes.
Authors: Woo Saet Byeol , Suh Chang Won , Koh Kwang Oh , Kim Dae Young
Published: October 2013

The optimized conditions include an air‐ and moisture‐stable Pd‐complex.
ChemInform Abstract: C→N and N→C Solution Phase Peptide Synthesis Using the N‐Acyl 4‐Nitrobenzenesulfonamide as Protection of the Carboxylic Function.
Authors: De Marco Rosaria , Spinella Mariagiovanna , De Lorenzo Anna , Leggio Antonella , Liguori Angelo
Published: October 2013

The compatibility of this strategy with other steps in peptide synthesis as well as configurational stability of the reactants is demonstrated.
ChemInform Abstract: On the Configuration, Molecular Structure and Vibrational Properties of MoOx Sites on Alumina, Zirconia, Titania and Silica
Authors: Tsilomelekis George , Boghosian Soghomon
Published: October 2013

Review: 88 refs.
ChemInform Abstract: Zinc(II) Complexes Based on ortho‐Phthalic Acid and Ancillary N‐Donor Ligands
Authors: Baca Svetlana G.
Published: October 2013

Review: 151 refs.
ChemInform Abstract: Mitomycinoid Alkaloids: Mechanism of Action, Biosynthesis, Total Syntheses, and Synthetic Approaches
Authors: Bass Phillip D. , Gubler Daniel A. , Judd Ted C. , Williams Robert M.
Published: October 2013

Review: 379 refs.
ChemInform Abstract: Recent Advances in Catalytic Sequential Reactions Involving Hydroelement Addition to Carbon‐Carbon Multiple Bonds
Authors: Zeng Xiaoming
Published: October 2013

Review: 456 refs.
ChemInform Abstract: Chemistry of Bridged Lactams and Related Heterocycles
Authors: Szostak Michal , Aube Jeffrey
Published: October 2013

Review: 470 refs.
ChemInform Abstract: Substituted (E)‐2‐Oxo‐3‐butenoates: Reagents for Every Enantioselectively‐Catalyzed Reaction
Authors: Desimoni Giovanni , Faita Giuseppe , Quadrelli Paolo
Published: October 2013

Review: 123 refs.
ChemInform Abstract: Light‐Induced Transformations of 1,2‐Dihydroquinolines: Opening of the Heterocycle, Radical Formation and Photoinduced Proton Transfer
Authors: Nekipelova T. D. , Kuzmin V. A.
Published: October 2013

Review: 110 refs.
ChemInform Abstract: Metal Nanoparticles at Mesoporous N‐Doped Carbons and Carbon Nitrides: Functional Mott—Schottky Heterojunctios for Catalysis
Authors: Li Xin‐Hao , Antonetti Markus
Published: October 2013

Review: latest developments in the synthesis and applications of mesoporous N‐doped carbon and carbon nitride supported metal nanoparticles; 55 refs.
ChemInform Abstract: Conjugated Polymer Nanoparticles: Preparation, Properties, Functionalization and Biological Application
Authors: Feng Liheng , Zhu Chunlei , Yuan Huanxiang , Liu Libing , Lv Fengting , Wang Shu
Published: October 2013

Review: 50 refs.
ChemInform Abstract: Designer Coordination Polymers: Dimensional Crossover Architectures and Proton Conduction
Authors: Yamada Teppei , Otsubo Kazuya , Makiura Rie , Kitagawa Hiroshi
Published: October 2013

Review: 78 refs.
ChemInform Abstract: Reinventing Amide Bond Formation
Authors: Bode Jeffrey W.
Published: October 2013

Review: 39 refs.
ChemInform Abstract: Molecular Recognition Phenomenon in Aromatic Compounds
Authors: Tewari Ashish Kumar , Srivastava Priyanka , Singh Ved Prakash , Singh Praveen , Khanna Ranjana S.
Published: October 2013

Review: 140 refs.
ChemInform Abstract: Cyclophilin Inhibitors as Antiviral Agents
Authors: Peel Michael , Scribner Andrew
Published: October 2013

Review: 114 refs.
ChemInform Abstract: Recent Developments of 19‐Nor‐1,25‐dihydroxyvitamin D3 Analogues
Authors: Zhang Can‐Fei , Wan Ren‐Zhong , Liu Zhao‐Peng
Published: October 2013

Review: <60 refs.
ChemInform Abstract: Cooperative Formation and Functions of Multimetal Supramolecular Systems
Authors: Nabeshima Tatsuya , Yamamura Masaki
Published: October 2013

Review: 72 refs.
ChemInform Abstract: Camera‐enabled Techniques for Organic Synthesis
Authors: Ley Steven V. , Ingham Richard J. , O'Brien Matthew , Browne Duncan L.
Published: October 2013

Review: 99 refs.
ChemInform Abstract: New {RuNO} Polyoxometalate [PW11O39RuII(NO)]4‐: Synthesis and Reactivity.
Authors: Sokolov Maxim N. , Adonin Sergey A. , Mainichev Dmitry A. , Sinkevich Pavel L. , Vicent C. , Kompankov Nikolay B. , Gushchin Artem L. , Nadolinny V. A. , Fedin Vladimir P.
Published: October 2013

[PW11O39RuII(NO)]4‐ (I) is quantitatively obtained by reacting K2[Ru(NO)Cl5] with H3PW12O40 and Li2CO3 in aqueous solution at pH 4.8 followed by treatment in a Parr digester (150 °C, 15 h) and precipitation as Bu4N+ salt.
ChemInform Abstract: New Ternary Phosphides and Arsenides. Syntheses, Crystal Structures, Physical Properties of Eu2ZnP2, Eu2Zn2P3 and Eu2Cd2As3.
Authors: Wang Jian , Xia Sheng‐Qing , Tao Xu‐Tang , Schaefer Marion C. , Bobev Svilen
Published: October 2013

The new title compounds are prepared from the elements using Pb as a flux (900—960 °C, 10—20 h).
ChemInform Abstract: New Double Molybdate Na9Fe(MoO4)6: Synthesis, Structure, Properties.
Authors: Savina Aleksandra A. , et al. et al.
Published: October 2013

The new title compound is synthesized by solid state reaction from stoichiometric mixtures of Na2MoO4 and Fe2(MoO4)3 (823—853 K, 140 h).
ChemInform Abstract: Photoassisted Synthesis of Manganese Oxide Nanostructures Using Visible Light at Room Temperature.
Authors: Balan Lavinia , Ghimbeu Camelia Matei , Vidal Loic , Vix‐Guterl Cathie
Published: October 2013

By tuning the precipitation conditions, a variety of nanosized morphologies (spherical, nanorods, nanoflowers, nanocubes) of manganese oxides (λ‐MnO2, γ‐Mn3O4 and MnO(OH)) is obtained from aqueous solutions of a Mn(II) salt in presence of MOH (M: Na, K, or Li) under visible light irradiation (445 nm) at room temperature.
ChemInform Abstract: Synthesis of New Chiral Ferrocenyl P,N‐Ligands with a Benzoxazole Ring and Their Application in Ag‐Catalyzed Asymmetric [3 + 2] Cycloaddition.
Authors: Yan Sheng , Zhang Cheng , Wang Ya‐Hui , Cao Zhong , Zheng Zhuo , Hu Xiang‐Ping
Published: October 2013

A novel catalytic system including a chiral ferrocene ligand is applied to the 1,3‐dipolar cycloaddition of azomethine ylides with electron deficient alkenes.
ChemInform Abstract: Nitrile‐Promoted Alkene Epoxidation with Urea—Hydrogen Peroxide (UHP).
Authors: Ji Li , Wang Ya‐Na , Qian Chao , Chen Xin‐Zhi
Published: October 2013

A wide range of alkenes is epoxidized using benzonitrile and the complex urea‐hydrogen peroxide.
ChemInform Abstract: Pd(OAc)2‐Catalyzed Regioselective Aromatic C—H Bond Fluorination.
Authors: Lou Shao‐Jie , Xu Dan‐Qian , Xia Ai‐Bao , Wang Yi‐Feng , Liu Yun‐Kui , Du Xiao‐Hua , Xu Zhen‐Yuan
Published: October 2013

A novel Pd(II)/N‐fluorobenzenesulfonimide/TFA system is developed for the ortho‐monofluorination directed by diverse aryl‐N‐heterocyclic directing groups such as quinoxaline, pyrazole, and benzo[d]oxazole.
ChemInform Abstract: Highly Enantioselective Conjugate Addition of Nitroalkanes to Enones Catalyzed by Cinchona Alkaloid Derived Primary Amine.
Authors: Liu Wenjing , Mei Desheng , Wang Wei , Duan Wenhu
Published: October 2013

Asymmetric Michael addition reaction of both acyclic and cyclic enones with nitroalkanes are catalyzed by a cinchona alkaloid derivative to form adducts with up to 99% e.e.
ChemInform Abstract: Palladium‐Catalyzed Decarboxylative Coupling of α‐Oxocarboxylic Acids with C(sp2)—H of 2‐Aryloxypyridines.
Authors: Yao Jinzhong , Feng Ruokun , Wu Zaihong , Liu Zhanxiang , Zhang Yuhong
Published: October 2013

The acylation of 2‐phenoxypyridines with arylglyoxylic acids (II) gives rise to 2‐pyridyloxybenzophenones as sole products.
ChemInform Abstract: The Synthesis of Chiral Fluorinated 4‐Alkyl‐4′‐[(4‐alkylphenyl)ethynyl]biphenyls.
Authors: Herman Jakub , Kula Przemyslaw
Published: October 2013

The copper‐catalyzed coupling between aryl Grignard reagents and alkyl bromides is optimized to provide intermediates for use in the synthesis of novel cholesteric liquid crystals.
ChemInform Abstract: Synthesis of 7‐Oxabicyclo[2.2.1]hept‐5‐en‐2‐yl Derivatives and Their Screening for Antimicrobial and Antioxidant Properties.
Authors: Dhanapal Ramu , Perumal Paramasivan T. , Ramprasath Chandrasekaran , Mathivanan Narayanasamy
Published: October 2013

The title compounds (III) are obtained by a Diels—Alder reaction using boron trifluoride diethyl etherate as catalyst.
ChemInform Abstract: Highly Diastereoselective and Enantioselective Direct Michael Addition of Phthalide Derivatives to Nitroolefins.
Authors: Luo Jie , Wang Haifei , Zhong Fangrui , Kwiatkowski Jacek , Xu Li‐Wen , Lu Yixin
Published: October 2013

An amino acid‐incorporating multifunctional catalyst promotes the stereoselective synthesis of 3,3‐disubstituted phthalide derivatives.
ChemInform Abstract: Ruthenium‐Catalyzed Intramolecular Hydrocarbamoylation of Allylic Formamides: Convenient Access to Chiral Pyrrolidones.
Authors: Armanino Nicolas , Carreira Erick M.
Published: October 2013

A new intramolecular cyclization of allylic formamides proceeds with complete atom‐economy.
ChemInform Abstract: Synthesis, Local Anaesthetic and Antiarrhythmic Activities of N‐Alkyl Derivatives of Proline Anilides.
Authors: Kalinin Dmitrii V. , Pantsurkin Vladimir I. , Syropyatov Boris Ya. , Kalinina Svetlana A. , Rudakova Irina P. , Vakhrin Mikhail I. , Dolzhenko Anton V.
Published: October 2013

The synthesized compounds are evaluated for their surface anaesthetic and antiarrhythmic activities.
ChemInform Abstract: ANRORC Rearrangement in Tetrahydro‐2H‐chromenones. Synthesis and Structural Assignment by NMR, MS, X‐Ray and DFT Calculations of 2‐[(3(5)‐Trifluoromethyl‐1H‐pyrazol‐4‐yl)arylmethyl]cyclohexenones and Derivatives.
Authors: Bonacorso Helio G. , Navarini Jussara , Porte Liliane M. F. , Pittaluga Everton P. , Junges Andrizia F. , Meyer Alexandre R. , Martins Marcos A. P. , Zanatta Nilo
Published: October 2013

The pyrazole moiety of the products is in equilibrium with its tautomeric form.
ChemInform Abstract: Synthesis, Evaluation of Insecticidal Activity, and Crystal Analysis of cis‐Nitenpyram Analogues Bearing 1,4‐Dihydropyridine.
Authors: Sun Chuanwen , Liu Tianyan , Ding Li , Chen Yanxia , Zhang Wanggeng
Published: October 2013

Title compounds (IV) are synthesized by multicomponent reactions and evaluated for their insecticidal activity against Aphis medicagini.
ChemInform Abstract: [3,3]Paracyclophanes as Planar Chiral Scaffolds for the Synthesis of New Phosphoric Acids.
Authors: Stemper Jeremy , Isaac Kevin , Duret Veronique , Retailleau Pascal , Voituriez Arnaud , Betzer Jean‐Francois , Marinetti Angela
Published: October 2013

As a test for the newly presented phosphoric acids their application in an asymmetric transfer hydrogenation of 2‐phenylquinoline with Hantzsch‐type esters is reported.
ChemInform Abstract: Rhodium‐Catalyzed Nucleophilic Ring Opening Reaction of 1‐ and 3‐Ethoxy‐5,8‐epoxy‐5,8‐dihydroisoquinolines.
Authors: Kelebekli Latif
Published: October 2013

Ring opening reactions of azaoxabicyclic compounds (III) are realized using [Rh(cod)Cl]2 as catalyst.
ChemInform Abstract: Simple Route to Indeno[1,2‐b]quinoline Derivatives via a Coupling Reaction Catalyzed by TiO2 Nanoparticles.
Authors: Abdolmohammadi Shahrzad
Published: October 2013

A simple one‐pot four‐component coupling reaction using TiO2 nanoparticles as the catalyst in aqueous media is developed to give indenoquinoline derivatives in good yields.
ChemInform Abstract: Highly Efficient Solvent‐Free Synthesis of Novel Pyranyl Pyridine Derivatives via β‐Enaminones Using ZnO Nanoparticles.
Authors: Siddiqui Zeba N. , Ahmed Nayeem , Farooq Farheen , Khan Kulsum
Published: October 2013

A convenient one‐pot procedure using ZnO‐nanoparticles as the catalyst allows the synthesis of pyranyl pyridine derivatives via a Michael addition, cyclodehydration, and elimination sequence in short reaction times.
ChemInform Abstract: An Efficient One‐Pot, Regio‐ and Stereoselective Synthesis of Novel Pentacyclic‐Fused Pyrano[3,2‐c]chromenone or Quinolinone Benzosultone Derivatives in Water.
Authors: Ghandi Mehdi , Nazeri Mohammad Taghi , Kubicki Maciej
Published: October 2013

Hydroxybenzaldehydes react with phenylethenesulfonyl chloride and hydroxyquinolines or hydroxycoumarins via an O‐sulfonylation/Knoevenagel condensation/hetero‐Diels‐Alder reaction cascade.
ChemInform Abstract: Synthesis, Antimicrobial, Antiquorum‐Sensing, Antitumor and Cytotoxic Activities of New Series of Fused [1,3,4]Thiadiazoles.
Authors: El‐Gohary Nadia S. , Shaaban Mona I.
Published: October 2013

Some of the synthesized compounds are tested for their antitumor, antimicrobial and cytotoxic activity.
ChemInform Abstract: Mild Rhodium(III)‐Catalyzed Cyclization of Amides with α,β‐Unsaturated Aldehydes and Ketones to Azepinones: Application to the Synthesis of the Homoprotoberberine Framework.
Authors: Shi Zhuangzhi , Grohmann Christoph , Glorius Frank
Published: October 2013

A novel synthesis of azepinone derivatives by using a Rh‐catalyzed intramolecular annulation reaction of N‐substituted benzamides and α,β‐unsaturated aldehydes and ketones is developed.
ChemInform Abstract: Synthesis and Template Studies of New Aza Macrocycles and One Cryptand Based on 2,6‐Diaminopyridine and Its Computational NMR Studies Using Density Functional Theory.
Authors: Shockravi Abbas , Kamali Mahmood , Behzadi Hadi , Moghanlo Somayeh Pahlavan , Nategholeslam Mahdieh
Published: October 2013

The reaction of (III) with various diamino compounds of type (IV) or (VI) affords macrocycles of type (V) or (VII).
ChemInform Abstract: 1,3‐Dipolar Cycloaddition of 4‐Platinumisochromenyliums with an Olefin and Tandem Insertion into Benzylic C—H Bonds.
Authors: Kim Ji Hee , Ray Devalina , Hong Chang Seop , Han Jin Wook , Oh Chang Ho
Published: October 2013

The intramolecular reactions yield the α‐ and β‐isomers (II and III) in a ratio of 1:3.
ChemInform Abstract: Iron‐Doped Single Walled Carbon Nanotubes as an Efficient and Reusable Heterogeneous Catalyst for the Synthesis of Organophosphorus Compounds under Solvent‐Free Conditions.
Authors: Sharghi Hashem , Ebrahimpourmoghaddam Sakineh , Doroodmand Mohammad Mahdi
Published: October 2013

The title catalyst is successfully employed for the three component reaction of carbonyl compounds, diethyl phosphite, and amines to give α‐aminophosphonates.
ChemInform Abstract: Four New Indole Alkaloids from Neolamarckia cadamba.
Authors: Liu Lingli , Li Shifei , Zhang Qiang , Zhu Feng , Yang Wei , He Hongping , Hao Xiaojiang
Published: October 2013

isolation and structure elucidation of spirocadambine (I), dehydraisodihydrocadambine (II), and nitrocadambines A and B (III and IV)
ChemInform Abstract: A Concise Total Synthesis of Amphidinin B.
Authors: Wu Dongdong , Wu Jinlong , Dai Wei‐min
Published: October 2013

First time, marine polyketide metabolide amphidinin B (III) is synthesized from the (Z)‐configurated macrocyclic diol (I) in two steps.
ChemInform Abstract: Morpholines. Synthesis and Biological Activity
Authors: Pal'chikov V. A.
Published: October 2013

Review: more than 160 refs.
ChemInform Abstract: Synthesis of Benzofused Six‐Membered Heterocycles: Rinsing the Methods in the River of Sustainability
Authors: Menichetti Stefano
Published: October 2013

Review: 81 refs.
ChemInform Abstract: Relevance of Sonochemistry or Ultrasound (US) as a Proficient Means for the Synthesis of Fused Heterocycles
Authors: Patil Rajashree , Bhoir Priyanka , Deshpande Padmini , Wattamwar Tejas , Shirude Mahesh , Chaskar Pratip
Published: October 2013

Review: 52 refs.
ChemInform Abstract: Isatin, a Versatile Molecule. Studies in Brazil
Authors: Silva Barbara V.
Published: October 2013

Review: 77 refs.
ChemInform Abstract: Critical Surveys Covering the Year 2010: Introduction and Transformation of Functional Groups
Authors: Barattucci Anna
Published: October 2013

Review: such as sulfoxides, sulfones, sulfinyl imines, and derivatives thereof; 146 res.
ChemInform Abstract: Trichloroacetimidates: The Great Gift of Carbohydrate Chemistry to Organic Synthesis
Authors: Attolino Emanuele
Published: October 2013

Review: 97 refs.
Experimental Study of Molecular and Effective Diffusion Coefficients by Means of Gas‐Assisted Pressing of Edible Oils
Authors: Müller Marcus , Eggers Rudolf
Published: October 2013

Die lösungsmittelfreie Gewinnung von Speiseöl gewinnt stetig an Bedeutung. Ein innovatives Verfahren ist die CO2‐unterstützte Pressung, zu deren Optimierung die Einlösekinetik des CO2 im Rapsöl bekannt sein muss. In der vorliegenden Arbeit werden experimentell bestimmte molekulare Diffusionskoeffizienten vorgestellt, die durch die Einlösung von CO2 in Rapsöl ermittelt wurden. Zusätzlich werden effektive Diffusionskoeffizienten von CO2 in Rapsöl‐haltigem Rapspresskuchen präsentiert. Auf der Grundlage von Korrelationen aus der Literatur werden darüber hinaus Berechnungsgleichungen angegeben. Durch den Vergleich der molekularen und effektiven Diffusionskoeffizienten konnte ein Diffusionswiderstandsfaktor des ölumgebenden Feststoffs von 2,1 ermittelt werden.
Die Chemie des Reifens
Authors: Wortmann Christopher , Dettmer Fabian , Steiner Frank
Published: October 2013

Die Entwicklung von Fahrzeugreifen ist dadurch geprägt, die Zielkonflikte zwischen den vielen verschiedenen Reifeneigenschaften immer weiter zu optimieren. So hat der Reifen sich zu einem sehr komplexen High‐Tech‐Produkt entwickelt. Diese Komplexität beginnt mit der Auswahl der Rohstoffe und der Herstellung der vielen verschiedenen Mischungen, setzt sich in der Herstellung der einzelnen Bauteile fort und mündet im Zusammenbau des Rohlings und der Vulkanisation. Ein besonderer und unverzichtbarer Rohstoff ist der Naturkautschuk, denn als Naturprodukt bringt er strukturelle und physikalische Besonderheiten mit sich. Deshalb fordert seine Verarbeitung besondere Aufmerksamkeit.
Landwirtschaft für die Hungerbekämpfung
Authors: Qaim Matin , Klümper Wilhelm
Published: October 2013

Hunger ist nach wie vor ein weit verbreitetes Problem. Aufgrund von Bevölkerungs‐ und Einkommenswachstum und der steigenden Nutzung von Bioenergie könnte sich die Nachfrage nach Agrarprodukten bis 2050 verdoppeln. Die landwirtschaftliche Produktion in gleicher Weise zu steigern, ohne dabei die Umwelt überzustrapazieren, stellt eine große Herausforderung dar und verlangt die konsequente Ausnutzung der Wissenschaft in all ihren Facetten, inklusive neuer Technologien. Eine ausreichende Produktion allein reicht aber nicht aus. Ernährungssicherheit erfordert auch einen besseren ökonomischen Zugang zu Nahrung für alle. Dies setzt Armutsbekämpfung in den Entwicklungsländern voraus. Ein Großteil der heute hungernden Menschen ist vom Kleinbauernsektor abhängig, so dass dieser Sektor besonders gefördert werden muss.
Cantharidin
Authors: Rudo Anna , Siehl Hans‐Ullrich , Zeller Klaus‐Peter , Berger Stefan , Sicker Dieter
Published: October 2013

Cantharidin wurde aus getrockneten und pulverisierten Canthariden extrahiert und durch Sublimation gereinigt. Alle analytischen Spektren sind vollständig entweder im Hauptteil oder in der supporting information wiedergegeben. Die NMR‐ sowie die Massenspektren werden eingehend interpretiert und mit theoretischen Berechnungen der 13C chemischen Verschiebungen verglichen. Das Projekt stellt eine Fortsetzung des Buches “Classics in Spectroscopy” von S. Berger und D. Sicker (Wiley‐VCH 2009) dar.
Oktoberfest‐Umlagerung 2.0
Authors: Roth Klaus
Published: October 2013

Was macht ein Bier zu einem Hochgenuss? Es ist der edle, leicht bittere Geschmack, der uns angenehm ist und hervorragend den Durst löscht. Woher aber kommt der herbe Geschmack, denn weder Gerstenmalz noch Wasser, Hefe oder Hopfendolden schmecken bitter? Tatsächlich verleiht erst ein chemischer Prozess dem Bier die charakteristische Note und das im Einklang mit dem Deutschen Reinheitsgebot von 1516! Der Ort dieses chemischen Wunders ist die Sudpfanne, in der die zuckerhaltige Maische mit Hopfendolden versetzt und das Ganze aufgekocht wird. Erst beim Kochen bilden sich aus den in den Hopfendolden enthaltenen Humulonen die Bitterstoffe.
Die Suche nach dem Alzheimer‐Marker
Authors: Harrer Roswitha
Published: October 2013

Die Alzheimer‐Erkrankung sicher zu erkennen, ist schwierig. Ein einfacher Bluttest auf bestimmte Markersubstanzen wäre wünschenswert. Saarbrücker Forscher identifizierten Mikro‐RNA‐Moleküle als mögliche Kandidaten für ein Blutscreening.
“Die ich rief, die Käfer...
Authors: Fischer Andrea
Published: October 2013

“Die ich rief, die Käfer werd' ich nun nicht los.”

Greift der Mensch in Abläufe der Natur ein, ist häufig der Zauberlehrling‐Effekt zu beobachten: die Dinge entwickeln ein Eigenleben und entziehen sich weiterer Vorhersage und Kontrolle. Auch beim asiatischen Marienkäfer Harmonia axyridis ist dies der Fall.
Drogengesetze schaden Neurowissenschaften
Authors: Groß Michael
Published: October 2013

Die weltweite Prohibition von bewusstseinsverändernden Substanzen hat, ebenso wie die Alkoholprohibition in den USA der 1920er Jahre, die Nachfrage kaum reduziert und das Angebot in den kriminellen Untergrund abgedrängt. Die gesellschaftlichen Folgeschäden des Drogenkriegs sind weithin bekannt, doch jetzt argumentieren Neurowissenschaftler, dass ihre Disziplin auch zu den Opfern zählt.
Molecular Similarity: Methods and Performance
Authors: Cai Chaoqian , Gong Jiayu , Liu Xiaofeng , Gao Daqi , Li Honglin
Published: October 2013

Molecular similarity has long been a hot topic, which has been evaluated and compared by various approaches and plays a significant role in protein‐ligand and protein‐protein interactions recognition. There are currently many types of molecular similarity evaluation methods with their own advantages and disadvantages. Molecular fingerprints are the most common methods for molecular similarity evaluation which only concern about rapid 2D common substructure retrieval but lack the ability to encode the information about 3D conformers. 3D molecular descriptor based methods bear the advantages of representing the structure information of a conformer, but the descriptors are not guaranteed to describe the molecules precisely. Molecular alignment based methods try to superimpose two molecules and evaluate the similarity using the optimal poses which are generally more precise than the molecular descriptor but require a time‐consuming optimization process. Pharmacophore based methods only focus on the chemical features about a molecule and are not capable of dealing with the molecular shape similarity. In order to evaluate the performance of molecular similarity based screening, many kinds of metrics are available, e.g., visual representation, quantitative measurements and scaffold hopping ability measurements. Further applications of molecular similarity include construction of molecule interaction network or generation of diverse compounds library.
Impact of Water Molecules on the Isomerization of CH3S(OH)CH2 to CH3S(O)CH3: A Computational Investigation
Authors: Jia Cao , Wang Wenliang , Zhang Tianlei , Gao Loujun , Fu Feng , Wang Danjun
Published: October 2013

The isomerization of CH3S(OH)CH2 to CH3S(O)CH3 in the absence and presence of water has been investigated at the G3XMP2//B3LYP/6‐311+G(2df,p) level. The naked isomerization, the reaction without water, gives the high barrier height (21.56 kcal·mol−1). Three models are constructed to describe the water influence on the isomerization, that is, water molecules are the catalyst and the microsolvation, and water molecules act as the catalyst and microsolvation simultaneously. Our results show that the isomerization barrier heights of CH3S(OH)CH2 to CH3S(O)CH3 are reduced by 12.32, 11.04, and 7.80 kcal·mol−1, respectively, when one, two, and three water molecules are performed as catalyst, in contrast to the naked isomerization. Moreover, the rate constants of the isomerization are calculated using the transition state theory with the Wigner tunneling correction over the temperature range of 240–425 K. We find that the rate constant of a single water molecule as the catalyst is 1.58 times larger than the naked isomerization at 325 K, whereas it is slower by 6 orders of magnitude when water molecule serves as the microsolvation at 325 K, compared to naked reaction. So the water‐catalyzed isomerization of CH3S(OH)CH2 to CH3S(O)CH3 is predicted to be the key role in lowering the activation energy. The isomerization involving water molecules acting as microsolvation is unfavorable under atmospheric conditions.