bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reversible Hydrogenation of Graphene on Ni(111)—Synthesis of “Graphone”
Authors: Zhao Wei , Gebhardt Julian , Späth Florian , Gotterbarm Karin , Gleichweit Christoph , Steinrück Hans‐Peter , Görling Andreas , Papp Christian 
Published: January 2015

AbstractUnderstanding the adsorption and reaction between hydrogen and graphene is of fundamental importance for developing graphene‐based concepts for hydrogen storage and for the chemical functionalization of graphene by hydrogenation. Recently, theoretical studies of single‐sided hydrogenated graphene, so called graphone, predicted it to be a promising semiconductor for applications in graphene‐based electronics. Here, we report on the synthesis of graphone bound to a Ni(111) surface. We investigate the formation process by X‐ray photoelectron spectroscopy (XPS), temperature‐programmed desorption (TPD), and density‐functional theory calculations, showing that the hydrogenation of graphene with atomic hydrogen indeed leads to graphone, that is, a hydrogen coverage of 1 ML (4.2 wt %). The dehydrogenation of graphone reveals complex desorption processes that are attributed to coverage‐dependent changes in the activation energies for the associative desorption of hydrogen as molecular H2.
Branched Polyethylenimine Improves Hydrogen Photoproduction from a CdSe Quantum Dot/[FeFe]‐Hydrogenase Mimic System in Neutral Aqueous Solutions
Authors: Liang Wen‐Jing , Wang Feng , Wen Min , Jian Jing‐Xin , Wang Xu‐Zhe , Chen Bin , Tung Chen‐Ho , Wu Li‐Zhu 
Published: January 2015

AbstractNature uses hydrogenase enzyme to catalyze proton reduction at pH 7 with overpotentials and catalytic efficiencies that rival platinum electrodes. Over the past several years, [FeFe]‐hydrogenase ([FeFe]‐H2ase) mimics have been demonstrated to be effective catalysts for light‐driven H2 evolution. However, it remains a significant challenge to realize H2 production by such an artificial photosynthetic system in neutral aqueous solution. Herein, we report a new system for photocatalytic H2 evolution working in a broad pH range, especially under neutral conditions. This unique system is consisted of branched polyethylenimine (PEI)‐grafted [FeFe]‐H2ase mimic (PEI‐g‐Fe2S2), MPA‐CdSe quantum dots (MPA=mercaptopropionic acid), and ascorbic acid (H2A) in water. Due to the secondary coordination sphere of PEI, which has high buffering capacity and stabilizing ability, the system is able to produce H2 under visible‐light irradiation with turnover number of 10 600 based on the Fe2S2 active site in PEI‐g‐Fe2S2. The stability and activity are much better than that of the same system under acidic or basic conditions and they are, to the best of our knowledge, the highest known to date for photocatalytic H2 evolution from a [FeFe]‐H2ase mimic in neutral aqueous solution.
ChemInform Abstract: First‐Principles Prediction of New Complex Transition Metal Hydrides for High Temperature Applications.
Authors: Nicholson Kelly M. , Sholl David S. 
Published: January 2015

AbstractHigh‐throughput screening by DFT and grand canonical linear programming (GCLP) methods are used to compute thermodynamic properties and phase diagrams of complex transition metal hydrides (CTMH) with a library of 149 proposed materials based on known prototype structures and charge balancing rules.
ChemInform Abstract: Perovskite to Postperovskite Transition in NaFeF3.
Authors: Bernal Fabian L. , Yusenko Kirill V. , Sottmann Jonas , Drathen Christina , Guignard Jeremy , Loevvik Ole Martin , Crichton Wilson A. , Margadonna Serena 
Published: January 2015

AbstractPolycrystalline samples of perovskite‐type NaFeF3 are prepared by solid state reaction of a 3:2:1 mixture of NaF, Fe, and FeF3 (Fe tube, 750 °C, 8 d).
ChemInform Abstract: A Novel Efficient Mn4+ Activated Ca14Al10Zn6O35 Phosphor: Application in Red‐Emitting and White LEDs.
Authors: Lue Wei , Lv Wenzhen , Zhao Qi , Jiao Mengmeng , Shao Baiqi , You Hongpeng 
Published: January 2015

AbstractThe highly efficient deep red‐emitting phosphor Ca14Al10Zn6O35:Mn4+ is obtained by calcination of the metal carbonates and Al2O3 in air (1220 °C, 4 h).
ChemInform Abstract: Preparation and Characterization of SrTiO3—ZnTe Nanocomposites for the Visible‐Light Photoconversion of Carbon Dioxide to Methane.
Authors: Ehsan Muhammad Fahad , Ashiq Muhammad Naeem , Bi Feng , Bi Yiqing , Palanisamy Sivakumar , He Tao 
Published: January 2015

AbstractThe title nanocomposites containing 25, 50, or 75% ZnTe are hydrothermally synthesized from appropriate mixtures of SrTiO3 and ZnTe in H2O (autoclave, 100 °C, 10 h).
ChemInform Abstract: Zirconium Trisulfide Ultrathin Nanosheets as Efficient Catalysts for Water Oxidation in Both Alkaline and Neutral Solutions.
Authors: Xie Junfeng , Wang Ruoxing , Bao Jian , Zhang Xiaodong , Zhang Hao , Li Shuang , Xie Yi 
Published: January 2015

AbstractZrS3 ultrathin nanosheets are prepared by liquid exfoliation of bulk ZrS3 with n‐propylamine (autoclave, 120 °C, 3 d) followed by ultrasound treatment (12 h) of a mixture of the solvothermally obtained product, EtOH, and 1‐cyclohexyl‐2‐pyrrolidinone.
ChemInform Abstract: Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo‐Centered Units.
Authors: Lue Minfeng , Colmont Marie , Huve Marielle , De Waele Isabelle , Terryn Christine , Aliev Almaz , Mentre Olivier 
Published: January 2015

AbstractSingle crystals of [Bi12O15] Li2(SO4)4 (I) and [Bi7K2O8]K(SO4)4 (II) are grown by slow cooling of a mixture of Bi2O3, CuSO4, and M2CO3 (M: Li, K) in the molar ratio of 2:2:1 for (I) and 2:1:1 for (II) (Au tube in evacuated quartz ampoule, 1.
ChemInform Abstract: NaCu6Se4: A Layered Compound with Mixed Valency and Metallic Properties.
Authors: Sturza Mihai , Malliakas Christos D. , Bugaris Daniel E. , Han Fei , Chung Duck Young , Kanatzidis Mercouri G. 
Published: January 2015

AbstractPhase‐pure NaCu6Se4 is prepared by two methods, 1.
ChemInform Abstract: A Molecular Iron Catalyst for the Acceptorless Dehydrogenation and Hydrogenation of N‐Heterocycles.
Authors: Chakraborty Sumit , Brennessel William W. , Jones William D. 
Published: January 2015

AbstractBoth the dehydrogenation and the hydrogenation reactions are shown to be catalyzed by the same, isolable molecular iron species, generated in situ from both IOC and IHC.
ChemInform Abstract: Design of C2‐Symmetric Salen Ligands and Their Co(II)‐ or Yb(III)‐Complexes, and Their Role in the Reversal of Enantioselectivity in the Asymmetric Henry Reaction.
Authors: Wu Shengying , Tang Jun , Han Jianwei , Mao Dan , Liu Xin , Gao Xing , Yu Jianjun , Wang Limin 
Published: January 2015

AbstractNovel chiral C2‐symmetric salen ligands bearing morpholine moieties are designed and synthesized.
ChemInform Abstract: Asymmetric Conjugate Addition of Malonate to α,β‐Unsaturated Ketones in Water Using a Perfluoroalkanesulfonamide Organocatalyst.
Authors: Kamito Yuji , Masuda Akira , Yuasa Hiroki , Tada Norihiro , Itoh Akichika , Nakashima Kosuke , Hirashima Shin‐ichi , Koseki Yuji , Miura Tsuyoshi 
Published: January 2015

AbstractThe corresponding Michael‐adducts are formed with high yields and enantioselectivities (up to 99% e.e.).The excellent performance of the catalyst is probably due to the ability of the perfluoroalkyl group to function as a preferable hydrophobic reaction field in water and its strong electron‐withdrawing nature.
ChemInform Abstract: Selective N‐Alkylation of Indoles with α,β‐Unsaturated Compounds Catalyzed by a Monomeric Phosphate.
Authors: Sunaba Hanako , Kamata Keigo , Mizuno Noritaka 
Published: January 2015

AbstractThe use of an organic‐solvent‐soluble phosphate as the catalyst allows the challenging N‐alkylation of indoles with α,β‐unsaturated esters, amides, and nitriles.
ChemInform Abstract: A One‐Pot Oxidation/Enantioselective Oxa‐Michael Cascade.
Authors: Willemsen Jorgen S. , Megens Rik P. , Roelfes Gerard , van Hest Jan C. M. , Rutjes Floris P. J. T. 
Published: January 2015

AbstractA laccase/TEMPO‐mediated oxidation is combined with an aqueous, enantioselective copper‐catalyzed Michael addition reaction.
ChemInform Abstract: Fully Diastereoselective Synthesis of Polysubstituted, Functionalized Piperidines and Decahydroquinolines Based on Multicomponent Reactions Catalyzed by Cerium(IV) Ammonium Nitrate.
Authors: Suryavanshi Padmakar A. , Sridharan Vellaisamy , Maiti Swarupananda , Menendez J. Carlos 
Published: January 2015

AbstractThe CAN‐catalyzed three‐component reaction between acrolein derivatives, β‐dicarbonyl compounds and primary amines offers a general access to 1,4‐dihydropyridines which can be diastereoselectively hydrogenated to provide piperidines with hitherto inaccessible stereochemical arrangement.
ChemInform Abstract: A Mild and Efficient Synthesis of New Pentafluorosulfanyl‐Substituted Electron‐Deficient Alkenes and Allylsilanes.
Authors: Falkowska Ewelina , Suzenet Franck , Jubault Philippe , Bouillon Jean‐Philippe , Pannecoucke Xavier 
Published: January 2015

AbstractOxidation of pentafluorosulfanyl‐substituted alcohols (I) and (V) followed by coupling with alcohols or amines provides the corresponding acrylic esters and amides.
ChemInform Abstract: Direct Oxidative Nitration of Aromatic Sulfonamides under Mild Conditions.
Authors: Li Ying‐Xiu , Li Lian‐Hua , Yang Yan‐Fang , Hua Hui‐Liang , Yan Xiao‐Biao , Zhao Lian‐Biao , Zhang Jin‐Bang , Ji Fa‐Jin , Liang Yong‐Min 
Published: January 2015

AbstractThis efficient, convenient, and direct nitration protocol tolerates a wide range of functional groups and shows typically mono‐substitution selectivity.
ChemInform Abstract: Bimetallic Co—Pd Alloy Nanoparticles as Magnetically Recoverable Catalysts for the Aerobic Oxidation of Alcohols in Water.
Authors: Ito Yoshikazu , Ohta Hidetoshi , Yamada Yoichi M. A. , Enoki Toshiaki , Uozumi Yasuhiro 
Published: January 2015

AbstractThe catalyst is magnetically recovered and reused showing decreasing yields beginning with the third catalytic cycle.
ChemInform Abstract: Regioselective 1,4‐Conjugate Hydrocyanation of Dienones Using Potassium Hexacyanoferrate(II) as an Eco‐Friendly Cyanide Source.
Authors: Li Zheng , Yin Junjun , Li Tianpeng , Wen Gong , Shen Xiaoli , Yang Jingya 
Published: January 2015

AbstractA novel method for the regioselective hydrocyanation of dienes (I) is developed using non‐toxic K4[Fe(CN)6] as the cyanide source.
ChemInform Abstract: N‐Bromosuccinimide‐Mediated Reaction of Cyclic Styrenes with Chloramine‐T.
Authors: Chang Meng‐Yang , Chen Yi‐Chia , Chan Chieh‐Kai 
Published: January 2015

AbstractA facile synthetic route for the preparation of substituted cyclic and open chain allylic sulfonamides is developed using the reaction of 1‐aryl substituted cycloalkenes as well as 2‐arylpropene with chloramine‐T and analogs.
ChemInform Abstract: Cu‐Catalyzed Cascades to Carbocycles: Union of Diaryliodonium Salts with Alkenes or Alkynes Exploiting Remote Carbocations.
Authors: Zhang Fengzhi , Das Shoubhik , Walkinshaw Andrew J. , Casitas Alicia , Taylor Michael , Suero Marcos G. , Gaunt Matthew J. 
Published: January 2015

AbstractThe reaction of alkyl instead of aryl substituted alkynes with (II) under the investigated conditions does not give the corresponding alkyl substituted cyclopentenes.
ChemInform Abstract: Rhodium(II) Catalyzed Highly Diastereoselective Synthesis of Conformationally Restricted Dispiro[1,3‐dioxolane]bisoxindoles.
Authors: Muthusamy Sengodagounder , Ramkumar Rajagopal 
Published: January 2015

AbstractRh‐catalyzed decomposition of isatine derived diazoketones (I) in the presence of keto components such as (II) and aromatic aldehydes results in a three‐component coupling reaction to yield conformationally restricted dispiro compounds (IV).
ChemInform Abstract: Indium‐Mediated Allenylation of Arylacyl Bromides in a Route for the Synthesis of Substituted Furans.
Authors: Lin Mei‐Huey , Kuo Chung‐Kai , Huang Yen‐Chih , Tsai Yu‐Ting , Tsai Chang‐Hsien , Liang Kung‐Yu , Li Yi‐Syuan , Chuang Tsung‐Hsun 
Published: January 2015

AbstractThe new route for the synthesis of furane derivatives is based on indium promoted reaction of arylacyl bromides with propargyl bromides as the key step.
ChemInform Abstract: Metal‐Free Cross‐Dehydrogenative Coupling of Benzimidazoles with Aldehydes to N‐Acylbenzimidazoles.
Authors: Yu Lin , Wang Min , Wang Lei 
Published: January 2015

AbstractA direct dehydrogenative cross‐coupling of benzimidazoles with aromatic and aliphatic aldehydes is achieved using di‐tert‐butylperoxide as the oxidant.
ChemInform Abstract: A One‐Pot Tandem Synthesis of Various 1,2‐Disubstituted Benzimidazoles.
Authors: Yeong Keng Yoon , Ali Mohamed Ashraf , Wei Ang Chee , Choon Tan Soo , Osman Hasnah 
Published: January 2015

AbstractA facile one‐pot four‐step synthesis of benzimidazole derivatives starting from 4‐fluoro‐3‐nitrobenzoic acid is presented.
ChemInform Abstract: Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.
Authors: Castillo‐Contreras Emmanuel B. , Stahl Alexander M. , Dake Gregory R. 
Published: January 2015

AbstractIsoxazole heterocycles (VI) appended onto an oxabicyclo[4.4.0]decane ring are synthesized through a sequence involving substitution of 6‐bromo‐1‐cyclohexen‐1‐ol with aromatic aldehydes, conversion to oximoyl chloride intermediates, intramolecular [3 + 2] cycloaddition, and final elimination of HBr.
ChemInform Abstract: Cyclization of 4‐Phenylthiosemicarbazide with Phenacylbromide Revisited. Formation of 1,3,4‐Thiadiazines and of Isomeric 1,3‐Thiazoles.
Authors: Pfeiffer Wolf‐Diethard , Junghans Dieter , Saghyan Ashot S. , Langer Peter 
Published: January 2015

AbstractPreviously reported condensation of phenacyl bromide (I) with phenylthiosemicarbazide (II) gave mainly the corresponding 1,3,4‐thiadiazine (III) while formation of 2‐phenylimino‐4‐phenyl‐2,3‐dihydro‐1,3‐thiazol‐3‐amine (IV) needs harsher conditions, e.
ChemInform Abstract: Mannich‐Type Addition Reactions Between Lithium Derivatives of Benzo[d]thiazoles and N‐tert‐Butylsulfinyl‐3,3,3‐trifluoroacetaldimine: Convenient Generalized Synthesis of Bis(benzothiazole)s.
Authors: Mei Haibo , Dai Yanling , Wu Lingmin , Soloshonok Vadim A. , Han Jianlin , Pan Yi 
Published: January 2015

AbstractThe main feature of the synthesis of unexpected bis(benzothiazolyl)ethanes is the unusual role of CF3‐imine, which serves as a precursor to the bridging ethylene moiety.
ChemInform Abstract: Synthesis, Characterization, and Antimicrobial Screening of Ethylene‐Spaced Bis‐Heterocycles.
Authors: Reddy A. Babul , Hymavathi R. V. , Swamy G. Narayana 
Published: January 2015

AbstractTarget compounds (IV) and (VI) are prepared in a one‐pot, three‐component reaction and their antibacterial and antifungal activities are evaluated.
ChemInform Abstract: Uncapped SnO2 Quantum Dot Catalyzed Cascade Assembling of Four Components: A Rapid and Green Approach to the Pyrano[2,3‐c]pyrazole and Spiro‐2‐oxindole Derivatives.
Authors: Paul Sanjay , Pradhan Koyel , Ghosh Sirshendu , De S. K. , Das Asish R. 
Published: January 2015

AbstractNumerous combinations of ethyl acetoacetate (I), diethyl acetylenedicarboxylate (IX) or the methyl carboxylate derivative of (IX) with hydrazine or aryl hydrazines (V), malononitrile (III) or methyl cyanoacetate (VII) and aldehydes (II) or analogues thereof are applied to the reaction.
ChemInform Abstract: Dinuclear Zinc Catalyzed Asymmetric Tandem Michael Addition/Acetalization Reactions of Cyclic Diketones and β,γ‐Unsaturated α‐Ketoesters.
Authors: Song Xixi , Liu Jing , Liu Meng‐Meng , Wang Xi , Zhang Zhao‐Fei , Wang Min‐Can , Chang Junbiao 
Published: January 2015

AbstractThe chiral complex generated in situ from diethylzinc and a bispyrrolidine ligand efficiently catalyzes the reaction of diketones (I) and (IV) with various α‐ketoesters (II) to give chromene derivatives in high yields with an enantiomeric excess up to 96%.
ChemInform Abstract: Reactions of Salicylaldehydes with Activated Terminal Alkynes in Aqueous Media: Synthesis of 3‐Substituted 4‐Hydroxy Chromenes as Potential Cytotoxic Agents.
Authors: Singh Shambhu Nath , Bopanni Ramu , Jayaprakash Sarva , Reddy K. Venkateshwara , Ashfaq Mohd Ashraf , Kumar K. Shiva , Pal Manojit 
Published: January 2015

AbstractDerivatives (IIIc) and (IIId) show interesting inhibitory activity against MDA‐MB231 (breast cancer) cells.
ChemInform Abstract: Synthesis and Characterization of 11‐Amino‐3‐methoxy‐8‐substituted‐12‐aryl‐8,9‐dihydro‐7H‐chromeno [2,3‐b]quinolin‐10(12H)‐one Derivatives.
Authors: Han Guangfan , Du Jiawei , Chen Lizhuang , Zhao Lijun 
Published: January 2015

AbstractTarget compounds (VI) were prepared by condensation of 3‐methoxyphenol (I) with β‐dicyanostyrenes (II) followed by reaction with cyclic β‐dicarbonyl compounds (IV) and cyclization of the intermediate enamines (V).
ChemInform Abstract: Metal‐Free Annulation of Arenes with 2‐Aminopyridine Derivatives: The Methyl Group as a Traceless Non‐Chelating Directing Group.
Authors: Manna Srimanta , Matcha Kiran , Antonchick Andrey P. 
Published: January 2015

AbstractIn the reactions using 2‐aminoquinoline derivatives (2‐AQ) an unprecedented demethylative annulation is observed.
ChemInform Abstract: Microwave‐Assisted Synthesis of Tetrahydro‐β‐carbolines and β‐Carbolines.
Authors: Eagon Scott , Anderson Marc O. 
Published: January 2015

AbstractA microwave‐assisted Pictet‐Spengler reaction yields tetrahydro‐β‐carbolines as TFA or HCl salts depending on work‐up.
ChemInform Abstract: Synthesis of Fused Heterocycles via Preferential Hydroamination of O‐Haloarylalkynes over N‐Arylation and Successive Intramolecular C—C Bond Formation.
Authors: Jha Rajeev Ranjan , Danodia Abhinandan Kumar , Verma Akhilesh Kumar 
Published: January 2015

AbstractA Cu‐catalyzed tandem approach for the synthesis of indolo‐ and pyrrolonaphthyridines via regioselective addition of indoles or pyrrole to 3‐bromo‐2‐ethynylpyridines (II) followed by intramolecular cyclization is presented.
ChemInform Abstract: Rh(III)‐Catalyzed Synthesis of Sultones Through C—H Activation Directed by a Sulfonic Acid Group.
Authors: Qi Zisong , Wang Mei , Li Xingwei 
Published: January 2015

AbstractThe synthesis of sultones by rhodium(III)‐catalyzed oxidative coupling between arylsulfonic acids and alkynes is reported.
ChemInform Abstract: Microwave‐Assisted Palladium Mediated Efficient Synthesis of Pyrazolo[3,4‐b]pyridines, Pyrazolo[3,4‐b]quinolines, Pyrazolo[1,5‐a]pyrimidines and Pyrazolo[1,5‐a]quinazolines.
Authors: Shekarrao Kommuri , Kaishap Partha Pratim , Saddanapu Venkateshwarlu , Addlagatta Anthony , Gogoi Sanjib , Boruah Romesh C. 
Published: January 2015

AbstractThe reaction is conducted under environmentally benign conditions.
ChemInform Abstract: One‐Pot Approach to 2‐Arylbenzoxazinone Derivatives from 2‐Alkynylanilines Using Copper‐Mediated Tandem Reactions.
Authors: Yamashita Mitsuaki , Iida Akira 
Published: January 2015

AbstractThe target compounds can also be obtained from 2‐iodoanilines (VI) in a one‐pot, three‐step synthesis via a preceding Sonogashira coupling.
ChemInform Abstract: Diastereoselective Synthesis of Novel Aza‐Diketopiperazines via a Domino Cyclohydrocarbonylation/Addition Process.
Authors: Regenass Pierre , Margathe Jean‐Francois , Mann Andre , Suffert Jean , Hibert Marcel , Girard Nicolas , Bonnet Dominique 
Published: January 2015

AbstractThe stereoselective synthesis of novel bicyclic and tricyclic aza‐diketopiperazines is developed.
ChemInform Abstract: An Efficient and Mild Oxidant for the Synthesis of S‐Tetrazines.
Authors: Selvaraj Ramajeyam , Fox Joseph M. 
Published: January 2015

AbstractDiacetoxyiodobenzene is found to be a mild and efficient oxidant for the oxidation of 1,4‐dihydro‐s‐tetrazines to s‐tetrazines.
ChemInform Abstract: Highly Selective Directed Arylation Reactions via Back‐to‐Back Dehydrogenative C—H Borylation/Arylation Reactions.
Authors: Keske Eric C. , Moore Brandon D. , Zenkina Olena V. , Wang Ruiyao , Schatte Gabriele , Crudden Cathleen M. 
Published: January 2015

AbstractPinacol borylation of 2‐arylpyridines is achieved in the presence of dimeric rhodium NHC complexes.
ChemInform Abstract: Efficient Hydrosilylation of Carbonyl Compounds by 1,1,3,3‐Tetramethyldisiloxane Catalyzed by Au/TiO2.
Authors: Vasilikogiannaki Eleni , Titilas Ioannis , Gryparis Charis , Louka Anastasia , Lykakis Ioannis N. , Stratakis Manolis 
Published: January 2015

AbstractThe transformations of aldehydes with 1,1,3,3‐tetramethyldisiloxane (X) are also performed at 25 °C requiring slightly longer reaction times.
ChemInform Abstract: Three New and Other Limonoids from the Hexane Extract of Melia azedarach Fruits and Their Cytotoxic Activities.
Authors: Pan Xin , Matsumoto Masahiro , Nakamura Yasuhiro , Kikuchi Takashi , Zhang Jie , Ukiya Motohiko , Suzuki Takashi , Koike Kazuo , Akihisa Rima , Akihisa Toshihiro 
Published: January 2015

Abstractisolation, structure and cytotoxicity of three new limonoids (I), (II) along with 16 known limonoids and a known triterpenoid
ChemInform Abstract: Epunctanone, a New Benzophenone, and Further Secondary Metabolites from Garcinia epunctata Stapf (Guttiferae).
Authors: Fotso Ghislain W. , Ntumy Aku N. , Ngachussi Eliette , Dube Mthandazo , Mapitse Renameditswe , Kapche Gilbert D. W. F. , Andrae‐Marobela Kerstin , Ngadjui Bonaventure T. , Abegaz Berhanu M. 
Published: January 2015

Abstractisolation, structure elucidation, and evaluation of the antimicrobial, antiprotozoal, and antinematodal activities
ChemInform Abstract: Three New Cassane‐Type Diterpenes from Caesalpinia minax
Authors: Ma Rui‐Jing , Hu Jiang‐Miao , Yang Xun‐Yun , Wang Li‐Qin 
Published: January 2015

Abstractisolation and structure elucidation of three new diterpenes, 14‐dehydroxy‐12,16‐dihydrocaesaldekarin L (I), 1‐deacetyl‐12‐ethoxyneocaesalpin N (IIa), and 1‐deacetylneocaesalpin N (Ib), along with two known cassane‐type diterpenes
ChemInform Abstract: An Unusual Mulinane Diterpenoid from the Chilean Plant Azorella trifurcata (Gaertn) Pers.
Authors: Areche Carlos , Sepulveda Beatriz , San Martin Aurelio , Garcia‐Beltran Olimpo , Simirgiotis Mario , Canete Alvaro 
Published: January 2015

AbstractFour new mulinane‐type diterpenoids are isolated from Azorella trifurcata.
Computational Photochemistry of the Azobenzene Scaffold of Sudan I and Orange II Dyes: Excited‐State Proton Transfer and Deactivation via Conical Intersections
Authors: Guan Pei‐Jie , Cui Ganglong , Fang Qiu 
Published: January 2015

AbstractWe employed the complete active space self‐consistent field (CASSCF) and its multistate second‐order perturbation (MS‐CASPT2) methods to explore the photochemical mechanism of 2‐hydroxyazobenzene, the molecular scaffold of Sudan I and Orange II dyes. It was found that the excited‐state intramolecular proton transfer (ESIPT) along the bright diabatic 1ππ* state is barrierless and ultrafast. Along this diabatic 1ππ* relaxation path, the system can jump to the dark 1nπ* state via the 1ππ*/1nπ* crossing point. However, ESIPT in this dark state is largely inhibited owing to a sizeable barrier. We also found two deactivation channels that decay 1ππ* keto and 1nπ* enol species to the ground state via two energetically accessible S1/S0 conical intersections. Finally, we encountered an interesting phenomenon in the excited‐state hydrogen‐bonding strength: it is reinforced in the 1ππ* state, whereas it is reduced in the 1nπ* state. The present work sets the stage for understanding the photophysics and photochemistry of Sudan I–IV, Orange II, Ponceau 2R, Ponceau 4R, and azo violet.