bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Engineered‐Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of α,α‐Dialkyl‐α‐Amino Acids.
Authors: Hernandez Karel , Zelen Igor , Petrillo Giovanna , Uson Isabel , Wandtke Claudia M. , Bujons Jordi , Joglar Jesus , Parella Teodor , Clapes Pere
Published: June 2015

A highly diastereoselective aldol addition of aldehydes to serine and alanine is established.
ChemInform Abstract: A Robust and Modular Synthesis of Ynamides.
Authors: Mansfield Steven J. , Campbell Craig D. , Jones Michael W. , Anderson Edward A.
Published: June 2015

The method for the synthesis of the title compounds uses trichloroethene as an inexpensive two carbon synthon and overcomes many of the limitations of other approaches.
ChemInform Abstract: Copper‐Catalyzed Cyanomethylation of Allylic Alcohols with Concomitant 1,2‐Aryl Migration: Efficient Synthesis of Functionalized Ketones Containing an α‐Quaternary Center.
Authors: Bunescu Ala , Wang Qian , Zhu Jieping
Published: June 2015

The novel copper‐catalyzed coupling reaction of allylic alcohols with alkyl nitriles leads to ketones with the concomitant creation of an α‐quaternary center.
ChemInform Abstract: Copper‐Catalyzed Three‐Component Reactions of Phenols, Acyl Chlorides and Wittig Reagents for the Synthesis of β‐Aryloxyl Acrylates.
Authors: Zhang Yi , Liu Yunyun , Wan Jie‐Ping
Published: June 2015

The title compounds are obtained with high diversity involving the cascade formation of a new C=C bond and a C(sp2)—O bond using glucose as a green ligand.
ChemInform Abstract: Aqueous Sonogashira Coupling of Aryl Halides with 1‐Alkynes under Mild Conditions: Use of Surfactants in Cross‐Coupling Reactions.
Authors: Roberts Gina M. , Lu Wenya , Woo L. Keith
Published: June 2015

Addition of inexpensive, commercially available and recyclable surfactants such as SDS and CTAB in the aqueous‐phase Sonagashira coupling of various aryl iodides and bromide with alkynes results in a substantial improvement of product yields.
ChemInform Abstract: Dialkylzinc‐Mediated Cross‐Coupling Reactions of Perfluoroalkyl and Perfluoroaryl Halides with Aryl Halides.
Authors: Kato Hisano , Hirano Keiichi , Kurauchi Daisuke , Toriumi Naoyuki , Uchiyama Masanobu
Published: June 2015

A chemoselective perfluoroalkylation becomes possible by halogen—zinc exchange followed by coupling with a broad spectrum of aryl iodides and some bromides.
ChemInform Abstract: Copper‐Catalyzed Intermolecular and Regioselective Aminofluorination of Styrenes: Facile Access to β‐Fluoro‐N‐protected Phenethylamines.
Authors: Saavedra‐Olavarria Jorge , Arteaga Gean C. , Lopez Jhon J. , Perez Edwin G.
Published: June 2015

A new copper‐catalyzed regioselective aminofluorination of styrenes under mild conditions is presented.
ChemInform Abstract: One‐Pot Synthesis of 3,5‐Disubstituted and Polysubstituted Phenols from Acyclic Precursors.
Authors: Qian Jinlong , Yi Wenbin , Huang Xin , Miao Yongbo , Zhang Junkai , Cai Chun , Zhang Wei
Published: June 2015

A new strategy for the synthesis of differently substituted phenols is established through one‐pot Robinson annulation of α‐fluoro‐β‐ketoesters with α,β‐unsaturated ketones followed by in situ dehydrofluorination and tautomerization.
ChemInform Abstract: Copper‐Catalyzed Synthesis of Imides from Aldehydes or Alcohols and Amine Hydrochloride Salts.
Authors: Yu Hui , Zhang Yonghao
Published: June 2015

An efficient and practical method for the synthesis of imides by simple reaction of aldehydes or benzylic alcohols with amine hydrochloride salts is given.
ChemInform Abstract: Transition‐Metal‐Free Direct Amination of Simple Arenes with Sulfonyl Azides.
Authors: Wang Lianggui , Borah Arun Jyoti , Yan Guobing
Published: June 2015

An efficient nitrene transfer process to arenes using azides under metal free conditions is reported.
ChemInform Abstract: Transition‐Metal‐Free Persulfuration to Construct Unsymmetrical Disulfides and Mechanistic Study of the Sulfur Redox Process.
Authors: Xiao Xiao , Feng Minghao , Jiang Xuefeng
Published: June 2015

The comproportionation between the low‐valence sulfur atom in a thiosulfate and a high‐valence S in a sulfinate efficiently affords asymmetric disulfides without additional oxidant.
ChemInform Abstract: Acid‐Promoted Direct Electrophilic Trifluoromethylthiolation of Phenols.
Authors: Jereb Marjan , Gosak Kaja
Published: June 2015

BF3·OEt2 or TfOH are used as promoters in the electrophilic aromatic ring trifluoromethylthiolation of various substituted phenols.
ChemInform Abstract: Synthesis and Characterization of Hexaarylbenzenes with Five or Six Different Substituents Enabled by Programmed Synthesis.
Authors: Suzuki Shin , Segawa Yasutomo , Itami Kenichiro , Yamaguchi Junichiro
Published: June 2015

A C—H activation followed by cross‐coupling and [4+2] cycloaddition allows the approach to the desired polyaryl systems.
ChemInform Abstract: Efficient Phosphine Ligands for the One‐Pot Palladium‐Catalyzed Borylation/Suzuki—Miyaura Cross‐Coupling Reaction.
Authors: Chen You , Peng Hui , Pi Yun‐Xiao , Meng Tong , Lian Ze‐Yu , Yan Meng‐Qi , Liu Yan , Liu Sheng‐Hua , Yu Guang‐Ao
Published: June 2015

A novel phosphine ligand is synthesized and successfully applied in the synthesis of symmetrical and unsymmetrical biaryl compounds.
ChemInform Abstract: Copper‐Catalyzed Cross‐Coupling of Arylzirconium Reagents with Aryl and Heteroaryl Iodides.
Authors: Thapa Surendra , Basnet Prakash , Gurung Santosh K. , Giri Ramesh
Published: June 2015

An unprecedented Cu(I)‐catalyzed cross‐coupling of in situ generated arylzirconium reagents (II) with aryl and hetaryl iodides is reported.
ChemInform Abstract: A Novel Green Protocol for Ligand Free Suzuki—Miyaura Cross‐Coupling Reactions in WEB at Room Temperature.
Authors: Boruah Preeti Rekha , Ali Abdul Aziz , Saikia Bishwajit , Sarma Diganta
Published: June 2015

Water extract of banana peel ash (WEB) is employed in ligand‐free Suzuki—Miyaura cross‐coupling reactions.
ChemInform Abstract: Rh(I)‐Catalyzed Cross‐Coupling of α‐Diazoesters with Arylsiloxanes.
Authors: Xia Ying , Liu Zhen , Feng Sheng , Ye Fei , Zhang Yan , Wang Jianbo
Published: June 2015

The first rhodium catalyzed Hiyama—type cross—coupling reaction between arylsiloxanes and diazoesters is developed and gives access to a wide range of α‐aryl esters (64 examples).
ChemInform Abstract: Enhancing Catalytic Activity Towards Heck‐Reaction by Using 4,5,9,10‐Tetra(arylimino)pyrenylidenyldipalladium Tetrachlorides.
Authors: Zhao Tong , Xing Qifeng , Song Kuifeng , Ban Qing , Liang Tongling , Liu Qingbin , Sun Wen‐Hua
Published: June 2015

Four new binuclear 4,5,9,10‐tetra(arylimino)pyrenylidenyldipalladium tetrachlorides are synthesized and all promote the Heck cross‐coupling reaction with high activities.
ChemInform Abstract: Dual Gold‐Catalyzed Head‐to‐Tail Coupling of Iodoalkynes.
Authors: Mader Steffen , Molinari Lise , Rudolph Matthias , Rominger Frank , Hashmi A. Stephen K.
Published: June 2015

One alkyl‐substituted and some aryl‐containing gem‐diiodinated conjugated enynes are formed with moderate to good yield in the presence of dual‐activation catalyst shown in the scheme as the most optimal one (mechanism).
ChemInform Abstract: Lewis and Broensted Acid Induced (3 + 2)‐Annulation of Donor—Acceptor Cyclopropanes to Alkynes: Indene Assembly.
Authors: Rakhmankulov Eduard R. , Ivanov Konstantin L. , Budynina Ekaterina M. , Ivanova Olga A. , Chagarovskiy Alexey O. , Skvortsov Dmitriy A. , Latyshev Gennadij V. , Trushkov Igor V. , Melnikov Mikhail Ya.
Published: June 2015

(3 + 2)‐Annulation of donor—acceptor cyclopropanes to alkynes induced by both Lewis and Broensted acids is developed.
ChemInform Abstract: Efficient Green Approach for the Synthesis of Spiro[indoline‐3,4′‐pyrazolo[3,4‐b]quinoline]diones Using [NMP]H2PO4 and Solvatochromic and pH Studies.
Authors: Kumari Sudesh , Sindhu Jayant , Khurana J. M.
Published: June 2015

11 Title compounds of type (IV) are prepared by a three‐component one‐pot reaction using NMP·H3PO4 as a catalyst.
ChemInform Abstract: Formal [4 + 1] Cycloaddition of o‐Quinone Methides: Facile Synthesis of Dihydrobenzofurans.
Authors: Lei Xiantao , Jiang Chun‐Huan , Wen Xiaoan , Xu Qing‐Long , Sun Hongbin
Published: June 2015

2‐Substituted dihydrobenzofurans are efficiently obtained by reaction of various sulfur ylides with o‐quinone methides, which are generated under mild reaction conditions
ChemInform Abstract: Palladium‐Catalyzed Phosphine‐Free Direct C—H Arylation of Benzothiophenes and Benzofurans Involving MIDA Boronates.
Authors: Wang Zhiwei , Li Yabo , Yan Beiqi , Huang Mengmeng , Wu Yangjie
Published: June 2015

For the first time, MIDA boronates (II) are used in C—H arylation reactions of heterocycles.
ChemInform Abstract: Palladium(0)‐Catalyzed Iminohalogenation of Alkenes: Synthesis of 2‐Halomethyl Dihydropyrroles and Mechanistic Insights into the Alkyl Halide Bond Formation.
Authors: Chen Chen , Hou Longlei , Cheng Mian , Su Jianhua , Tong Xiaofeng
Published: June 2015

The title reaction proceeds with the assistance of halide salts and provides facile access to synthetically useful 2‐halomethyl dihydropyrroles.
ChemInform Abstract: γ‐Aminoalcohol Rearrangement Applied to Pentahydroxylated Azepanes Provides Pyrrolidines Epimeric to HomoDMDP.
Authors: Jagadeesh Y. , Tran A. T. , Luo B. , Auberger N. , Desire J. , Nakagawa S. , Kato A. , Zhang Y. , Sollogoub M. , Bleriot Y.
Published: June 2015

A short sequence is described for the conversion of azepanes (I) and (V) into pyrrolidines (IV) and (VIII), which are epimeric to α‐glucosidase inhibitor homoDMDP.
ChemInform Abstract: Synthesis of 3‐(1,2‐Dioxoethyl)‐ and 2,3‐Dicarbonyl‐Containing Pyrroles.
Authors: Galenko Alexey V. , Khlebnikov Alexander F. , Novikov Mikhail S. , Avdontceva Margarita S.
Published: June 2015

The copper‐catalyzed reaction of tricarbonyl compounds and azirines results in the formation of two substituted pyrroles.
ChemInform Abstract: DIAD as a Promoter for Cyanomethylation of Alkenes by Cu Catalysis.
Authors: Tang Shi , Li Shu‐Hua , Li Zhi‐Hao , Zhou Dong , Sheng Rui‐Long
Published: June 2015

A novel DIAD‐promoted oxidative radical cyanomethylation of activated alkenes by inexpensive CuI is developed.
ChemInform Abstract: Simple Aza‐Conjugate Addition Methodology for the Synthesis of Isoindole Nitrones and 3,4‐Dihydroisoquinoline Nitrones.
Authors: Peacock Lucy R. , Chapman Robert S. L. , Sedgwick Adam C. , Mahon Mary F. , Amans Dominique , Bull Steven D.
Published: June 2015

The title compounds are obtained by reaction of aryl‐aldehydes containing ortho‐substituted α,β‐unsaturated carboxylic acid derivatives with hydroxylamine leading to reactive N‐hydroxy‐carbinolamine intermediates which undergo intramolecular aza‐conjugate addition reactions.
ChemInform Abstract: Three‐Component, Four‐Molecule, Ru‐Catalyzed Cascade Reactions of Indoles and Alkyl Bromides with Sodium Nitrite.
Authors: Qu Hongen , Li Jiuling , Li Huiliang , Wang Hengshan , Liu Liangxian
Published: June 2015

(E)‐2,3′‐bi(3H‐indol)‐3‐one O‐alkyl oximes (III), (V) are regio‐ and stereoselectively obtained.
ChemInform Abstract: Diastereoselective Synthesis of Functionalized Carbazoles via a Sequential Diels—Alder/Ene Reaction Strategy.
Authors: Cowell Joseph , Abualnaja Matokah , Morton Stephanie , Linder Ruth , Buckingham Faye , Waddell Paul G. , Probert Michael R. , Hall Michael J.
Published: June 2015

An operationally simple one‐pot, three‐component, diastereoselective synthesis of saturated carbazoles and related pyridazino[3,4‐b]indoles, based on two sequential intermolecular pericyclic reactions, is described.
ChemInform Abstract: Simple Access to Highly Functional Bicyclic γ‐ and δ‐Lactams: Origins of Chirality Transfer to Contiguous Tertiary/Quaternary Stereocenters Assessed by DFT.
Authors: Le Goff Ronan , Martel Arnaud , Sanselme Morgane , Lawson Ata Martin , Daich Adam , Comesse Sebastien
Published: June 2015

A series of bicyclic lactams is prepared by a base‐mediated reaction of hydroxyl halogenoamides with corresponding Michael acceptors.
ChemInform Abstract: Formation of Benzo[f]‐1‐indanone Frameworks by Regulable Intramolecular Annulations of gem‐Dialkylthio Trienynes.
Authors: Fang Zhongxue , Liu Ying , Barry Badru‐Deen , Liao Peiqiu , Bi Xihe
Published: June 2015

An atom‐economic route to benzo[f]‐1‐indanone frameworks is developed starting from readily available gem‐dialkylthio trienynes by intramolecular annulations.
ChemInform Abstract: Three‐Component Synthesis of Fluorinated Pyrazoles from Fluoroalkylamines, NaNO2 and Electron‐Deficient Alkynes.
Authors: Mykhailiuk Pavel K.
Published: June 2015

The reaction between RCF2CH2NH2·HCl, NaNO2, and alkynes significantly depends on the substituents.
ChemInform Abstract: PhI(OAc)2‐Mediated Functionalization of Unactivated Alkenes for the Synthesis of Pyrazoline and Isoxazoline Derivatives.
Authors: Hu Xiao‐Qiang , Feng Guoqiang , Chen Jia‐Rong , Yan Dong‐Mei , Zhao Quan‐Qing , Wei Qiang , Xiao Wen‐Jing
Published: June 2015

Optimal conditions are developed for the radical cyclization of β,γ‐unsaturated hydrazones and oximes to afford pyrazolines and isoxazolines.
ChemInform Abstract: Transition‐Metal‐Catalyzed Arylation of Nitroimidazoles and Further Transformations of Manipulable Nitro Group.
Authors: Iaroshenko Viktor O. , Gevorgyan Ashot , Mkrtchyan Satenik , Arakelyan Knar , Grigoryan Tatevik , Yedoyan Julietta , Villinger Alexander , Langer Peter
Published: June 2015

The Pd‐catalyzed C‐H arylation of 2‐methyl substituted nitroimidazoles is found to yield the corresponding 5‐aryl derivatives.
ChemInform Abstract: Efficient One‐Pot Synthesis of 2‐Oxazolines from Benzoylacetonitrile and β‐Aminoalcohols Mediated by ZnCl2.
Authors: Luo Mei , Zhang Jing Cheng , Yin Hao
Published: June 2015

This reaction procedure is advantageous because it does not require any strong alkaline medium and uses the inexpensive catalyst ZnCl2
ChemInform Abstract: Regioselective Synthesis of 1,5‐Disubstituted 1,2,3‐Triazoles by Reusable AlCl3 Immobilized on γ‐Al2O3.
Authors: Nanjundaswamy Hemmaragala M. , Abrahamse Heidi
Published: June 2015

The title compounds (III) and (V) are regioselectively obtained by [3+2] cycloaddition of phenyl and benzyl azides with various aryl nitroolefins using surface‐modified γ‐Al2O3 as efficient, reusable, safe, and environmentally acceptable catalyst.
ChemInform Abstract: Silica Molybdic Acid Catalyzed Eco‐Friendly Three Component Synthesis of Functionalized Tetrazole Derivatives under Microwave Irradiation in Water.
Authors: Ahmed Nayeem , Siddiqui Zeba N.
Published: June 2015

Optimum reaction conditions are studied for the three‐component synthesis of functionalized tetrazole derivatives under microwave irradiation.
ChemInform Abstract: Sultam Thioureas Synthesized via an Alternative Ring‐Forming Reaction.
Authors: Li Victoria , Le Diane N. , Valente Edward J. , Wood Warren J. L.
Published: June 2015

Title compounds (III) are prepared by reaction of N‐substituted chloromethanesulfonamides (I) with thiocarbamoyl isothiocyanate intermediates generated in situ from (II) and triphenyl phosphine.
ChemInform Abstract: Green Method for the Synthesis of Chromeno[2,3‐c]pyrazol‐4(1H)‐ones Through Ionic Liquid Promoted Directed Annulation of 5‐(Aryloxy)‐1H‐pyrazole‐4‐carbaldehydes in Aqueous Media.
Authors: Li He , Liu Chenjiang , Zhang Yonghong , Sun Yadong , Wang Bin , Liu Wenbo
Published: June 2015

For the first time an ionic liquid promotes the title reaction.
ChemInform Abstract: Synthesis of 3‐Arylisocoumarins by Using Acyl Anion Chemistry and Synthesis of Thunberginol A and Cajanolactone A.
Authors: Sudarshan Kasireddy , Manna Manash Kumar , Aidhen Indrapal Singh
Published: June 2015

A new entry for the synthesis of 3‐arylisocoumarins is investigated using acyl anion chemistry for the initial C—C bond formation.
ChemInform Abstract: Chemoselective Condensation of‐Naphthol, Dimethyl Malonate, and Aromatic Aldehydes Promoted by Niobium Pentachloride.
Authors: de Andrade Bartolomeu Aloisio , de Menezes Manoel Lima , da Silva‐Filho Luiz Carlos
Published: June 2015

The multicomponent reaction of β‐naphthol, dimethyl malonate, and aromatic aldehydes promoted by niobium pentachloride is described.
ChemInform Abstract: Substituent‐Directed Reduction of Cyclic Aminals Leading to Two Different Heterocycles Selectively: Syntheses of Functionalized Nicotines and Pyrido[2,3‐b]azepines.
Authors: Zhang Yuewei , Zheng Lianyou , Yang Fengzhi , Zhang Zhuoqi , Dang Qun , Bai Xu
Published: June 2015

This simple protocol allows the reductive ring opening of various aza‐bridged pyridoazepines.
ChemInform Abstract: Silica Sulfuric Acid: An Efficient, Reusable, Heterogeneous Catalyst for the One‐Pot, Five‐Component Synthesis of Highly Functionalized Piperidine Derivatives.
Authors: Basyouni Wahid M. , El‐Bayouki Khairy A. M. , Tohamy Wael M. , Abbas Samir Y.
Published: June 2015

20 Title compounds of type (IV) are prepared by a one‐pot three‐component reaction which is catalyzed by silica sulfuric acid.
ChemInform Abstract: Rh‐Catalyzed Decarbonylative Coupling with Alkynes via C—C Activation of Isatins.
Authors: Zeng Rong , Dong Guangbin
Published: June 2015

The reaction of alkynes with isatins affords the 3,4‐disubstituted 1,2‐dihydroquinolin‐2‐ones with remarkable regioselectivity in the case of unsymmetrically substituted alkynes.
ChemInform Abstract: Synthesis and Evaluation of the Antitumor Activity of Polyhalo Acridone Derivatives.
Authors: Huang Chao , Yan Sheng‐Jiao , Zeng Xiang‐Hui , Sun Bo , Lan Min‐Bo , Lin Jun
Published: June 2015

The antitumor bioactivity screening reveals that all compounds (II) and (III) (27 compounds in all) exhibit potent cytotoxicity.
ChemInform Abstract: Highly Regio‐ and Diastereo‐Selective Synthesis of Novel Tri‐ and Tetra‐Cyclic Perhydroquinoline Architectures via an Intramolecular [3 + 2] Cycloaddition Reaction.
Authors: Bakthadoss M. , Kannan D. , Srinivasan J. , Vinayagam V.
Published: June 2015

The title compounds are efficiently and highly stereoselectively obtained via in situ formation of azomethine ylides followed by an intramolecular [3+2] cycloaddition reaction.
ChemInform Abstract: Synthesis of Indolo[1,2‐f]phenanthridines by Pd‐Catalyzed Domino C—N Coupling/Hydroamination/C—H Arylation Reactions.
Authors: Ngo Thang Ngoc , Ehlers Peter , Dang Tuan Thanh , Villinger Alexander , Langer Peter
Published: June 2015

Two variants for the synthesis of the title compounds (III) and (VI) are developed.
ChemInform Abstract: An Efficient Synthesis of Benzo[b]benzofurano[2,3‐e][1,6]naphthyridine‐8‐ones.
Authors: Wang Dao‐Lin , Wu Dan , Zhao Wei , Wang Yong‐Yang , Wu Jian‐Ying
Published: June 2015

Title compounds are synthesized via Pictet—Spengler reaction of (aminobenzofuranyl)quinoline‐2‐ones, which could be obtained from alkylation of bromomethylquinoline‐2‐ones with salicylonitrile and subsequent Thorpe—Ziegler isomerization, with aromatic aldehydes in good yields.
ChemInform Abstract: L‐Proline Catalyzed Three‐Component Synthesis of para‐Naphthoquinone—4‐aza‐Podophyllotoxin Hybrids as Potent Antitumor Agents.
Authors: Yang Xiaojuan , Zhang Chong , Wu Liqiang
Published: June 2015

All new compounds are tested for their antitumor activity on human hepatoma cells (HepG2) and the Henrietta Lacks strain of cancer cells (Hela).
ChemInform Abstract: Pd‐Catalyzed Asymmetric Intramolecular Aryl C—O Bond Formation with SDP(O) Ligand: Enantioselective Synthesis of (2,3‐Dihydrobenzo[b][1,4]dioxin‐2‐yl)methanols.
Authors: Shi Jialing , Wang Ting , Huang Yusha , Zhang Xinhao , Wu Yun‐Dong , Cai Qian
Published: June 2015

The method has been successfully applied in the syntheses of selective 5‐HT1A receptor agonist MKC‐242 (VIIIa) and selective α1D‐adrenoceptor inhibitor WB4101 (VIIIb).
ChemInform Abstract: A New Efficient Synthesis of 4‐Alkoxy‐1,6‐diaryl‐1H‐pyrazolo[3,4‐d]pyrimidine Derivatives.
Authors: Liu Ju , Zhang Xin‐wei , Wang Yang , Chen Ye , Zhang Mei‐rong , Cai Zhi‐qiang , Zhou Yun‐peng , Xu Li‐feng
Published: June 2015

The title compounds (IV) are efficiently obtained by the three‐component one‐step reaction of 5‐amino‐1‐aryl‐1H‐pyrazole‐4‐carbonitriles (I) with various arylaldehydes and MeOH or EtOH.
ChemInform Abstract: Synthesis of Novel Azole‐Fused Quinazolines via One‐Pot, Sequential Ullmann‐Type Coupling and Intramolecular Dehydrogenative C—N Bonding.
Authors: Nandwana Nitesh Kumar , Pericherla Kasiviswanadharaju , Kaswan Pinku , Kumar Anil
Published: June 2015

N‐fused tetra‐, penta‐, and hexa‐cyclic frameworks are efficiently obtained in a single step by Pd/Cu co‐catalyzed, Ullman‐type coupling followed by cross dehydrogenative coupling of various azoles.
ChemInform Abstract: Three‐Component Domino Heteroannulation and Synthesis of Some Novel Hexahydropyrimido[4,5‐b]‐1,8‐naphthyridine Derivatives.
Authors: Naidu P. Seetham , Kolita Sinki , Majumder Swarup , Bhuyan Pulak J.
Published: June 2015

This one‐pot three‐component reaction between a cyano(indolyl)pentenedinitrile or dicyano(indolyl)butenoate derivative, an aldehyde and an aminouracil derivative includes two pyridine ring formations by elimination of water molecules during the domino process, as well as the involvement of two cyanide groups in the cyclization process.
ChemInform Abstract: Synthesis of Pyrazines from Rhodium‐Catalyzed Reaction of 2H‐Azirines with N‐Sulfonyl 1,2,3‐Triazoles.
Authors: Ryu Taekyu , Baek Yonghyeon , Lee Phil Ho
Published: June 2015

A new and efficient method for the synthesis of trisubstituted pyrazines is developed.
ChemInform Abstract: Catalytic Asymmetric Alkylation of Acylsilanes.
Authors: Rong Jiawei , Oost Rik , Desmarchelier Alaric , Minnaard Adriaan J. , Harutyunyan Syuzanna R.
Published: June 2015

The highly enantioselective addition of Grignard reagents to acylsilanes is catalyzed by a copper diphosphine complex.
ChemInform Abstract: Applications of α‐Phosphonovinyl Tosylates in the Synthesis of α‐Arylethenylphosphonates via Suzuki—Miyaura Cross‐Coupling Reactions.
Authors: Fang Yewen , Zhang Li , Li Jinjian , Jin Xiaoping , Yuan Meijuan , Li Ruifeng , Wu Rong , Fang Jianghua
Published: June 2015

For the first time, α‐phosphonovinyl tosylates are efficiently coupled with a range of arylboronic acids to access α‐arylethenylphosphonates.
ChemInform Abstract: An Organocatalytic Biomimetic Approach to α‐Aminophosphonates.
Authors: Kowalczyk Dorota , Albrecht Lukasz
Published: June 2015

A novel approach to highly enantiomerically enriched α‐aminophosphonates (III) is presented.
ChemInform Abstract: Four‐Component α‐Bromo‐β‐phosphoalkoxylation of Aromatic α,β‐Unsaturated Carbonyl Compounds.
Authors: Sohail Muhammad , Zhang Yixin , Liu Wujun , Chen Qin , Wang Lei , Zhao Zongbao K.
Published: June 2015

The four‐component α‐bromo‐β‐phosphoalkoxylation of aromatic α,β‐unsaturated carbonyl compounds is described.
ChemInform Abstract: One‐Pot Synthesis of a 1,2‐Diphospholide by Double C—H Deprotonation.
Authors: Dixon Lily S. H. , Matthews Peter D. , Solomon Sophia A. , Wright Dominic S.
Published: June 2015

A new high‐yielding and direct route to the 1,2‐diphospholide ligand framework using a very simple approach is presented.
ChemInform Abstract: Denticulatains A and B: Unique Stilbene—Diterpene Heterodimers from Macaranga denticulata.
Authors: Yang Da‐Song , Li Zi‐Lei , Wang Xue , Yan Hui , Yang Yong‐Ping , Luo Huai‐Rong , Liu Ke‐Chun , Xiao Wei‐Lie , Li Xiao‐Li
Published: June 2015

The heterodimers, denticulatains A (I) and B (II), possessing an unprecedented stilbene‐diterpene‐type skeleton are isolated from the fronds of Macaranga denticulata.
ChemInform Abstract: A Pair of Novel 2,3‐seco Cafestol‐Type Diterpenoid Epimers from the Twigs of Tricalysia fruticosa
Authors: Shen Chuan‐Pu , Luo Jian‐Guang , Yang Ming‐Hua , Kong Ling‐Yi
Published: June 2015

isolation and structure elucidation of frutilactones A (Ia) and B (Ib)
ChemInform Abstract: Sarcophytrols A—C, New Capnosane Diterpenoids from the South China Sea Soft Coral Sarcophyton trocheliophorum
Authors: Chen Wen‐Ting , Yao Li‐Gong , Li Xu‐Wen , Guo Yue‐Wei
Published: June 2015

isolation and structure elucidation
ChemInform Abstract: Six New 3,4‐seco‐27‐Norlanostane Triterpenes from the Medicinal Mushroom Ganoderma boninense and Their Antiplasmodial Activity and Agonistic Activity to LXRβ.
Authors: Ma Ke , Li Li , Bao Li , He Luwei , Sun Chen , Zhou Bing , Si Shuyi , Liu Hongwei
Published: June 2015

Ganoboninones A‐F (I)‐(IV) possessing an interesting tetradecahydrobenzo[4,5]indeno[1,7a‐c]furan backbone are isolated along with three known compounds, ganoboninketals A‐C, from the fruiting bodies of the medicinal mushroom Ganoderma boninense.
ChemInform Abstract: Synthesis of Bicyclic Proline Derivatives by the Aza‐Cope—Mannich Reaction: Formal Synthesis of (.+‐.)‐Acetylaranotin.
Authors: Belov Dmitry S. , Ratmanova Nina K. , Andreev Ivan A. , Kurkin Alexander V.
Published: June 2015

Some examples concerning the key step for the approach to the desired amino acid segments are presented in the scheme.
ChemInform Abstract: 3‐(Dimethylamino)‐1‐propylamine: A Cheap and Versatile Reagent for Removal of Byproducts in Carbohydrate Chemistry.
Authors: Andersen Sofie Meng , Heuckendorff Mads , Jensen Henrik H.
Published: June 2015

3‐(dimethylamino)‐1‐propylamine is used as reagent for selective anomeric deacylation in carbohydrate chemistry to give 1‐O deprotected sugars in high yields without chromatographic purification.
ChemInform Abstract: Microsphaerol and Seimatorone: Two New Compounds Isolated from the Endophytic Fungi, Microsphaeropsis sp. and Seimatosporium sp.
Authors: Hussain Hidayat , et al.
Published: June 2015

The new polychlorinated triphenyl diether, microsphaerol (I) exhibits good antibacterial activities against B.
ChemInform Abstract: Expansion of Metal‐Redox Nanosynthesis: The Case Study of Iron Gallium.
Authors: Kirkeminde Alec , Ren Shenqiang
Published: June 2015

It is demonstrated that the metal‐redox methodology can be expanded to systems with closely related reduction potentials, such as Fe and Ga, with the assistance of thermal energy.
ChemInform Abstract: Is TiO2(B) the Future of Titanium‐Based Battery Materials?
Authors: Fehse Marcus , Ventosa Edgar
Published: June 2015

Review: strategies to overcome the limitations of TiO2 polymorphs as electrode material for Li ion batteries with special attention to the monoclinic TiO2 bronze phase; 127 refs
ChemInform Abstract: Carbon Surface Functionalities and SEI Formation During Li Intercalation
Authors: Collins John , Gourdin Gerald , Foster Michelle , Qu Deyang
Published: June 2015

Review: SEI: solid electrolyte interphase; 322 refs.
ChemInform Abstract: Selectivities in Post‐Synthetic Modification of Borosilicate Zeolites
Authors: Koller Hubert , Chen Cong‐Yan , Zones Stacey I.
Published: June 2015

Review: 173 refs.
ChemInform Abstract: Magnetic and Charge Ordering in Nanosized Manganites
Authors: Zhang T. , Wang X. P. , Fang Q. F. , Li X. G.
Published: June 2015

Review: 107 refs.
ChemInform Abstract: Complexes Bearing Protic N‐Heterocyclic Carbenes: Synthesis and Applications
Authors: Jahnke Mareike C. , Hahn F. Ekkehardt
Published: June 2015

Review: [62 refs.
ChemInform Abstract: 100 Years of Metal Coordination Chemistry: From Alfred Werner to Anticancer Metallodrugs
Authors: Barry Nicolas P. E. , Sadler Peter J.
Published: June 2015

Review: 122 refs.
ChemInform Abstract: Single and Multiple Peptide γ‐Turns: Literature Survey and Recent Progress
Authors: Crisma Marco , De Zotti Marta , Moretto Alessandro , Peggion Cristina , Drouillat Bruno , Wright Karen , Couty Francois , Toniolo Claudio , Formaggio Fernando
Published: June 2015

Review: 102 refs.
ChemInform Abstract: Advances in Dearomatization Strategies of Indoles
Authors: Roche Stephane P. , Youte Tendoung Jean‐Jacques , Treguier Bret
Published: June 2015

Review: [222 refs.
ChemInform Abstract: Design and Synthesis of Analogues of Natural Products
Authors: Maier Martin E.
Published: June 2015

Review: [163 refs.
ChemInform Abstract: Synthesis of 1,2,3,4‐Tetrahydroquinolines Including Angustureine and Congeneric Alkaloids. A Review
Authors: Diaz Munoz Gaspar , Dudley Gregory B.
Published: June 2015

Review: 91 refs.
ChemInform Abstract: Asymmetric Synthesis of Chiral 3,3‐Disubstituted Oxindoles Using Isatin as Starting Material
Authors: Mohammadi Ziarani Ghodsi , Moradi Razieh , Lashgari Negar
Published: June 2015

Review: 137 refs.
ChemInform Abstract: Recent Developments in the Chemistry of Diaminomaleonitrile
Authors: Al‐Azmi Amal
Published: June 2015

Review: 96 refs.
ChemInform Abstract: Tsuji—Trost Type Functionalization of Allylic Substrates with Challenging Leaving Groups: Recent Developments
Authors: Ferraccioli Raffaella , Pignataro Luca
Published: June 2015

Review: 103 refs.
ChemInform Abstract: Lithium—Oxygen Electrochemistry in Non‐Aqueous Solutions
Authors: Sharon Daniel , Hirshberg Daniel , Afri Michal , Garsuch Arnd , Frimer Aryeh A. , Aurbach Doron
Published: June 2015

Review: 102 refs.
ChemInform Abstract: Antileishmanial Drug Discovery: Comprehensive Review of the Last 10 Years
Authors: Sangshetti Jaiprakash N. , Kalam Khan Firoz A. , Kulkarni Abhishek A. , Arote Rohidas , Patil Rajendra H.
Published: June 2015

Review: 259 refs.
ChemInform Abstract: Model Foldamers: Applications and Structures of Stable Macrocyclic Peptides Identified Using in vitro Selection
Authors: Jongkees Seino A. K. , Hipolito Christopher J. , Rogers Joseph M. , Suga Hiroaki
Published: June 2015

Review: 46 refs.
ChemInform Abstract: Review: Physico‐Chemical Modification as a Versatile Strategy for the Biocompatibility Enhancement of Biomaterials
Authors: John A. A. , Subramanian A. P. , Vellayappan M. V. , Balaji A. , Jaganathan S. K. , Mohandas H. , Paramalinggam T. , Supriyanto E. , Yusof M.
Published: June 2015

Review: 131 refs.
ChemInform Abstract: Enzymatic Transformations Involved in the Biosynthesis of Microbial Exo‐Polysaccharides Based on the Assembly of Repeat Units
Authors: Schmid Jochen , Sieber Volker
Published: June 2015

Review: 74 refs.
ChemInform Abstract: A Review of the Design Strategies for Tailored Cathode Catalyst Materials in Rechargeable Li‐O2 Batteries.
Authors: Song Kyeongse , Agyeman Daniel Adjei , Jung Jaepyeong , Jo Mi Ru , Yang Junghoon , Kang Yong‐Mook
Published: June 2015

Review: [49 refs.
ChemInform Abstract: Room Temperature Ionic Liquid‐Based Electrolytes as an Alternative to Carbonate‐Based Electrolytes
Authors: Yim Taeeun , Kwon Mi‐Sook , Mun Junyoung , Lee Kyu Tae
Published: June 2015

Review: [60 refs.
ChemInform Abstract: Carbonaceous Materials and Their Advances as a Counter Electrode in Dye‐Sensitized Solar Cells: Challenges and Prospects
Authors: Kouhnavard Mojgan , Ludin Norasikin Ahmad , Ghaffari Babak V. , Sopian Kamarozzaman , Ikeda Shoichiro
Published: June 2015

Review: [122 refs.
ChemInform Abstract: Heterogeneous Fenton Catalysts for the Abatement of Organic Pollutants from Aqueous Solution: A Review
Authors: Nidheesh P. V.
Published: June 2015

Review: 250 refs.
ChemInform Abstract: Review of the Factors Relevant to the Design and Operation of an Electrocoagulation System for Wastewater Treatment
Authors: Lee Sin Yin , Gagnon Graham A.
Published: June 2015

Review: 38 refs.
ChemInform Abstract: Kinetics of Nonbranched‐Chain Oxidation Involving 1:2 Adduct Radicals RO.4 and HO.4
Authors: Silaev Michael M.
Published: June 2015

Review: 82 refs.
ChemInform Abstract: Functionalized Solid Electrodes for Electrochemical Biosensing of Purine Nucleobases and Their Analogues: A Review
Authors: Sharma Vimal Kumar , Jelen Frantisek , Trnkova Libuse
Published: June 2015

Review: 201 refs.
Quadratisch, praktisch, natürlich?
Authors: Roth Klaus
Published: June 2015

Die Stiftung Warentest testete 2013 Nuss‐Schokoladen und konnte in Ritter‐Sports “Voll‐Nuss” den Aromastoff Piperonal nachweisen. Die Stiftung Warentest behauptete, dass dieses Piperonal nicht “natürlichen” Ursprungs sein könne und die Zutatenangabe “natürliches Aroma” die Verbraucher getäuscht hätte. Ritter‐Sport wies diese Anschuldigungen als haltlos zurück und ging vor Gericht. Im Laufe des Verfahrens garantierte der Aromalieferant Symrise, dass das Piperonal entsprechend der Europäischen Aromaverordnung hergestellt wurde. Ritter‐Sport hatte die “Deutsche Schokoladen‐Schlacht” gewonnen.

Obwohl im Prozess der Herstellungsprozess nur vertraulich behandelt wurde, deuten Hinweise in der wissenschaftlichen und Patent‐Literatur daraufhin, dass “natürliches” Piperonal sehr wohl im Einklang mit der Europäischen Aromenordnung industriell hergestellt werden kann.
Kartoffelkäfer mit RNA‐Interferenz stoppen
Authors: Feil Sylvia
Published: June 2015

Kartoffelkäfer fressen das Blattwerk von Nachtschattengewächsen wie Kartoffeln, Tomaten oder Tabak und können so einen völligen Ernteausfall herbeiführen. Gegen chemische Insektizide entwickelten sie Resistenzen, weshalb nach neuen Strategien gesucht wird, um sie zu bekämpfen. Getestet wurde nun, ob RNA‐Interferenzen genutzt werden können. Mit der gentechnischen Veränderung der Chloroplasten könnte dies gelingen [1].
CO2‐oil saturation pressure and onset asphaltene precipitation
Authors: da Rocha Oliveira Victor Rodrigues , da Silva Noemi Araújo Esquivel , Souza Marcos Miranda Silva , Vieira de Melo Silvio Alexandre Beisl , Costa Gloria Meyberg Nunes
Published: June 2015

Partial miscible flooding using CO2 injection has been shown to be a promising method for enhanced oil recovery, but this injection could result in asphaltene precipitation, which clogs the reservoir and production equipment. Therefore, an important parameter to be monitored is the onset of asphaltene precipitation. The efficient displacement of oil by CO2 depends on a variety of factors, including phase behaviour of CO2/crude‐oil mixtures that requires an accurate description of the CO2‐oil mixture bubble pressure. Observing bubble pressure behaviour, it is possible to exactly determine the CO2 molar fraction for onset asphaltene precipitation, which is expected to occur when the selected injection pressure is equal to the bubble pressure at the same CO2 molar fraction. However, assessment of oil characterization relating CO2‐oil mixture bubble pressure and onset asphaltene precipitation has not been found in the literature and should be properly addressed. In this work, we employed the Soave‐Redlich‐Kwong equation of state and used CO2‐oil mixture bubble pressure experimental data from literature to show that the accuracy of onset asphaltene precipitation is quite affected by the binary interaction parameter between methane and C7+ fractions, and the density of this heavy fraction.
Numerical simulation of multiple polysilicon CVD reactors connected in series using CFD method
Authors: Huang Zheqing , Qie Siyuan , Quan Xiaoyu , Guo Kai , Liu Chunjiang
Published: June 2015

This study proposes a novel process in which multiple polysilicon chemical vapour deposition (CVD) reactors are connected in series, and this setup is investigated using computational fluid dynamics (CFD). A three‐dimensional CFD theoretical model is proposed to describe the various transport phenomena in the reactor, and this model is validated by comparing the reactor outlet temperatures of the simulation results and the data obtained using an industrial polysilicon CVD reactor. This model was then used for analyzing the production cost and growth rate of the traditional and proposed CVD processes. The simulation results show that the polysilicon production cost in the traditional and proposed processes is lowest for 0.091 mol/mol (9.1 mol %); the maximum deposition rate is achieved for 0.25 mol/mol (25 mol%). On the other hand, if the operation pressure increases from 101 to 607 kPa, the average production cost can be reduced from 86.26 to 39.88 $/kg; and the average growth rate can be raised from 1.68 to 4.18 µm · min−1. In addition, compared with the 1‐reactor process, the cost of the 2‐reactor process is 21.9 % lower, and the 3‐reactor process is 26.9 % lower. Finally, in the novel process, changing the chlorine hydride of the feed in the reactor 2 from 0.1 g/g (10 wt%) to 0.02 g/g (2 wt%), the average production cost can be reduced by 35.5 %.
Abridged republication of FIGO's staging classification for cancer of the ovary, fallopian tube, and peritoneum
Authors: Prat Jaime ,   for the FIGO Committee on Gynecologic Oncology
Published: June 2015

Ovarian, fallopian tube, and peritoneal cancers have a similar clinical presentation and are treated similarly, and current evidence supports staging all 3 cancers in a single system. The primary site (i.e. ovary, fallopian tube, or peritoneum) should be designated where possible. The histologic type should be recorded. Intraoperative rupture (“surgical spill”) is IC1; capsule ruptured before surgery or tumor on ovarian or fallopian tube surface is IC2; and positive peritoneal cytology with or without rupture is IC3. The new staging includes a revision of stage III patients; assignment to stage IIIA1 is based on spread to the retroperitoneal lymph nodes without intraperitoneal dissemination. Extension of tumor from omentum to spleen or liver (stage IIIC) should be differentiated from isolated parenchymal metastases (stage IVB). Cancer 2015;121:3435–43. © 2015 American Cancer Society.
Expression and cellular localization of the voltage‐gated calcium channel α2δ3 in the rodent retina
Authors: Pérez de Sevilla Müller Luis , Sargoy Allison , Fernández‐Sánchez Laura , Rodriguez Allen , Liu Janelle , Cuenca Nicolás , Brecha Nicholas
Published: June 2015

High‐voltage‐activated calcium channels are hetero‐oligomeric protein complexes that mediate multiple cellular processes, including the influx of extracellular Ca2+, neurotransmitter release, gene transcription, and synaptic plasticity. These channels consist of a primary α1 pore‐forming subunit, which is associated with an extracellular α2δ subunit and an intracellular β auxiliary subunit, which alter the gating properties and trafficking of the calcium channel. The cellular localization of the α2δ3 subunit in the mouse and rat retina is unknown. In this study using RT‐PCR, a single band at ∼305 bp corresponding to the predicted size of the α2δ3 subunit fragment was found in mouse and rat retina and brain homogenates. Western blotting of rodent retina and brain homogenates showed a single 123‐kDa band. Immunohistochemistry with an affinity‐purified antibody to the α2δ3 subunit revealed immunoreactive cell bodies in the ganglion cell layer and inner nuclear layer and immunoreactive processes in the inner plexiform layer and the outer plexiform layer. α2δ3 immunoreactivity was localized to multiple cell types, including ganglion, amacrine, and bipolar cells and photoreceptors, but not horizontal cells. The expression of the α2δ3 calcium channel subunit to multiple cell types suggests that this subunit participates widely in Ca‐channel‐mediated signaling in the retina. J. Comp. Neurol. 523:1443–1460, 2015. © 2015 Wiley Periodicals, Inc.
Oseltamivir for the treatment of H1N1 influenza during pregnancy
Authors: Beigi RH , Pillai VC , Venkataramanan R , Caritis SN
Published: June 2015

Pregnancy heightens the risk of adverse outcomes from influenza infections. This is true for both seasonal epidemics as well as occasional pandemics. Seasonal influenza vaccines are the focus of disease prevention and are recommended for all pregnant women in any trimester of pregnancy and postpartum. Oseltamivir (Tamiflu) is currently the recommended and most commonly used pharmaceutical agent for influenza prophylaxis and treatment. Oseltamivir has been demonstrated to prevent disease after exposure, treat infected individuals, as well as lessen the likelihood of complications. The physiologic adaptations of pregnancy alter the pharmacokinetics of this important drug. Evidence of these alterations, knowledge gaps, and future investigative directions to fill these knowledge gaps are highlighted.
Synthesis of tin disulfide single crystals for nano‐layer exfoliation
Authors: Bialoglowski Maciej , Jastrzebski Cezariusz , Podsiadlo Slawomir , Jastrzebski Daniel J. , Gajda Roman , Gebicki Wojciech , Wrzosek Patrycja A. , Wozniak Krzysztof
Published: June 2015

Efficient and inexpensive method of chemical transport based on Ag2S catalyst was used to produce relatively large crystals of SnS2, up to 5 mm in linear size. Good quality of the obtained layered crystals of SnS2 was confirmed by X‐ray, SEM, EDX and Raman measurements, however the layers appeared to be slightly twisted in relation to each other. Nanometric (down to c.a. 10 nm) layers of SnS2 on a Si substrate were obtained by mechanical exfoliation.
Formation and thermal decomposition of oxynitride germanium compounds
Authors: Bialoglowski Maciej , Jastrzebski Daniel , Wrzecionek Michal , Brzuska Dorota , Matyszczak Grzegorz , Podsiadlo Slawomir
Published: June 2015

The formation of a previously unknown salt with the stoichiometry Li5GeNO3 was found during studies on the reactivity of lithium metagermanate with lithium nitride, germanium oxynitride, and LiGeNO and Li3GeNO2 with lithium oxide. The possibility of existence of anion GeNO35− with mixed oxygen‐nitrogen coordination shell of germanium had been predicted on the basis of analogies occurring among known silicon and germanium compounds. The course of thermal decomposition of the new salt was determined.
Review new OCR guidance reinforcing key role of Title IX coordinators
Authors: O'Brien Timothy
Published: June 2015

The most egregious Title IX violations seem to occur at colleges and universities that fail to designate a Title IX coordinator or neglect to provide the appropriate level of authority to the person serving in that position.
Effects of Kramecyne on LPS Induced Chronic Inflammation and Gastric Ulcers
Authors: Alonso‐Castro Angel Josabad , Pérez‐Ramos Julia , Sánchez‐Mendoza Ernesto , Pérez‐González Cuauhtemoc , Pérez‐Gutiérrez Salud
Published: June 2015

Preclinical Research

Krameria cytisoides is used for the treatment of inflammation, stomach pain, and gastric ulcers. The active ingredient from this plant is a peroxide, kramecyne (KACY) which has anti‐inflammatory effects. The aim of the present study was to evaluate the anti‐inflammatory activities of KACY in lipopolysaccharide (LPS)‐induced systemic chronic inflammation in mice for 60 days, using dexamethasone (DEX) as the positive control, vehicle (the LPS group) as the negative control and the control group (mice without inflammation). KACY did not affect survival, body weight or relative organ weight in mice but it: decreased nitric oxide (NO) production by 68%; prostaglandin E2 (PGE2) by 67%; increased release of anti‐inflammatory cytokine IL‐10 (2.0‐fold), and reduced production of the proinflammatory cytokines, IL‐6 (2.0‐fold), IL‐1β (2.4‐fold), and TNF‐α (2.0‐fold). Furthermore, the gastroprotective effects of KACY in mice were evaluated in an ethanol‐induced gastric ulcer model. The results showed that KACY at 50 and 100 mg/kg exerted gastroprotective effects with similar activity to 50 mg/kg ranitidine. In gastric tissues, KACY decreased the level of malondialdehyde (MDA) but increased the catalase (CAT) activity. KACY have potential for the treatment of chronic inflammatory diseases due its similar activity to that of DEX. It also has gastroprotective effects. Drug Dev Res 76 : 185–193, 2015. © 2015 Wiley Periodicals, Inc.
Improving the ability of 3‐PG to model the water balance of forest plantations in contrasting environments
Authors: Almeida Auro C. , Sands Peter J.
Published: June 2015

Because water availability is a primary factor that influences growth of forest plantations, quantifying plantation water use is an important part of the decision‐making process when selecting new plantation areas. The 3‐PG model (Landsberg and Waring, Forest Ecology and Management 95: 209–228, 1997) has been used successfully to model forest growth for several species. However, some studies have demonstrated limitations in 3‐PG's ability to accurately model the soil and plant water balance. This paper addresses these limitations through the development and validation of a modified water balance submodel that models canopy interception, soil evaporation, tree transpiration, drainage, run‐off, soil water content and available soil water in the root and non‐root zone. The new submodel was tested and validated using detailed, long‐term observed growth and water balance data from contrasting environments in Australia and Brazil and showed improved estimation of available soil water, even when only monthly weather data were available. However, the new submodel requires more soil texture‐dependent parameters than the original submodel. Sensitivity analysis of these new parameters shows that values of soil field capacity, wilting point and soil depth may have strong impacts on the prediction of run‐off, soil water content and available soil water. Copyright © 2015 John Wiley & Sons, Ltd.
A Range of Nitrato Coordination Modes in NiIIComplexes with the Versatile Ligand 1,8‐Bis(2‐pyridyl)‐3,6‐dithiaoctane: Structural, Spectroscopic, Electrochemical, and Theoretical Studies
Authors: Ramírez‐Delgado Vanessa , Hernández‐Ayala Luis Felipe , García‐Ramos Juan Carlos , Flores‐Alamo Marcos , Galindo‐Murillo Rodrigo , Ruiz‐Azuara Lena , Ortiz‐Frade Luis
Published: June 2015

We have synthesized a series of NiII‐pdto complexes – [Ni(pdto)(NO3)]NO3·H2O (C1), [Ni(pdto)(H2O)2](NO3)2(C2), and [Ni(pdto)(NO3)(H2O)]NO3(C3), with pdto = 1,8‐bis(2‐pyridyl)‐3,6‐dithiaoctane – with different spectroscopic responses associated with the coordination modes of the nitrato moiety. Through UV/Vis spectroscopy and electrochemical experiments it was established that in acetonitrile solution the compoundsC1,C2, andC3are each transformed into the same chemical species [Ni(pdto)NO3]+. Cyclic voltammetry experiments gave evidence of two consecutive one‐electron transfers associated with NiII‐(pdto) + 1 e– → NiI‐(pdto) and NiI‐(pdto) + 1 e– → Ni0+ pdto processes, which are in agreement with the high flexibility of the pdto ligand with regard to accommodating the preferred geometry of the central atom. The complexation reaction between pdto and the starting salt Ni(NO)3·6 H2O in acetonitrile was also studied by UV/Vis spectroscopy and cyclic voltammetry. A linear relationship between the experimentally determined value of 10 Dq and the Δ(EHOMO–LUMO) energy values obtained by computational methods was found.
Azadipyrromethene‐Based Near‐Infrared Dyes: Effect of Thienylethynyl Substitution at the Distal and Proximal Phenyl Groups
Authors: Daddario Cassie M. , Han Qi , Zeller Matthias , Sauvé Geneviève
Published: June 2015

Azadipyrromethene (ADP) ligands substituted with thienylethynyl substituents either at the distal phenyl groups H(CD1) or the proximal phenyl groups H(CD2) were synthesized and characterized. The thienyl groups have a hexyl group at the third position to improve solubility in organic solvents and prevent homocoupling of the ethynylthiophene reactants. To further tune the opto‐electronic properties, the substituted ADPs were coordinated with BF2+ and ZnII. Absorption spectroscopy shows that the thienylethynyl substitutions redshift the absorption spectra of the dyes, with a larger shift when the substituents are added on the proximal phenyl groups. Cyclic voltammetry experiments show that the substitutions stabilize the anion and dianion. The reduction potentials for the modified ligands (or zinc chelates) were not affected by the placement of the thienylethynyl groups. Preliminary studies of blends of the new molecules with poly(3‐hexylthiophene) (P3HT) suggest that the zinc(II) chelates have potential as electron acceptors for organic solar cells.