bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: An Alternative Route to Pentavalent Postperovskite.
Authors: Crichton Wilson A. , Yusenko Kirill V. , Riva Sephira , Mazzali Francesco , Margadonna Serena 
Published: August 2016

AbstractHot pressing of 1:2 molar mixtures of Na2O2 and OsO2 below and above 800 °C (Pt capsules in multianvil press, 4 GPa, 1 h) result in a sample S1 (<800 °C) which consists of a mixed‐valence mixture of KSbO3‐like NaOsO3 and hexagonal Na2OsO4 and another sample S2 (<800 °C) which contains single crystals of perovskite NaOsO3, minor (5%) OsO2 and Os metal.
ChemInform Abstract: An Enantioselective Oxidative C—H/C—H Cross‐Coupling Reaction: Highly Efficient Method to Prepare Planar Chiral Ferrocenes.
Authors: Gao De‐Wei , Gu Qing , You Shu‐Li 
Published: August 2016

AbstractThe asymmetric oxidative cross‐coupling reaction between ferrocenes and heteroarenes takes place via a twofold C—H bond activation pathway with high regio‐ and enantioselectivity.
ChemInform Abstract: Organocatalytic Enantioselective Intramolecular Oxa‐Michael Reaction of Enols: Synthesis of Chiral Isochromenes.
Authors: Parhi Biswajit , Gurjar Jitendra , Pramanik Suman , Midya Abhisek , Ghorai Prasanta 
Published: August 2016

AbstractAn enantioselective intramolecular oxa‐Michael reaction of enols catalyzed by a squaramide‐containing tertiary amine based bifunctional organocatalyst, which efficiently activates the o‐homoformyl chalcones, provides chiral isochromenes in moderate yields and good to excellent enantioselectivities.
ChemInform Abstract: Tandem Rh‐Catalysis: Decarboxylative β‐Keto Acid and Alkyne Cross‐Coupling.
Authors: Cruz Faben A. , Chen Zhiwei , Kurtoic Sarah I. , Dong Vy M. 
Published: August 2016

AbstractA regioselective Rh‐catalyzed decarboxylative cross‐coupling of β‐keto acids and alkynes to access branched γ,δ‐unsaturated ketones is presented.
ChemInform Abstract: A Ruthenium/Phosphoramidite‐Catalyzed Asymmetric Interrupted Metallo‐Ene Reaction.
Authors: Trost Barry M. , Ryan Michael C. 
Published: August 2016

AbstractAllylic chlorides are converted to trans‐disubstituted 5‐ and 6‐membered ring systems with perfect diastereoselectivity (<90% d.e.) and high enantioselectivity under chiral ruthenium catalysis.
ChemInform Abstract: Cu(I)‐ or Ag(I)‐Catalyzed Regio‐ and Stereocontrolled trans‐Hydrofluorination of Ynamides.
Authors: He Guangke , Qiu Shineng , Huang Hai , Zhu Guohao , Zhang Dongming , Zhang Rong , Zhu Hongjun 
Published: August 2016

AbstractCopper(I)‐ or silver(I)‐catalyzed trans‐hydrofluorination of ynamides is achieved for the first time.
ChemInform Abstract: Visible‐Light‐Initiated Difluoromethylation of Arene Diazonium Tetrafluoroborates.
Authors: Wu Ye‐bin , Lu Guo‐ping , Zhou Bao‐jing , Bu Mei‐jie , Wan Li , Cai Chun 
Published: August 2016

AbstractThe photoreaction of arene diazonium salts (I) with silyl enol ethers (II) gives rise to desired α‐aryl‐β,β‐difluoroketones (III), which are converted into difluoromethylarenes (IV) by cleavage of the benzoyl group with KOH.
ChemInform Abstract: Solvent‐Free Buchwald—Hartwig (Hetero)arylation of Anilines, Diarylamines, and Dialkylamines Mediated by Expanded‐Ring N‐Heterocyclic Carbene Palladium Complexes.
Authors: Topchiy Maxim A. , Dzhevakov Pavel B. , Rubina Margarita S. , Morozov Oleg S. , Asachenko Andrey F. , Nechaev Mikhail S. 
Published: August 2016

AbstractThe title arylation of amines with aryl bromides allows the synthesis of a wide range of secondary and tertiary aryl amines in high yields.
ChemInform Abstract: One‐Pot Two‐Step Multicomponent Process of Indole and Other Nitrogenous Heterocycles or Amines Toward α‐Oxo‐acetamidines.
Authors: Martinez‐Ariza Guillermo , McConnell Nicholas , Hulme Christopher 
Published: August 2016

AbstractThis three‐component tandem reaction proceeds via N‐1 addition of a heterocycle or an amine to preformed α‐iminoketones, followed by an oxygen‐mediated oxidation to form α‐oxo‐acetamidines.
ChemInform Abstract: anti‐Selective Asymmetric Henry Reaction Catalyzed by a Heterobimetallic Cu—Sm—Aminophenol Sulfonamide Complex.
Authors: Li Yang , Deng Ping , Zeng Youmao , Xiong Yan , Zhou Hui 
Published: August 2016

AbstractThe title reaction between aryl, hetaryl, or alkenyl aldehydes and nitromethane or nitroethane proceeds with very high anti‐selectivity and very high enantioselectivity.
ChemInform Abstract: Conversion of 3,3,3‐Trisubstituted Prop‐1‐ynes with tert‐Butylhydrazine into 3,3,3‐Trisubstituted Propionitriles Catalyzed by TpRh(C2H4)2/P(2‐furyl)3.
Authors: Fukumoto Yoshiya , Tamura Yuto , Iyori Yasuaki , Chatani Naoto 
Published: August 2016

AbstractThe developed method offers an alternative access to β‐cyanohydrins and β‐amino nitriles from 1,1‐disubstituted propargyl alcohols and amines, respectively.
ChemInform Abstract: Palladium‐Catalyzed Synthesis of Allylic Ureas via an Isocyanate Intermediate.
Authors: Jay Lucien P. , Barker Timothy J. 
Published: August 2016

AbstractA facile one‐pot protocol is presented for the formation of allylic ureas via sequential reaction of allylic carbonates with isocyanate (II) and various amines.
ChemInform Abstract: Catalytic Hypervalent Iodine Promoters Lead to Styrene Dimerization and the Formation of Tri‐ and Tetrasubstituted Cyclobutanes.
Authors: Colomer Ignacio , Coura Barcelos Rosimeire , Donohoe Timothy J. 
Published: August 2016

AbstractSymmetrical and unsymmetrical cyclobutanes are synthesized following an intermolecular homo or heterodimerization of various styrene derivatives.
ChemInform Abstract: Nickel‐Catalyzed Regioselective Cleavage of C(sp2)—S Bonds: Method for the Synthesis of Tri‐ and Tetrasubstituted Alkenes.
Authors: Chen Jinyang , Chen Sihai , Xu Xinhua , Tang Zhi , Au Chak‐Tong , Qiu Renhua 
Published: August 2016

AbstractAn efficient route for the synthesis of (Z)‐vinylic sulfides is presented.
ChemInform Abstract: Pharmaceutical‐Oriented Selective Synthesis of Mononitriles and Dinitriles Directly from Methyl(hetero)arenes: Access to Chiral Nitriles and Citalopram.
Authors: Liu Jie , Zheng Hong‐Xing , Yao Chuan‐Zhi , Sun Bing‐Feng , Kang Yan‐Biao 
Published: August 2016

AbstractThe transition metal‐free one‐step transformation is applicable to a diverse range of methylarenes and methylhetarenes.
ChemInform Abstract: Synthesis of Novel Polycyano‐Containing Organic Ligands via Double Carbanion Cleavage of 1′,3′‐Dioxo‐1′,3′‐dihydrospiro[cyclopropane‐1,2′‐indene] Derivatives.
Authors: Karpov S. V. , Kaukov Ya. S. , Grigor'ev A. A. , Nasakin O. E. , Kaukova O. V. , Tafeenko V. A. 
Published: August 2016

AbstractThe title substrates react with alcohols to form stable polycyano groups‐containing salts with a new allylic anion moiety.
ChemInform Abstract: Metal‐Free Direct Dehydroxytrifluoromethylthiolation of Alcohols via the Umpolung Reactivity of Trifluoromethanesulfenamides.
Authors: Glenadel Quentin , Tlili Anis , Billard Thierry 
Published: August 2016

AbstractThe synthetically important fluorine‐containing target compounds are readily available via a direct OH—S‐CF3 exchange with BB23 (II) under mild conditions.
ChemInform Abstract: L‐Proline Derived Bifunctional Organocatalysts: Enantioselective Michael Addition of Dithiomalonates to trans‐β‐Nitroolefins.
Authors: Jin Hui , Kim Seung Tae , Hwang Geum‐Sook , Ryu Do Hyun 
Published: August 2016

AbstractThe preparation of the catalysts is described as well as their highly effective use in the title reaction of aryl or alkyldithiomalonates with β‐aryl or alkyl substituted nitroolefins.
ChemInform Abstract: Exploiting a Difference in Leaving Group Ability: An Approach to β‐Substituted Monofluoroalkenes Using gem‐Chlorofluoropropenes.
Authors: Hamel Jean‐Denys , Cloutier Melissa , Paquin Jean‐Francois 
Published: August 2016

AbstractThis strategy relies on the superior leaving group ability of chlorine over fluorine bonded to the same carbon atom.
ChemInform Abstract: A Platform of Regioselective Methodologies to Access Polysubstituted 2‐Methyl‐1,4‐naphthoquinone Derivatives: Scope and Limitations.
Authors: Rodo Elena Cesar , Feng Liwen , Jida Mouhamad , Ehrhardt Katharina , Bielitza Max , Boilevin Jeremy , Lanzer Michael , Williams David Lee , Lanfranchi Don Antoine , Davioud‐Charvet Elisabeth 
Published: August 2016

AbstractA library of title compounds is envisaged where the derivatives are functionalized at the aromatic part of the naphthoquinone scaffold.
ChemInform Abstract: Catalytic Diazosulfonylation of Enynals Toward Diazoindenes via Oxidative Radical‐Triggered 5‐exo‐trig Carbocyclizations.
Authors: Hao Wen‐Juan , Du Yan , Wang Dan , Jiang Bo , Gao Qian , Tu Shu‐Jiang , Li Guigen 
Published: August 2016

AbstractThe novel diazosulfonation reaction proceeds via addition of sulfonyl radicals to the enynal triple bond followed by 5‐exo‐trig carbocyclization/H‐abstraction sequence to furnish unprecedented diazoindenyl sulfones.
ChemInform Abstract: Imposed Hydrophobic Interactions by NaCl: Accountable Attribute for the Synthesis of Spiro[acenaphthylene‐1,5′‐pyrrolo[1,2‐c]thiazole] Derivatives via 1,3‐Dipolar Cycloaddition Reaction in Aqueous Medium.
Authors: Dandia Anshu , Parewa Vijay , Kumari Sukhbeer , Bansal Sarika , Sharma Amit 
Published: August 2016

AbstractTitle compounds are synthesized via 1,3‐dipolar cycloaddition reaction of Knoevenagel adducts (I), 1,3‐thiazole‐4‐carboxylic acid (II) and acenaphthenequinone (III) in water and in the presence of sodium chloride.
ChemInform Abstract: Iridium‐Catalyzed Asymmetric [3 + 2] Annulation of Aromatic Ketimines with Alkynes via C—H Activation: Unexpected Inversion of the Enantioselectivity Induced by Protic Acids.
Authors: Nagamoto Midori , Yamauchi Daisuke , Nishimura Takahiro 
Published: August 2016

AbstractA cationic iridium/binap catalyst enables the asymmetric [3 + 2] annulation of cyclic N‐acyl ketimines with internal alkynes via C—H activation to give spiroaminoindene derivatives with high enantioselectivity.
ChemInform Abstract: A Concise One‐Pot Organo‐ and Biocatalyzed Preparation of Enantiopure Hexahydrofuro[2,3‐b]furan‐3‐ol: An Approach to the Synthesis of HIV Protease Inhibitors.
Authors: Kanemitsu Takuya , Inoue Mizuho , Yoshimura Nono , Yoneyama Kazutoshi , Watarai Rie , Miyazaki Michiko , Odanaka Yuki , Nagata Kazuhiro , Itoh Takashi 
Published: August 2016

AbstractThe one‐pot synthesis of the title species (IV) involves condensation of dihydrofuran with glycolaldehyde dimer (II) followed by lipase‐catalyzed kinetic resolution.
ChemInform Abstract: 2‐(Trifluoromethyl)indoles via Pd(0)‐Catalyzed C(sp3)—H Functionalization of Trifluoroacetimidoyl Chlorides.
Authors: Pedroni Julia , Cramer Nicolai 
Published: August 2016

AbstractThis complementary approach to trifluoromethylated indoles avoids the utilization of expensive electrophilic trifluoromethylating reagents.
ChemInform Abstract: Synthesis of Novel Tetrahydroindeno[1,2‐b]pyrrolidines via Ugi Multicomponent and Palladium‐Catalyzed Aerobic Oxidative Cyclization.
Authors: Ibarra‐Rivera Tannya R. , Renteria‐Gomez Manuel Alejandro , Nieto‐Sepulveda Eduardo , Gamez‐Montano Rocio , Rivas Galindo Veronica M. , Hernandez‐Fernandez Eugenio 
Published: August 2016

AbstractTitle compounds (VI) are conveniently synthesized in two steps via a multicomponent reaction affording Ugi products (V) followed by Pd‐catalyzed aerobic oxidative cyclization.
ChemInform Abstract: An Unprecedented Benzannulation of Oxindoles with Enalcarbenoids: A Regioselective Approach to Functionalized Carbazoles.
Authors: Rathore Kuldeep Singh , Lad Bapurao Sudam , Chennamsetti Haribabu , Katukojvala Sreenivas 
Published: August 2016

AbstractThe novel Rh(II)/Broensted acid catalyzed tandem benzannulation of oxindoles with enaldiazo carbonyls results in the formation of valuable 1‐hydroxy‐2‐acylcarbazoles.
ChemInform Abstract: An Updated Synthesis of the Diazo‐Transfer Reagent Imidazole‐1‐sulfonyl Azide Hydrogen Sulfate.
Authors: Potter Garrett T. , Jayson Gordon C. , Miller Gavin J. , Gardiner John M. 
Published: August 2016

AbstractA detailed process for the synthesis of the title compounds is developed avoiding the formation of potentially explosive intermediates.
ChemInform Abstract: Enantioselective Organocatalytic Michael Addition of Isorhodanines to α,β‐Unsaturated Aldehydes.
Authors: Wang Wei , et al.  
Published: August 2016

AbstractVarious isorhodanine derivatives react with 3‐aryl or 3‐alkyl substituted acryl aldehydes to form 4,5‐disubstituted isorhodanine adducts in high yields.
ChemInform Abstract: Palladium(II) Oxide Impregnated on Magnetite as a Catalyst for the Synthesis of 4‐Arylcoumarins via a Heck‐Arylation/Cyclization Process.
Authors: Perez Juana M. , Cano Rafael , McGlacken Gerard P. , Ramon Diego J. 
Published: August 2016

AbstractHeck‐arylation/cyclization is achieved using heterogeneous palladium(II) oxide impregnated on magnetite catalyst (2.5 mol%) with a lower catalyst loading than that reported for similar processes.
ChemInform Abstract: Synthesis of Cyclohexane‐Fused Isocoumarins via Cationic Palladium(II)‐Catalyzed Cascade Cyclization Reaction of Alkyne‐Tethered Carbonyl Compounds Initiated by Intramolecular Oxypalladation of Ester‐Substituted Aryl Alkynes.
Authors: Zhang Jianbo , Han Xiuling , Lu Xiyan 
Published: August 2016

AbstractA highly efficient method for the synthesis of cyclohexane‐fused isocoumarins (II) (13 examples) is developed.
ChemInform Abstract: Convenient and Efficient Method for Synthesis of 2,4,6‐Triarylpyridines Using Catalytic Amount of PEG1000‐Based Dicationic Acidic Ionic Liquid under Solvent‐Free Conditions.
Authors: Ren Yi‐Ming , Zhang Ze , Jin Shuo 
Published: August 2016

AbstractTitle compounds are conveniently and efficiently synthesized by the reaction of chalcones (I) and ammonium acetate or via one‐pot three‐component condensation of aromatic aldehydes with acetophenones (IV) and ammonium acetate.
ChemInform Abstract: Copper(II)‐Catalyzed Remote Sulfonylation of Aminoquinolines with Sodium Sulfinates via Radical Coupling.
Authors: Xia Chengcai , Wang Kai , Xu Jun , Wei Zhenjiang , Shen Chao , Duan Guiyun , Zhu Qing , Zhang Pengfei 
Published: August 2016

AbstractThe efficient sulfonylation of N‐(quinolin‐8‐yl)benzamide derivatives occurs at the C5 position generating environmentally benign byproducts by utilizing stable and safe sodium sulfinates as sulfide sources.
ChemInform Abstract: tert‐Butyl Nitrite Mediated Azo Coupling Between Anilines and Imidazoheterocycles.
Authors: Chakraborty Amrita , Jana Sourav , Kibriya Golam , Dey Amrita , Hajra Alakananda 
Published: August 2016

AbstractAzo imidazoheterocycles are prepared with broad substrate scope by the title coupling in good yields.
ChemInform Abstract: Copper‐Catalyzed Aerobic Oxidative Decarboxylative Amination of Arylacetic Acids: A Facile Access to 2‐Arylquinazolines
Authors: Yan Yizhe , Shi Miaomiao , Niu Bin , Meng Xiangping , Zhu Changrui , Liu Gengyao , Chen Ting , Liu Yanqi 
Published: August 2016

Abstract30 examples
ChemInform Abstract: An Efficient and Convenient Protocol for the Synthesis of Tetracyclic Isoindolo[1,2‐a]quinazoline Derivatives.
Authors: Madhubabu M. V. , Shankar R. , More Satish. S. , Basaveswara Rao Mandava V. , Kumar U. K. Syam , Raghunadh A. 
Published: August 2016

AbstractTitle compounds are efficiently synthesized via Lewis acid mediated sequential C—N bond formation reactions.
ChemInform Abstract: Three‐Component Bicyclization Leading to Densely Functionalized Pyrazolo[3,4‐d]thiazolo[3,2‐a]pyrimidines.
Authors: Hao Wen‐Juan , Zhou Peng , Wu Fei‐Yue , Jiang Bo , Tu Shu‐Jiang , Li Guigen 
Published: August 2016

AbstractUnder the optimized conditions, the reaction initiates continuous multiple bond‐forming processes which afford the desired heterocyclic scaffold, which is of biological interest, with good to excellent yields (19 examples).
ChemInform Abstract: I2‐Catalyzed Multicomponent Reactions for Accessing Densely Functionalized Pyrazolo[1,5‐a]pyrimidines and Their Disulphenylated Derivatives.
Authors: Sun Jun , Qiu Jiang‐Kai , Jiang Bo , Hao Wen‐Juan , Guo Cheng , Tu Shu‐Jiang 
Published: August 2016

AbstractThe new three‐component bicyclization of aryl substituted β‐ketonitriles with aryl sulphonyl hydrazides provides diversely functionalized pyrazolo[1,5‐a]pyrimidin‐4‐ium sulfonates which are further transformed into pyrazolo[1,5‐a]pyrimidins.
ChemInform Abstract: Base‐Promoted Ring Expansion of 3‐Aminopyrimidine‐2‐thiones into 1,2,4‐Triazepine‐3‐thiones.
Authors: Fesenko Anastasia A. , Shutalev Anatoly D. 
Published: August 2016

AbstractThe reaction of β‐isothiocyanato carbonyl compounds with hydrazine provides 3‐aminopyrimidine‐2‐thione diastereomers along with acyclic isomers, and the former are submitted to a base‐promoted cyclization to form 1,2,4‐triazepine‐3‐thiones.
ChemInform Abstract: Boron‐Catalyzed Aromatic C—H Bond Silylation with Hydrosilanes.
Authors: Ma Yuanhong , Wang Baoli , Zhang Liang , Hou Zhaomin 
Published: August 2016

AbstractA wide range of N,N‐disubstituted anilines is highly regioselectively silylated with various hydrosilanes under metal‐free, neutral reaction conditions using commercially available B(C6F5)3 as catalyst.
ChemInform Abstract: Stereoselective Cyclopropanation as a Way to 1‐Aminocyclopropane‐1‐phosphonic Acids: Rationale for Phosphoryl Group Migration.
Authors: Midura Wanda H. , Cypryk Marek , Rzewnicka Aneta , Krysiak Jerzy A. , Sieron Leslaw 
Published: August 2016

AbstractAsymmetric cyclopropanation of vinyl phoshonates such as (I), (V), and (VII) with the methylide (II) affords isomeric products whose methylation (with retention or inversion) leads to intermediates of rigid aminophosphonic acids.
ChemInform Abstract: Solvent‐Dependent Facile Synthesis of Diaryl Selenides and Biphenols Employing Selenium Dioxide.
Authors: Quell Thomas , Mirion Michael , Schollmeyer Dieter , Dyballa Katrin M. , Franke Robert , Waldvogel Siegfried R. 
Published: August 2016

AbstractThe reaction of phenols (I) with selenium dioxide in pyridine leads to diaryl selenides (IIa‐d), whilst the reaction in acetic acid gives rise to biphenols (III).
ChemInform Abstract: 13‐Methyl‐3,4‐seco‐ent‐podocarpanes, Rare C18‐Diterpenoids from the Roots of Flueggea virosa.
Authors: Chao Chih‐Hua , Cheng Ju‐Chien , Shen De‐Yang , Huang Hui‐Chi , Wu Yang‐Chang , Wu Tian‐Shung 
Published: August 2016

Abstract[14 compounds]
ChemInform Abstract: Direct Catalytic Chemoselective α‐Amination of Acylpyrazoles: A Concise Route to Unnatural α‐Amino Acid Derivatives.
Authors: Tokumasu Keisuke , Yazaki Ryo , Ohshima Takashi 
Published: August 2016

AbstractAn acylpyrazole is shown to be an efficient enolate precursor allowing this reaction to proceed in the absence of external bases.
ChemInform Abstract: Studies on Pumiliotoxin A Alkaloids: An Approach to Preparing the Indolizidinic Core by Intramolecular Diastereoselective N‐Heterocyclic Carbene Catalyzed Benzoin Reaction.
Authors: Correia Jose Tiago M. , Acconcia Lais V. , Coelho Fernando 
Published: August 2016

AbstractThe optimized conditions allow the approach to the separable diastereomers (II) and (III).
ChemInform Abstract: Polyketides from the Mangrove‐Derived Fungal Endophyte Pestalotiopsis clavispora.
Authors: Perez Hemphill Catalina Francis , Daletos Georgios , Liu Zhen , Lin Wenhan , Proksch Peter 
Published: August 2016

AbstractPestalpolyol I (I), pestapyrones A (IIa) and B (IIb), (R)‐periplanetin D (III), pestaxanthone (IV), and norpestaphthalide A (V) are isolated from Pestalotiopsis clavispora.
ChemInform Abstract: IUPAC‐NIST Solubility Data Series. 100. Rare Earth Metal Fluorides in Water and Aqueous Systems. Part 1. Scandium Group (Sc, Y, La)
Authors: Mioduski Tomasz , Guminski Cezary , Zeng Dewen 
Published: August 2016

AbstractReview: 107 refs.
ChemInform Abstract: Recent Applications in Natural Product Synthesis of Dihydrofuran and ‐pyran Formation by Ring‐Closing Alkene Metathesis
Authors: Jacques Reece , Pal Ritashree , Parker Nicholas A. , Sear Claire E. , Smith Peter W. , Ribaucourt Aubert , Hodgson David M. 
Published: August 2016

AbstractReview: [71 refs.
ChemInform Abstract: The Genus Myrtus L. in Algeria: Composition and Biological Aspects of Essential Oils from M. communis and M. nivellei: A Review
Authors: Bouzabata Amel , Casanova Joseph , Bighelli Ange , Cavaleiro Carlos , Salgueiro Ligia , Tomi Felix 
Published: August 2016

AbstractReview: 75 refs.
Extraction and phase behaviour of Moringa oleifera seed oil using compressed propane
Authors: Silva Mariana Oliveira , Camacho Franciele Pereira , Ferreira‐Pinto Leandro , Giufrida Willyan Machado , Vieira Angélica Marquetotti Salcedo , Visentaine Jesuí Vergílio , Vedoy Diógenes R. L. , Cardozo‐Filho Lúcio 
Published: August 2016

AbstractThis study reports the oil extraction efficiency using Moringa oleifera seed and pressurized propane, new experimental data for phase transition of the binary system {n‐propane + Moringa oleifera oil}, and the profile of fatty acid compositions of the extracted Moringa oil. During the present study, the knowledge of the phase behaviour proved to be of great importance to optimize supercritical extraction using pressurized fluid. This project also compares the classical Soxhlet method including mathematical modelling of kinetic curves of extraction. The extraction experiments were performed in the temperature and pressure ranges of 303–333 K and 2.5–12 MPa, respectively, at a constant flow rate of 1.0 cm3/min of n‐propane. All the conditions applied during the n‐propane extraction process provided similar or higher yields (32.8 to 42.1 %) compared to extractions using n‐hexane (42.6 %) and supercritical carbon dioxide (SC‐CO2) (37.8 %). In addition, phase transition study for the {Propane (1) + Moringa oleífera oil (2)} system was performed using a variable volume cell and the static synthetic method in a temperature range of 303–343 K, pressures up to 3.23 MPa, and n‐propane mass fraction between 0.2 and 0.8. Vapour‐liquid (VLE), liquid‐liquid (LLE), and vapour‐liquid‐liquid (VLLE) phase transitions were observed at relatively low pressures. The fatty acid profiles of the extracted Moringa oils were evaluated using gas chromatography. They all have very close composition regardless of the solvent used and oleic acid as the major component (≈76 %). The Sovová mathematical model indicated a good fit for all the conditions investigated.
Thermodynamic Stability and Defect Chemistry of Bismuth‐Based Lead‐Free Double Perovskites
Authors: Xiao Zewen , Meng Weiwei , Wang Jianbo , Yan Yanfa 
Published: August 2016

AbstractBismuth‐ or antimony‐based lead‐free double perovskites represented by Cs2AgBiBr6 have recently been considered promising alternatives to the emerging lead‐based perovskites for solar cell applications. These new perovskites belong to the Fm
m space group and consist of two types of octahedra alternating in a rock‐salt face‐centered cubic structure. We show, by density functional theory calculations, that the stable chemical potential region for pure Cs2AgBiBr6 is narrow. Ag vacancies are a shallow accepters and can easily form, leading to intrinsic p‐type conductivity. Bi vacancies and AgBi antisites are deep acceptors and should be the dominant defects under the Br‐rich growth conditions. Our results suggest that the growth of Cs2AgBiBr6 under Br‐poor/Bi‐rich conditions is preferred for suppressing the formation of the deep defects, which is beneficial for maximizing the photovoltaic performance.