bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractA 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

AbstractAn 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

AbstractThe 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

AbstractOptimal 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

AbstractThe 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

AbstractThis 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

AbstractThe 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

AbstractOptimum 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

AbstractTitle 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

AbstractFor 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

AbstractA 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

AbstractThe 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

AbstractThis 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

Abstract20 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

AbstractThe 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

AbstractThe 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

AbstractThe 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

AbstractTwo 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

AbstractTitle 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

AbstractAll 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

AbstractThe 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

AbstractThe 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

AbstractN‐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

AbstractThis 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

AbstractA 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

AbstractThe 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

AbstractFor the first time, α‐phosphonovinyl tosylates are efficiently coupled with a range of arylboronic acids to access α‐arylethenylphosphonates.
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

AbstractThe 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

AbstractA 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

AbstractThe 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

Abstractisolation 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

Abstractisolation 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

AbstractGanoboninones 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

AbstractSome 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

Abstract3‐(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

AbstractThe new polychlorinated triphenyl diether, microsphaerol (I) exhibits good antibacterial activities against B.
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

AbstractReview: 102 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

AbstractReview: 131 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

AbstractReview: [49 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

AbstractReview: [122 refs.
Quadratisch, praktisch, natürlich?
Authors: Roth Klaus 
Published: June 2015

AbstractDie 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

AbstractKartoffelkäfer 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].
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

ABSTRACTHigh‐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.
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

ABSTRACT

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

AbstractBecause 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

AbstractWe 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.