bluuebunny/crossref_metadata_2025 huggingface dataset:
Estimating intracranial volume using intracranial area in healthy children and those with childhood status epilepticus
Authors: Piper Rory J. , Yoong Michael M. , Pujar Suresh , Chin Richard F.
Published: August 2014

Background

Correcting volumetric measurements of brain structures for intracranial volume (ICV) is important in comparing volumes across subjects with different ICV. The aim of this study was to investigate whether intracranial area (ICA) reliably predicts actual ICV in a healthy pediatric cohort and in children with convulsive status epilepticus (CSE).

Methods

T1‐weighted volumetric MRI was performed on 20 healthy children (control group), 10 with CSE with structurally normal MRI (CSE/MR‐), and 12 with CSE with structurally abnormal MRI (CSE/MR+). ICA, using a mid‐sagittal slice, and the actual ICV were measured.

Results

A high Spearman correlation was found between the ICA and ICV measurements in the control (r = 0.96; P < 0.0001), CSE/MR− (r = 0.93; P = 0.0003), and CSE/MR+ (r = 0.94; P < 0.0001) groups. On comparison of predicted and actual ICV, there was no significant difference in the CSE/MR− group (P = 0.77). However, the comparison between predicted and actual ICV was significantly different in the CSE/MR+ (P = 0.001) group. Our Bland–Altman plot showed that the ICA method consistently overestimated ICV in children in the CSE/MR+ group, especially in those with small ICV or widespread structural abnormalities.

Conclusions

After further validation, ICA measurement may be a reliable alternative to measuring actual ICV when correcting volume measurements for ICV, even in children with localized MRI abnormalities. Caution should be applied when the method is used in children with small ICV and those with multilobar brain pathology.
Thermophiles as Potential Source of Novel Endotoxin Antagonists: the Full Structure and Bioactivity of theLipo‐oligosaccharide from Thermomonas hydrothermalis
Authors: Di Lorenzo Flaviana , Paciello Ida , Fazio Luigi Lembo , Albuquerque Luciana , Sturiale Luisa , da Costa Milton S. , Lanzetta Rosa , Parrilli Michelangelo , Garozzo Domenico , Bernardini Maria Lina , Silipo Dott. Alba , Molinaro Antonio
Published: August 2014

Thermomonas hydrothermalis is a Gram‐negative thermophilic bacterium that is able to live at 50 °C. This ability is attributed to chemical modifications, involving those to bacterial cell‐wall components, such as proteins and (glyco)lipids. As the main component of the outer membrane of Gram‐negative bacteria, lipopolysaccharides (LPSs) are exposed to the environment, thus they can undergo structural chemical changes to allow thermophilic bacteria to live at their optimal growth temperature. Furthermore, as one of the major target of the eukaryotic innate immune system, LPS elicits host immune response in a structure‐dependent mode; thus the uncommon chemical features of thermophilic bacterial LPSs might exert a different biological action on the innate immune system—an antagonistic effect, as shown in studies of LPS structure–activity relationship in the ongoing research into antagonist LPS candidates. Here, we report the complete structural and biological activity analysis of the lipo‐oligosaccharide isolated from Thermomonas hydrothermalis, achieved by a multidisciplinary approach (chemical analysis, NMR, MALDI MS and cellular immunology). We demonstrate a tricky and interesting structure combined with a very interesting effect on human innate immunity.
High‐Performance, Totally Flexible, Tubular Microbial Fuel Cell
Authors: Taghavi Majid , Greenman John , Beccai Lucia , Mattoli Virgilio , Mazzolai Barbara , Melhuish Chris , Ieropoulos Ioannis Andrea
Published: August 2014

The current study addresses the development of a flexible microbial fuel cell (MFC) in a tubular configuration. Nafion tubing is employed as a one‐compartment MFC and is used as the membrane and the main body of the system. We use an ultra‐flexible carbon sleeve as electrode material for both the anode and cathode; the anode is placed inside the tubular membrane, and the cathode is wrapped on the outside of the membrane. We illustrate how, using both the membrane and the new electrodes, there is increase the power density of the system, which is shown to work successfully with human urine as the fuel. We also show how the covering of the outer surface, that is, the cathode, by means of a waterproof and breathable plaster strip, maintains the high output levels without the need for hydration.
ChemInform Abstract: A Co‐Free Layered LiNi0.7Mn0.3O2 Cathode Material for High‐Energy and Long‐Life Lithium‐Ion Batteries.
Authors: Ko Seunghyun , Lee Soon Chang , Lee Chul Wee , Im Ji Sun
Published: August 2014

The title cathode material is synthesized by co‐precipitation in a continuously stirred tank reactor from aqueous solutions of NiSO4, MnSO4, NaOH, and NH4OH (N2, 50 °C), followed by calcination of the obtained precursor with LiOH·H2O at 860 °C under an O2 atmosphere.
ChemInform Abstract: Surface Treatment for Conductive 12 CaO·7 Al2O3 Electride Powder by Rapid Thermal Annealing Processing and Its Application to Ammonia Synthesis.
Authors: Hayashi Fumitaka , Kitano Masaaki , Yokoyama Toshiharu , Hara Michikazu , Hosono Hideo
Published: August 2014

[Ca24Al28O64] 4+(e‐)4 electride powder with moderate surface area of 9—19 m2/g is synthesized from an 11:14 stoichiometric mixture of Ca(OH)2 and Al(OH)3, which is hydrothermally treated at 150 °C for 5 h.
ChemInform Abstract: Aerobic Synthesis of Biocompatible Copper Nanoparticles: Promising Antibacterial Agent and Catalyst for Nitroaromatic Reduction and C—N Cross Coupling Reaction.
Authors: Venkatakrishnan Showmya , Veerappan Ganapathy , Elamparuthi Elangovan , Veerappan Anbazhagan
Published: August 2014

Copper nanoparticles are synthesized at ambient conditions from aqueous suspensions of CuCl2, pectin as a capping agent, N2H4 as a mild reducing agent, and NH3 solution (open air, 3 h).
ChemInform Abstract: Heteroatom‐Free Arene‐Cobalt and Arene‐Iron Catalysts for Hydrogenations.
Authors: Gaertner Dominik , Welther Alice , Rad Babak Rezaei , Wolf Robert , Jacobi von Wangelin Axel
Published: August 2014

An iron derivative of the Co‐anthracene‐catalyst COA is investigated as well showing comparable to significantly lower catalytic activity.
ChemInform Abstract: Enantioselective N—H Insertion Reaction of α‐Aryl α‐Diazoketones: An Efficient Route to Chiral α‐Aminoketones.
Authors: Xu Bin , Zhu Shou‐Fei , Zuo Xiao‐Dong , Zhang Zhi‐Chao , Zhou Qi‐Lin
Published: August 2014

This is the first asymmetric N—H insertion of α‐diazoketones giving α‐aminoketones in good yields and with high enantioselectivities.
ChemInform Abstract: Zn(II)‐ or Ag(I)‐Catalyzed 1,4‐Metathesis Reactions Between 3‐En‐1‐ynamides and Nitrosoarenes.
Authors: Gawade Sagar Ashok , Huple Deepak B. , Liu Rai‐Shung
Published: August 2014

An unprecedented 1,4‐metathesis reaction giving 2‐propynimidamides and benzaldehydes is discovered.
ChemInform Abstract: Asymmetric Synthesis of Functionalized Cyclohexanes Bearing Five Stereocenters via a One‐Pot Organocatalytic Michael—Michael—1,2‐Addition Sequence.
Authors: Chauhan Pankaj , Urbanietz Gregor , Raabe Gerhard , Enders Dieter
Published: August 2014

A new highly stereoselective one‐pot procedure to synthesize multifunctionalized cyclohexanes is presented which involves an enantioselective Michael addition promoted by low loading of an amino‐squaramide catalyst followed by an achiral base catalyzed domino Michael—Knoevenagel‐type 1,2‐addition sequence.
ChemInform Abstract: Propargylic Cation‐Induced Intermolecular Electrophilic Addition—Semipinacol Rearrangement.
Authors: Shao Hui , Zhang Xiao‐Ming , Wang Shao‐Hua , Zhang Fu‐Min , Tu Yong‐Qiang , Yang Chao
Published: August 2014

A series of β‐propargyl spirocyclic ketones is prepared by treatment of crude Co‐complexed propargylic acetates with a Lewis acid followed by reaction of resulting intermediate propargylic cations with cyclic allylic silyl ethers and a subsequent decomplexation.
ChemInform Abstract: N‐Alkylation of Amines Through Hydrogen Borrowing over a Heterogeneous Cu Catalyst.
Authors: Santoro Federica , Psaro Rinaldo , Ravasio Nicoletta , Zaccheria Federica
Published: August 2014

Clean N‐alkylation of aniline with secondary (I) and benzylic alcohols (IV) to afford secondary amines (III) and (V), resp., is described.
ChemInform Abstract: Direct Asymmetric Aldol Condensation Catalyzed by Aziridine Semicarbazide Zinc(II) Complexes.
Authors: Pieczonka Adam M. , Lesniak Stanislaw , Rachwalski Michal
Published: August 2014

Aldol reactions of acetone with NO2‐substituted benzaldehydes in the presence of an optically active ligand provide products (III) with moderate to high enantioselectivities.
ChemInform Abstract: A Metal‐Free Protocol for Direct Oxidative De‐alkoxycarbonylation of Alkyl Phenyl Acetate by Molecular Iodine.
Authors: Humne Vivek T. , Lokhande Pradeep D.
Published: August 2014

The protocol is advantageous with regards to operational simplicity and good functional group tolerance.
ChemInform Abstract: A Regio‐ and Stereoselective Entry to (Z)‐β‐Halo Alkenyl Sulfides and Their Applications to Access Stereodefined Trisubstituted Alkenes.
Authors: Liu Ge , Kong Lichun , Shen Ji , Zhu Gangguo
Published: August 2014

The base‐promoted hydrothiolation of bromoalkyne (I) leads to (Z)‐bromo vinylic sulfides (III), which are converted into (Z)‐trisubstituted alkenes (VII) and (VIII) by Suzuki coupling and a subsequent reaction of resulting alkenyl sulfides (V) with Grignard reagents (VI).
ChemInform Abstract: Palladium‐Catalyzed Trifluoromethylthiolation of Aryl C—H Bonds.
Authors: Xu Chunfa , Shen Qilong
Published: August 2014

For the first time, a highly selective Pd(II)‐catalyzed C‐H monotrifluoromethylthiolation reaction which is tolerant to a wide range of functional groups is reported.
ChemInform Abstract: Synthesis, Characterization and X‐Ray Structures of N‐Heterocyclic Carbene Palladium Complexes Based on Calix[4]arenes: Highly Efficient Catalysts Towards Suzuki—Miyaura Cross‐Coupling Reactions.
Authors: Ren Hui , Xu Yong , Jeanneau Erwann , Bonnamour Isabelle , Tu Tao , Darbost Ulrich
Published: August 2014

A novel calix[4]arene tagged palladium NHC complex is found to be the most efficient catalyst for Suzuki—Miyaura cross‐coupling reactions.
ChemInform Abstract: Type 1 Ring‐Opening Reactions of Cyclopropanated 7‐Oxabenzonorbornadienes with Organocuprates.
Authors: Carlson Emily , Haner Jamie , McKee Mary , Tam William
Published: August 2014

Novel approach for the preparation of 2‐methyl‐1,2‐dihydronaphthalen‐1‐ols via organocopper‐mediated ring‐opening reaction of cyclopropanated 7‐oxabenzonorbornadiene is reported.
ChemInform Abstract: Syntheses of Biodiesel Precursors: Sulfonic Acid Catalysts for Condensation of Biomass‐Derived Platform Molecules.
Authors: Balakrishnan Madhesan , Sacia Eric R. , Bell Alexis T.
Published: August 2014

Upon several tested sulfonic acid, para‐toluene sulfonic acid shows the highest reactivity in the reaction of furfural (I) and 2‐methylfuran (II).
ChemInform Abstract: Facile Functionalization at the C2 Position of a Highly Substituted Benzofuran.
Authors: He Shuwen , et al. et al.
Published: August 2014

The synthesis of starting material (I) is described, involving C2‐borylation of the parent benzofuran to obtain the boronic acid (XIII) and quenching of the latter with iodine.
ChemInform Abstract: NHC‐Catalyzed Oxidative Cyclization Reaction for the Synthesis of 3‐Substituted Phthalides
Authors: Youn So Won , Song Hyoung Sub , Park Jong Hyub
Published: August 2014

33 examples
ChemInform Abstract: Straightforward Synthesis of Oligopyrroles Through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.
Authors: Jiang Ting , Zhang Ping , Yu Changjiang , Yin Jian , Jiao Lijuan , Dai En , Wang Jun , Wei Yun , Mu Xiaolong , Hao Erhong
Published: August 2014

The aromatic substitution reaction of halogenated boron dipyrrins with pyrroles allows the synthesis of a series of symmetrical and unsymmetrical bis pyrrole‐substituted derivatives as well as mono pyrrole‐substituted products.
ChemInform Abstract: Iron‐Catalyzed Aerobic Difunctionalization of Alkenes: A Highly Efficient Approach to Construct Oxindoles by C—S and C—C Bond Formation.
Authors: Shen Tao , Yuan Yizhi , Song Song , Jiao Ning
Published: August 2014

A series of oxindoles is obtained by a novel iron‐catalyzed oxidative sulfon‐carbocyclization of N‐arylacrylamides with sulfinic acids.
ChemInform Abstract: Rapid Assessment of Protecting‐Group Stability by Using a Robustness Screen.
Authors: Collins Karl D. , Ruehling Andreas , Lied Fabian , Glorius Frank
Published: August 2014

The stability of up to twelve protecting groups to a given set of reaction conditions is investigated in a single experiment.
ChemInform Abstract: Nano‐Titania‐Supported Preyssler‐Type Heteropolyacid: An Efficient and Reusable Catalyst in Ultrasound‐Promoted Synthesis of 4H‐Chromenes and 4H‐Pyrano[2,3‐c]pyrazoles.
Authors: Azarifar Davood , Khatami Seyed‐Mola , Nejat‐Yami Razieh
Published: August 2014

The recovered catalyst is reused for three consecutive runs without any significant loss of activity.
ChemInform Abstract: Tandem Aza‐Michael‐Aldol Reactions: One‐Pot Synthesis of Functionalized Piperidine Derivatives.
Authors: Huang Fu‐Ping , Dong Zhen‐Wen , Zhang Hai‐Rui , Hui Xin‐Ping
Published: August 2014

Optimum reaction conditions for the title reaction are examined.
ChemInform Abstract: Copper‐Catalyzed α‐Methylenation of Benzylpyridines Using Dimethylacetamide as One‐Carbon Source.
Authors: Itoh Masaki , Hirano Koji , Satoh Tetsuya , Miura Masahiro
Published: August 2014

In the presence of air as oxidant pyridine ketone (VIII) is isolated.
ChemInform Abstract: Pd‐Catalyzed Decarboxylative Cross‐Coupling of 2‐Carboxyazine N‐Oxides with Various (Hetero)aryl Halides.
Authors: Rouchet Jean‐Baptiste , Schneider Cedric , Spitz Cedric , Lefevre Johan , Dupas George , Fruit Corinne , Hoarau Christophe
Published: August 2014

DFT‐Calculations to highlight the decarboxylative metallation pathway under Cu(I) and Ag(I) catalysis are performed.
ChemInform Abstract: One Pot Synthesis of Fused Chromene‐pyrano‐pyrimidines and Evaluation of Their Antimicrobial Activity.
Authors: Prasad J. Venkata , Kumar N. Ravi , Solomon K. Anand , Nilaventhan K. R. S. Sudar , Lowrence Rene Christene , Saisubramanian N. , Gopikrishna G.
Published: August 2014

10 Title compounds of type (V) are prepared by a new one‐pot four‐component reaction.
ChemInform Abstract: Trifluoroacetic Acid‐Promoted Michael Addition—Cyclization Reactions of Vinylogous Carbamates.
Authors: Naganaboina Ram Tilak , Nayak Amrita , Peddinti Rama Krishna
Published: August 2014

A simple and efficient synthesis of pyrrolobenzoxazines from readily available starting materials is presented.
ChemInform Abstract: Chemoselective Reactions under Solvent‐Free Conditions: Lanthanide‐Catalyzed Syntheses of 2‐Amino‐3,1‐benzothiazines and 3,4‐Dihydroquinazoline‐2‐thiones.
Authors: Hua Lu , Yao Zhigang , Xu Fan , Shen Qi
Published: August 2014

A catalyst‐controlled chemoselective reaction of 2‐aminocinnamate (I) with isothiocyanates (II) in the presence of various lanthanide complexes, affording (III) or (IV) as major products is described.
ChemInform Abstract: Synthesis of Non‐Natural L‐Alanine Derivatives Using the Aza‐Cope—Mannich Reaction.
Authors: Ratmanova Nina K. , Belov Dmitry S. , Andreev Ivan A. , Kurkin Alexander V.
Published: August 2014

Novel bicyclic non‐natural L‐alanine derivatives such as (VIII) are prepared through a short route involving ring opening of chiral epoxide (I) with enantiopure alanine ester (II), catalytic hydrogenation, and final aza‐Cope—Mannich reaction.
ChemInform Abstract: A Pair of Unprecedented Cyclohexylethanoid Enantiomers Containing Unusual Trioxabicyclo[4.2.1]nonane Ring from Clerodendrum bungei.
Authors: Zhu Hucheng , Huan Lijun , Chen Chunmei , Yang Jing , He Jiangbo , Chen Yong , Yao Guangmin , Luo Zengwei , Xue Yongbo , Zhang Yonghui
Published: August 2014

The isolation of Clerobungin A, consisting of the enantiomers (I) and (II), as well as of (+)‐rengyolone (III) and cleroindicin E (IV) is described.
ChemInform Abstract: Synthesis and Evaluation of (‐)‐Massoialactone and Analogues as Potential Anticancer and Antiinflammatory Agents.
Authors: Barros Maria E.S.B. , Freitas Juliano C.R. , Oliveira Juliana M. , da Cruz Carlos H.B. , da Silva Paulo B.N. , de Araujo Larissa C.C. , Militao Gardenia C.G. , da Silva Teresinha G. , Oliveira Roberta A. , Menezes Paulo H.
Published: August 2014

Among all derivatives synthesized, compound (IId) is found to be the most active compound against MCF‐7, HT‐29, NCI‐H292, HL‐60, and K562 cancer cell lines.
ChemInform Abstract: Toward the Total Synthesis of Hygrocin B and Divergolide C: Construction of the Naphthoquinone—Azepinone Core.
Authors: Nawrat Christopher C. , Kitson Russell R. A. , Moody Christopher J.
Published: August 2014

The synthesis of the naphthoquinone‐azepine core (I) of hygrocin B (II) and divergolide C (III) is based on a Diels—Alder approach using an unusual benzoquinone‐azepinone dienophile.
ChemInform Abstract: Practical Total Syntheses of Acromelic Acids A and B.
Authors: Ouchi Hitoshi , Asahina Aya , Asakawa Tomohiro , Inai Makoto , Hamashima Yoshitaka , Kan Toshiyuki
Published: August 2014

Acromelic Acids A (Ia) and B (Ib) exhibit significant neuro‐excitatory activity.
ChemInform Abstract: Ivorenolide B, an Immunosuppressive 17‐Membered Macrolide from Khaya ivorensis: Structural Determination and Total Synthesis.
Authors: Wang Yao , Liu Qun‐Fang , Xue Ji‐Jun , Zhou Yu , Yu Huang‐Chao , Yang Sheng‐Ping , Zhang Bo , Zuo Jian‐Ping , Li Ying , Yue Jian‐Min
Published: August 2014

The asymmetric synthesis of ivorenolide B (I) is successfully achieved in six steps with an overall yield of 26%.
ChemInform Abstract: Trends in Spin and Orbital Magnetism of Free and Encapsulated FePt Nanoparticles
Authors: Gruner Markus Ernst
Published: August 2014

Review: 99 refs.
ChemInform Abstract: Radicals in Metal—Organic Frameworks
Authors: Faust Thomas B. , D'Alessandro Deanna M.
Published: August 2014

Review: literature of 2011—2013; 111 refs.
ChemInform Abstract: Continuous Flow Photochemistry
Authors: Gilmore Kerry , Seeberger Peter H.
Published: August 2014

Review: [efforts of the Seeberger group in continuous photochemical reactions including cyclizations, intermolecular couplings, radical polymerizations, as well as a range of singlet oxygen oxygenations; 53 refs.
ChemInform Abstract: Catalytic C—H Amination: A Reaction Now Accessible to Engineered Natural Enzymes
Authors: Mahy Jean‐Pierre , Ciesielski Jennifer , Dauban Philippe
Published: August 2014

Review: 19 refs.
ChemInform Abstract: Palladium‐Catalyzed Suzuki Reaction in Aqueous Solvents Applied to Unprotected Nucleosides and Nucleotides
Authors: Herve Gwenaelle , Sartori Guillaume , Enderlin Gerald , Mackenzie Grahame , Len Christophe
Published: August 2014

Review: [56 refs.
ChemInform Abstract: Experimental and Theoretical Methods for the Analyses of Dynamic Combinatorial Libraries
Authors: Misuraca Maria Cristina , Moulin Emilie , Ruff Yves , Giuseppone Nicolas
Published: August 2014

Review: [72 refs.
ChemInform Abstract: H2 and O2 Activation — A Remarkable Insight into Hydrogenase
Authors: Ogo Seiji
Published: August 2014

Review: [51 refs.
ChemInform Abstract: Development of External Stimuli‐Responsive Nucleic Acids by Sugar, Backbone, and Nucleobase Modification
Authors: Morihiro Kunihiko , Kodama Tetsuya , Obika Satoshi
Published: August 2014

Review: [55 refs.
ChemInform Abstract: The Diverse Pharmacology and Medicinal Chemistry of Phosphoramidates — A Review
Authors: Oliveira Fabricio M. , Barbosa Luiz C. A. , Ismail Fyaz M. D.
Published: August 2014

Review: 97 refs.
ChemInform Abstract: DNA Nanoarchitectures: Steps Towards Biological Applications
Authors: Tintore Maria , Eritja Ramon , Fabrega Carmen
Published: August 2014

Review: [recent progresses in the use of DNA nanoconstructs for molecular and cellular biology; 150 refs.
ChemInform Abstract: On‐surface Single Molecule Synthesis Chemistry: a Promising Bottom‐up Approach Towards Functional Surfaces
Authors: Zhang Xuemei , Zeng Qingdao , Wang Chen
Published: August 2014

Review: 105 refs.
ChemInform Abstract: Reactivity and Applications of Layered Silicates and Layered Double Hydroxides
Authors: Selvam Thangaraj , Inayat Alexandra , Schwieger Wilhelm
Published: August 2014

Review: 246 refs.
ChemInform Abstract: Thermoelectric Materials: A Brief Historical Survey from Metal Junctions and Inorganic Semiconductors to Organic Polymers
Authors: Taroni Prospero J. , Hoces Itziar , Stingelin Natalie , Heeney Martin , Bilotti Emiliano
Published: August 2014

Review: 130 refs.
ChemInform Abstract: Understanding the Reactivity of Metallic Nanoparticles: Beyond the Extended Surface Model for Catalysis
Authors: Vines Francesc , Gomes Jose R. B. , Illas Francesc
Published: August 2014

Review: 50 refs.
Nonuniform Continuum Model for Solvatochromism Based on Frozen‐Density Embedding Theory
Authors: Shedge Sapana Vitthal , Wesolowski Tomasz A.
Published: August 2014

Frozen‐density embedding theory (FDET) provides the formal framework for multilevel numerical simulations, such that a selected subsystem is described at the quantum mechanical level, whereas its environment is described by means of the electron density (frozen density; ${\rho _{\rm{B}} (\vec r)}$). The frozen density ${\rho _{\rm{B}} (\vec r)}$ is usually obtained from some lower‐level quantum mechanical methods applied to the environment, but FDET is not limited to such choices for ${\rho _{\rm{B}} (\vec r)}$. The present work concerns the application of FDET, in which ${\rho _{\rm{B}} (\vec r)}$ is the statistically averaged electron density of the solvent ${\left\langle {\rho _{\rm{B}} (\vec r)} \right\rangle }$. The specific solute–solvent interactions are represented in a statistical manner in ${\left\langle {\rho _{\rm{B}} (\vec r)} \right\rangle }$. A full self‐consistent treatment of solvated chromophore, thus involves a single geometry of the chromophore in a given state and the corresponding ${\left\langle {\rho _{\rm{B}} (\vec r)} \right\rangle }$. We show that the coupling between the two descriptors might be made in an approximate manner that is applicable for both absorption and emission. The proposed protocol leads to accurate (error in the range of 0.05 eV) descriptions of the solvatochromic shifts in both absorption and emission.
Universal approach for nonstoichiometry determination in binary chemical compounds
Authors: Avetissov Igor , Mozhevitina Elena , Khomyakov Andrew , Khanh Tran
Published: August 2014

A universal approach for a development of a nonstoichiometry (NS) measurement technique for binary compounds has been proposed. The approach is based on a pi‐T‐x diagram analysis for binary chemical compounds with different mutual arrangements of stoichiometry line, congruent sublimation line and SLV area. NS detection limits for PbTe, CdS, CdSe, CdTe, ZnSe, ZnTe from 10−4 up to 5 × 10−6 mol.% with a relative accuracy <18 rel.% were found out for the different excess component.
Environmentally‐Friendly Lithium Recycling From a Spent Organic Li‐Ion Battery
Authors: Renault Stéven , Brandell Daniel , Edström Kristina
Published: August 2014

A simple and straightforward method using non‐polluting solvents and a single thermal treatment step at moderate temperature was investigated as an environmentally‐friendly process to recycle lithium from organic electrode materials for secondary lithium batteries. This method, highly dependent on the choice of electrolyte, gives up to 99 % of sustained capacity for the recycled materials used in a second life‐cycle battery when compared with the original. The best results were obtained using a dimethyl carbonate/lithium bis(trifluoromethane sulfonyl) imide electrolyte that does not decompose in presence of water. The process implies a thermal decomposition step at a moderate temperature of the extracted organic material into lithium carbonate, which is then used as a lithiation agent for the preparation of fresh electrode material without loss of lithium.
Sensorimotor training during expression of the leg extension response (LER) in 1‐day‐old rats
Authors: Belnap Starlie C. , Allmond Jacob T. , Boomhower Steven R. , Roberto Megan E. , Brumley Michele R.
Published: August 2014

In newborn rats, the leg extension response (LER) is a coordinated hyperextension of the hindlimbs that is shown in response to anogenital stimulation. Here we examined the influence of sensorimotor training on LER expression in postnatal day 1 rats. In Experiment 1, we examined if proprioceptive feedback facilitates LER expression. We did this by repeatedly stimulating the pup's anogenital region with a vibrotactile device, to experimentally evoke the LER, thus increasing LER‐relevant hindlimb proprioceptive feedback during training. In trained subjects, the LER was evoked every 4 min for 15 trials, followed by a final LER test. Results indicated that proprioceptive feedback on its own did not alter later expression of the LER. In Experiment 2, we examined the effect of both proprioceptive and cutaneous feedback on LER expression, through the use of a range of motion (ROM) restriction during training. During ROM restriction, a Plexiglas plate was placed beneath the pup at 50% of limb length. After the 15th training trial, a final LER test occurred with no ROM restriction in place. Compared to controls, pups that experienced ROM restriction exhibited a significantly shorter LER duration, and smaller hip and ankle angles during the LER test (indicating greater limb flexion). Together these findings show that concurrent proprioceptive and cutaneous feedback, but not proprioceptive feedback alone, has persistent effects on expression of this newborn action pattern. © 2014 Wiley Periodicals, Inc. Dev Psychobiol 56: 1553–1563, 2014.
Stability Criterion of Biped Robot on Rough Terrain
Authors: Mori Keita , Fukui Fumiyuki , Uchimura Yutaka
Published: August 2014

This paper presents a stability criterion for biped robots on rough terrain. On rough terrain, which is not perpendicular to gravity, a robot may not fall even though its center of mass is out of the area of the supported polygon defined by the conventional VHP (virtual horizontal plane) method. This is because there exists a certain force opposing the torque that causes the robot to fall down. We propose a new measure for strictly judging the limit of falling considering all the forces acting on the contact points. Numerical simulations and experimental results are also shown, which verify the proposed method.
Development and Operational Status of Wind Power Forecasting System
Authors: Aoki Isao , Tanikawa Ryoichi , Hayasaki Nobuyuki , Matsumoto Mitsuhiro , Enomoto Shigero
Published: August 2014

Itochu Techno‐Solutions Corporation (CTC) and Tohoku Electric Power Co., Inc. have developed a system which predicts the wind power output in the control area of an electric power system in order to contribute to demand and supply control of the power system. Official operation of the system has been started after experimental operation during 3 years. Currently, the forecast information is used as reference information for electric power system operation in Tohoku Electric Power Co., Inc. In this paper, we describe the outline, operational status, and forecast accuracy of the system. We verified stable operation of the system and forecast accuracy of about 8% (intraday forecast) and 10% (day‐ahead forecast) by RMSE during experimental and official operation.
The neurotrophic factor receptor RET regulates IL‐10 production by in vitro polarised T helper 2 cells
Authors: Almeida Afonso R. M. , Fonseca‐Pereira Diogo , Arroz‐Madeira Sílvia , Ribeiro Hélder , Labão‐Almeida Carlos , Veiga‐Fernandes Henrique
Published: August 2014

T helper (Th) cells are critical players in the modulation of immune response outcomes. Activation of Th cells gives rise to various subsets of effector cells that are controlled via specialised regulatory T cells or through self‐regulation via production of IL‐10. However, the environmental factors that regulate IL‐10 production by Th cells remain poorly understood. Here, we show that the neurotrophic factor receptor rearranged during transfection (RET) downregulates IL‐10 production by Th cells from C57BL/6 mice. We found that effector Th cells express RET and that RET's neurotrophic factor partners are mainly produced by LN stromal cells, allowing context‐dependent Th‐cell regulation. Despite being dispensable for Th‐cell homeostasis, RET controls IL‐10 production in Th2 cells: RET‐deficient Th cells exhibited increased IL‐10 production, while triggering of Th1/2 cells with neurotrophic factors, namely glial‐derived neurotrophic factor and neurturin, decreased the expression of IL‐10. In agreement, the important IL‐10 transcription factor Maf was upregulated in RET‐deficient Th2 cells and down‐regulated upon RET signalling activation by glial‐derived neurotrophic factor family ligands. Thus, our study uncovers neurotrophic factors as novel regulators of Th‐cell function, revealing that Th cells and neurons can be regulated by similar signals in tissue‐specific responses.
Evolution of the Coordination‐Sphere Symmetry in Copper(II), Nickel(II), and Zinc(II) Complexes with N,N′‐Double‐Armed Diaza‐Crown Ethers: Experimental and Theoretical Approaches
Authors: Selmeczi Katalin , Joly Jean‐Pierre , Allali Mustapha , Yeguas Violeta , Henry Bernard , Ruiz‐Lopez Manuel
Published: August 2014

N,N′‐Bis(triazolyl)diaza[18]crown‐6 and corresponding diaza[15]crown‐5 ethers were synthesized by means of click chemistry. The interaction of these ligands with NiII, CuII, and ZnII cations were studied by UV/Vis and 1H and 13C NMR spectroscopy. The solid‐state structure of NiII and ZnII complexes formed by the diaza[18]crown‐6 ligand were determined by means of X‐ray crystallography. The NiII complex is centrosymmetric; the geometry around the metal ion is slightly distorted octahedral whereby the equatorial sites were occupied by four N atoms, and the axial positions by two O atoms that come from the crown moiety. For the ZnII–diaza[18]crown‐6 complex, an irregular octahedral coordination was observed whereby the metal ion is asymmetrically placed in the macrocyclic cavity. The equatorial plane is occupied by two N and two O atoms of the crown moiety, and two N atoms of the triazolyl motifs on the pendant arms occupy the axial positions. The diamagnetic character of the ZnII ion allows its structural study in solution by NMR spectroscopy. A dynamic behavior was observed at room temperature, which corresponds to the displacement of the ZnII ion between the bond end and the nonbond end of the macrocycle. This movement results in an S4‐symmetrical structure in solution. Quantum chemical calculations at the DFT level have allowed us to interpret the experimental results observed in the solid state for the symmetry of the complexes in terms of covalent and noncovalent interactions, which favor the centrosymmetric and irregular octahedral coordination modes, respectively. Only the structure of the CuII complex with N,N′‐bis(triazolyl)diaza[15]crown‐5 ligand has been investigated in the solid state, for which a pentagonal bipyramidal coordination sphere was observed. This coordination geometry was confirmed in solution in MeCN by UV/Vis spectroscopy, and also for the ZnII complex by NMR spectroscopy. In the case of the NiII complex, a structural modification was suggested in solution in MeCN based on the UV/Vis spectrum. The rearrangement of heptadentate coordination to hexadentate is proposed.
Synthesis, Structures and Coordination Chemistry of Singly Bridged Phosphane‐Boranes with Coordinately Unsaturated Platinum Group Metals
Authors: Greenacre Victoria K. , Ansell Melvyn B. , Roe S. Mark , Crossley Ian R.
Published: August 2014

A range of singly bridged phosphane‐boranes (PBs) have been investigated as potential ligands for basic transition metals. The PBs Ph2PC(Ph)=C(R)BR2 (R = Bu 1, Ph 2, Et 3), based on a rigid cis‐ethylene bridges, have been prepared, improving upon limited literature precedent. All three compounds have been comprehensively characterised for the first time, including by X‐ray diffraction studies. Significant intramolecular P→B association is apparent in each case, which serves to preclude their engagement as ligands. In contrast, the more flexible PBs R2P(CH2)2BBN (R = Fu 5, Ph 6) readily coordinate to the platinum group metals Pt, Pd and Rh. These complexes have been fully characterised, including an X‐ray diffraction study of [Rh(CO){Fu2P(CH2)2BBN}2Cl] (13).
Unusual Solvent Dependence of a Molecule‐Based FeII Macrocyclic Spin‐Crossover Complex
Authors: Wang Hongfeng , Sinito Chiara , Kaiba Abdellah , Costa José Sanchez , Desplanches Cédric , Dagault Philippe , Guionneau Philippe , Létard Jean‐François , Negrier Philippe , Mondieig Denise
Published: August 2014

This work illustrates in detail the reversible hydration–dehydration process of a molecule‐based material, which involves a drastic change of the switchable magnetic properties of the sample. Concretely, the complex [FeL222N3O2(CN)2]·H2O exhibits a spin crossover (SCO) accompanied by a change of the coordination number. The dehydration and rehydration of this SCO complex was carried out and monitored by different methods, which include X‐ray diffraction analysis. The corresponding samples display a thermal spin transition as well as a thermal quenching of the metastable high‐spin state at low temperature. In particular it was observed that the rehydrated material exhibits a particularly high temperature of relaxation, T(TIESST), of the metastable high‐spin state. On the other hand, it was shown that this compound exhibits a uncommon correlation between T(TIESST) and the thermal SCO, as compared with other spin‐crossover compounds that do not exhibit a change in coordination number.
Phosphate Diester Cleavage, DNA Interaction and Cytotoxic Activity of a Bimetallic Bis(1,4,7‐triazacyclononane) Zinc Complex
Authors: Montagner Diego , Gandin Valentina , Marzano Cristina , Erxleben Andrea
Published: August 2014

Invited for the cover of this issue are researchers from the National University of Ireland, Galway, and the University of Padua, Italy. The cover image shows the X‐ray structure of the dinuclear bis(1,4,7‐triazacyclononane) zinc complex synthesized in this work. The complex converts supercoiled plasmid DNA into the nicked form at low micromolar concentration and shows promising in vitro antitumor activity against pancreatic and lung cancer cell lines.
Comparison of the performance of different models for the interpretation of low level mixed DNA profiles
Authors: Bille Todd W. , Weitz Steven M. , Coble Michael D. , Buckleton John , Bright Jo‐Anne
Published: August 2014

DNA analyses from forensic casework samples commonly result in complex DNA profiles. Often, these profiles consist of multiple contributors and display multiple stochastic events such as peak height imbalance, allelic or locus drop‐out, allelic drop‐in, and excessive or indistinguishable stutter. This increased complexity has established a need for more sophisticated methods of DNA mixture interpretation. This study compares the effectiveness of statistical models in the interpretation of artificially created low template two person mixed DNA profiles at varying proportions and template quantities. Two binary models (combined probability of inclusion and random match probability), a semicontinuous (Lab retriever), and continuous model (STRmix™) were compared. Generally, as the sophistication of the models increases, the power of discrimination increases. Differences in discrimination often correlate to each model's ability to use observed data effectively. Binary models require static thresholds resulting in unused data and outliers that may lead to difficult or incorrect interpretation. Semicontinuous and continuous models eliminate the stochastic threshold, however Lab Retriever does not account for stochastic events beyond drop‐out and drop‐in leading to possible less effective use of the data. STRmix™ incorporates all stochastic events listed above into the calculation making the most effective use of the observed data.
Predicting the Intention to Use a Web‐Based Learning System: Perceived Content Quality, Anxiety, Perceived System Quality, Image, and the Technology Acceptance Model
Authors: Calisir Fethi , Altin Gumussoy Cigdem , Bayraktaroglu Ayse E. , Karaali Demet
Published: August 2014

The aim of this study is to determine the factors affecting blue‐collar workers’ intention to use a web‐based learning system in the preimplementation phase in the automotive industry. For that purpose an extended technology acceptance model (TAM) is proposed, which included factors such as image, perceived content quality, and perceived system quality as additions to the basic model. Data collected from 546 blue‐collar workers were used to test the proposed research model by using Linear Structural Relations software LISREL, Version 8.54. The findings of the study indicate that perceived usefulness is the strongest predictor of behavioral intention to use a web‐based learning system. In addition, a high proportion of perceived usefulness is explained by perceived content quality, and perceived ease of use is explained by perceived system quality and anxiety.
Extraversion Personality and Computer Game Play
Authors: Fang Xiaowen , Zhu Miaoqi , Chan Susy
Published: August 2014

This study explored the relationship between one of the personality traits, extraversion, and computer game play. Some interesting observations about extraversion scores and what game players played were made during an online survey on enjoyment of computer game play. On the basis of these observations, an exploratory study was designed and conducted to further explore in‐depth information that might help interpret the preliminary observations. Results from both the online survey and the exploratory study were analyzed and synthesized. A hypothesis was proposed and substantiated by both empirical observations and theory. The findings of this study will likely provide researchers with insights into designing games for special purposes, such as education and training.
Long‐term water budget imbalances and error sources for cold region drainage basins
Authors: Wang Shusen , Huang Jianliang , Yang Daqing , Pavlic Goran , Li Junhua
Published: August 2014

This study assessed the long‐term (1979–2008) water budget closures for 19 large cold region drainage basins in Canada using recently developed datasets for precipitation (P), land surface evapotranspiration and water surface evaporation, and observed streamflow. Total water storage (TWS) trends from the GRACE satellite observations were also used to assist the assessment. The objectives are to quantify the magnitudes and spatial patterns of the water budget imbalance (ε) and its source of errors for these cold region basins. Results showed that the water budget was closed within 10% of the P on average for all the basins. The ε showed a general pattern of positive values in the south and negative values in the north and mountainous regions over the country. Basins with large ε values were mostly found in the north. Uncertainties in the water budget variables, particularly P, were found to play a major role in the ε. Significant trends in TWS were found over 11 basins, which accounted for 31% of their ε on average. Improvements in the observation network, data quality assurance, and spatial models for P are critical for further improving the water budget closure for the cold region drainage basins. © 2014 Her Majesty the Queen in Right of Canada. Hydrological Processes. © John Wiley & Sons, Ltd.
FORWARD PROGRESS OF SCIENTIFIC INQUIRY INTO THE EARLY FATHER–CHILD RELATIONSHIP: INTRODUCTION TO THE SPECIAL ISSUE ON VERY YOUNG CHILDREN AND THEIR FATHERS
Authors: Bocknek Erika L. , Hossain Ziarat , Roggman Lori
Published: August 2014

Research on fathering and the father–child relationship has made substantial progress in the most recent 15 years since the last special issue of the Infant Mental Health Journal on fathers and young children. This special issue on fathers and young children contains a series of papers exemplifying this progress, including advances in methodology—more direct assessment and more observational measures—in addition to the increasing dynamic complexity of the conceptual models used to study fathers, the diversity of fathers studied, and the growth of programs to support early father involvement. In assessing the current state of the field, special attention is given to contributions made by the papers contained in this special issue, and two critical areas for continued progress are addressed: (1) methodological and measurement development that specifically address fathers and fathering relationships and (2) cross‐cultural and ecologically valid research examining the diversity of models of fathering.
WORD RETRIEVAL LATENCIES AS A FUNCTION OF FREQUENCY AND AGE‐OF‐ACQUISITION PRIMING, REPEATED TRIALS, AND INDIVIDUAL DIFFERENCES
Authors: Carroll John B.
Published: August 2014

Over three immediately succeeding trials using different randomized orders of stimuli, 45 young adults, mostly males, named 50 pictures of objects, each as rapidly as possible; latencies were measured for each item. Fifteen of the subjects were tested in a control condition; before each of 5 blocks of 10 items in a trial, subjects in a second group (N = 15) were given information as to the word frequency (WF) level of the items' names, and a third group (N = 15) were given information as to the typical age of acquisition (AOA) level of the names, the pictures and names having been selected such that the WF and AOA levels had a correlation as low as possible. Under all conditions, the previous finding (Carroll & White, 1973a) that AOA was a stronger predictor of latencies than WF was confirmed. Scores on a psychometric test of speed of picture naming were highly correlated (within‐group r = .69) with mean reciprocals of latencies in the experimental picture‐naming situation. “Priming” of responses by prior information on AOA was more facilitative than WF information, but as compared to the control condition such information had a retarding effect. Speed of naming improved over trials in all conditions, but AOA levels of the names, as well as the lags between successive presentations of an item, affected the amount of improvement in a complex manner. It is suggested that retrieval of an item from TLTM (“truly long‐term memory”) places it in an immediate memory buffer.
ASSIGNMENT TO TREATMENT GROUP ON THE BASIS OF A COVARIATE
Authors: Rubin Donald B.
Published: August 2014

When assignment to treatment group is made solely on the basis of the value of a covariate, X, effort should be concentrated on estimating the conditional expectations of the dependent variable Y given X in the treatment and control groups. One then averages the difference between these conditional expectations over the distribution of X in the relevant population. There is no need for concern about “other” sources of bias, e.g., unreliability of X, unmeasured background variables. If the conditional expectations are parallel and linear, the proper regression adjustment is the simple covariance adjustment. However, since the resulting estimates may be somewhat sensitive to the adequacy of the underlying model, it is wise to search for non‐parallelism and non‐linearity in these conditional expectations. Blocking on the values of X is also appropriate, although the resulting estimates may be somewhat sensitive to the coarseness of the blocking employed.
Correlation between the promoter basal core and precore mutations and HBsAg quantification in French blood donors infected with hepatitis B virus
Authors: Pivert A. , Servant‐Delmas A. , Lunel‐Fabiani F. , Le Guillou‐Guillemette H. , Laperche S. , Ducancelle A.
Published: August 2014

Hepatitis B virus (HBV) basal core promoter (BCP) and precore (PC) mutations, HBV viral load and HBV surface antigen (HBsAg) quantitation were screened to assess correlations between these HBV markers in asymptomatic chronic hepatitis B carriers in France. From January 2006 to July 2007, 200 sera were collected from patients who were discovered to be HBsAg‐positive when they volunteered to give blood. Direct sequencing of precore/core gene was used to detect A1762T/G1764A mutations in the BCP and G1896A in the PC region. HBV viral load and HBsAg were quantified with two commercials assays. The prevalence of the BCP and PC mixed/mutants were 37% and 60% respectively (P = 0.0001). HBV DNA level and HBsAg titer were significantly lower in subjects harboring the mixed/mutant PC virus compared to those infected by the wild phenotype. No significant difference was observed in HBV viral loads of blood donors infected by wild or mixed/mutant BCP viruses. Mutant or mixed PC virus was associated with male gender, HBeAb‐positive status and HBV/D and HBV/E genotypes. BCP mutations were associated with age, and both HBV/A‐HBV/E genotypes.The genetic properties of HBV in this cohort showed that most of the blood donors had a negative HBeAg serological status and harbored the PC mutant phenotype in combination with low levels of both HBV DNA and HBsAg. As the study was conducted in healthy subjects who could be considered as asmptomatic carriers, these results suggest a possible protective effect of the G1896A mutation against severe liver lesions. J. Med. Virol. 87:529–535, 2015. © 2014 Wiley Periodicals, Inc.