bluuebunny/crossref_metadata_2025_split huggingface dataset:
One Hundred Years of the Fritz Haber Institute
Authors: Friedrich Bretislav , Hoffmann Dieter , James Jeremiah 
Published: September 2011

AbstractWe outline the institutional history and highlight aspects of the scientific history of the Fritz Haber Institute (FHI) of the Max Planck Society, successor to the Kaiser Wilhelm Institute for Physical Chemistry and Electrochemistry, from its founding in 1911 until about the turn of the 21st century. Established as one of the first two Kaiser Wilhelm Institutes, the Institute began as a much‐awaited remedy for what prominent German chemists warned was the waning of Germany’s scientific and technological superiority relative to the United States and to other European nations. The history of the Institute has largely paralleled that of 20th century Germany. It spearheaded the research and development of chemical weapons during World War I, then experienced a “golden era” during the 1920s and early 1930s, in spite of financial hardships. Under the National Socialists it suffered a purge of its scientific staff and a diversion of its research into the service of the new regime, accompanied by a breakdown in its international relations. In the immediate aftermath of World War II it suffered crippling material losses, from which it recovered slowly in the postwar era. In 1952, the Institute took the name of its founding director and the following year joined the fledgling Max Planck Society, successor to the Kaiser Wilhelm Society. During the 1950s and 1960s, the Institute supported diverse research into the structure of matter and electron microscopy in its geographically isolated and politically precarious location in West Berlin. In subsequent decades, as Berlin benefited from the policies of détente and later glasnost and the Max Planck Society continued to reassess its preferred model of a research institute, the FHI reorganized around a board of coequal scientific directors and renewed its focus on the investigation of elementary processes on surfaces and interfaces, topics of research that had been central to the work of Fritz Haber and the first “golden era” of the Institute. Throughout its one‐hundred‐year history, the Institute’s pace‐setting research has been shaped by dozens of distinguished scientists, among them seven Nobel laureates. Here we highlight the contributions made at the Institute to the fields of gas‐phase kinetics and dynamics, early quantum physics, colloid chemistry, electron microscopy, and surface chemistry, and we give an account of the key role the Institute played in implementing the Berlin Electron Synchrotron (BESSY I and II). Current research at the Institute in surface science and catalysis as well as molecular physics and spectroscopy is exemplified in this issue [Angew. Chem. 2011, 123, 10242; Angew. Chem. Int. Ed. 2011, 50, 10064].
Glycine hydrochloride ionic liquid/aqueous solution system as a platform for the utilization of chitosan
Authors: Li Lu , Yuan Bing , Liu Shi‐Wei , Yu Shi‐Tao , Xie Cong‐Xia , Liu Fu‐Sheng , Guo Xian‐Ying , Liang Sheng 
Published: September 2011

AbstractGlycine hydrochloride ([Gly]Cl), a room‐temperature ionic liquid (IL), is proposed as a new, good solvent for chitosan with different deacetylation degrees and molecular weights. However, considered from the viscosity of a solution of chitosan and [Gly]Cl, a 2% [Gly]Cl IL aqueous solution was selected as an optimum solvent system for dissolving chitosan. X‐ray diffraction, Fourier transform infrared spectroscopy, and scanning electron microscopy were used to visualize the modifications of the native structures of chitosan during the dissolution and the regeneration processes, morphological features, and properties of the reconstituted chitosan membranes. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Catalytic activity of a reusable polymer‐anchored nickel(II)–phenanthroline complex on the oxidation of various organic substrates
Authors: Islam Sk Manirul , Mobarok Manir , Mondal Paramita , Roy Anupam Singha , Mondal Sanchita , Hossain Dildar 
Published: September 2011

AbstractA polymer‐anchored nickel(II)–phenanthroline complex [polyNi(II)–phen] was synthesized and used effectively as a reusable catalyst in various oxidation reactions in the presence of tert‐butylhydroperoxide as an oxidant in acetonitrile medium. The catalyst was characterized with elemental analysis, atomic absorption spectrometry (AAS), thermogravimetric analysis, scanning electron microscopy, and spectrometric methods such as diffuse reflectance spectroscopy, ultraviolet–visible spectroscopy, and Fourier transform infrared spectroscopy. The study of the effects of the time, temperature, oxidant, catalyst concentration, molar ratio of substrate to oxidant, and solvent in the oxidation of styrene individually gave the optimized reaction conditions. Under optimized conditions, the catalyst exhibited good conversions for the oxidation reactions of various olefins, alkanes, aromatic alcohols, and thioethers. The catalyst was easily recovered by simple filtration and reused for more than five times with consistent catalytic activity. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
The Cultural Revolution–a Traumatic Chinese Experience and Subsequent Transgenerational Transmission: Some Thoughts About Inter‐Cultural Interpretation
Authors: Markert Friedrich 
Published: September 2011

ABSTRACTShortened interviews with a Chinese father, born 1930, and his son, born in 1968 are presented, in order to discuss the traumatic experience of the Cultural Revolution, its Transgenerational Transmission and some Problems of Inter‐cultural Interpretation. Copyright © 2011 John Wiley & Sons, Ltd.
Antioxidant, Cytotoxic Activities, and Structure–Activity Relationship of Gallic Acid‐based Indole Derivatives
Authors: Khaledi Hamid , Alhadi Abeer A. , Yehye Wagee A. , Ali Hapipah Mohd , Abdulla Mahmood A. , Hassandarvish Pouya 
Published: September 2011

AbstractA new series of gallic hydrazones containing an indole moiety was synthesized through the reaction of gallic hydrazide and different indole carboxaldehydes. Their antioxidant activities were determined on DPPH radical scavenging and inhibition of lipid peroxidation. The in‐vitro cytotoxic activities of the compounds were evaluated against HCT‐116 (human colon cancer cell line) and MCF‐7 (estrogen‐dependent human breast cancer cell line) by the MTT method. An attempt to correlate the biological results with their structural characteristics has been done. A limited positive structure activity relationship was found between cytotoxic and antioxidant activities.
Decreased collagen‐induced arthritis severity and adaptive immunity in MKK‐6–deficient mice
Authors: Hammaker Deepa , Topolewski Katharyn , Edgar Meghan , Yoshizawa Toshio , Fukushima Akihisa , Boyle David L. , Burak Esther Cory , Sah Robert L. , Firestein Gary S. 
Published: September 2011

AbstractObjectiveThe MAPK kinases MKK‐3 and MKK‐6 regulate p38 MAPK activation in inflammatory diseases such as rheumatoid arthritis (RA). Previous studies demonstrated that MKK‐3 or MKK‐6 deficiency inhibits K/BxN serum–induced arthritis. However, the role of these kinases in adaptive immunity–dependent models of chronic arthritis is not known. The goal of this study was to evaluate MKK‐3 and MKK‐6 deficiency in the collagen‐induced arthritis (CIA) model.MethodsWild‐type (WT), MKK‐3–/–, and MKK‐6–/– mice were immunized with bovine type II collagen. Disease activity was evaluated by semiquantitative scoring, histologic assessment, and micro–computed tomography. Serum anticollagen antibody levels were quantified by enzyme‐linked immunosorbent assay. In vitro T cell cytokine response was measured by flow cytometry and multiplex analysis. Expression of joint cytokines and matrix metalloproteinases (MMPs) was determined by quantitative polymerase chain reaction.ResultsMKK‐6 deficiency markedly reduced arthritis severity compared with that in WT mice, while the absence of MKK‐3 had an intermediate effect. Joint damage was minimal in arthritic MKK‐6–/– mice and intermediate in MKK‐3–/– mice compared with WT mice. MKK‐6–/– mice had modestly lower levels of pathogenic anticollagen antibodies than did WT or MKK‐3–/– mice. In vitro T cell assays showed reduced proliferation and interleukin‐17 (IL‐17) production by lymph node cells from MKK‐6–/– mice in response to type II collagen. Gene expression of synovial IL‐6, MMP‐3, and MMP‐13 was significantly inhibited in MKK‐6–deficient mice.ConclusionReduced disease severity in MKK‐6–/– mice correlated with decreased anticollagen antibody responses, indicating that MKK‐6 is a crucial regulator of inflammatory joint destruction in CIA. MKK‐6 is a potential therapeutic target in complex diseases involving adaptive immune responses, such as RA.
Indene Formation under Single‐Collision Conditions from the Reaction of Phenyl Radicals with Allene and Methylacetylene—A Crossed Molecular Beam and Ab Initio Study
Authors: Parker Dr Dorian S. N. , Zhang Dr Fangtong , Kaiser Dr Ralf I. , Kislov Dr Vadim V. , Mebel Dr Alexander M. 
Published: September 2011

AbstractPolycyclic aromatic hydrocarbons (PAHs) are regarded as key intermediates in the molecular growth process that forms soot from incomplete fossil fuel combustion. Although heavily researched, the reaction mechanisms for PAH formation have only been investigated through bulk experiments; therefore, current models remain conjectural. We report the first observation of a directed synthesis of a PAH under single‐collision conditions. By using a crossed‐molecular‐beam apparatus, phenyl radicals react with C3H4 isomers, methylacetylene and allene, to form indene at collision energies of 45 kJ mol−1. The reaction dynamics supported by theoretical calculations show that both isomers decay through the same collision complex, are indirect, have long lifetimes, and form indene in high yields. Through the use of deuterium‐substituted reactants, we were able to identify the reaction pathway to indene.
Genetic studies of the cystathionine beta‐synthase gene and myelomeningocele
Authors: Tilley Melissa M. , Northrup Hope , Au Kit Sing 
Published: September 2011

AbstractBACKGROUND: Among infants born with spina bifida, the most common defect is myelomeningocele (MM). The prevention of MM by maternal periconceptional folic acid (FA) supplementation has been studied extensively. The protective effect provided by FA suggests that the genes involved in folate metabolism, such as cystathionine beta‐synthase (CBS), warrant further investigation. METHODS: This study sequenced the DNA from 96 patients with MM to identify novel potential disease‐causing variants across the 17 exons of the CBS gene. The frequencies of known single nucleotide polymorphisms (SNPs) were identified, and sequences that differed from the reference sequences were considered novel variants. Statistical analysis was performed using two‐sided Fisher's exact test to compare frequencies of SNPs between groups of patients and the known population frequencies. RESULTS: We found a new variant in exon 3 in one patient that results in a G/A change subsequently encoding a stop codon. In addition, we found a new variant in the 3′‐UTR of exon 17. Allele frequencies for 10 known single nucleotide polymorphisms (SNPs) were determined: rs234706, rs72058776, rs1801181, rs6582281, rs71872941, rs12613, rs706208, rs706209, rs73906420, and rs9982921. Of the remaining 48 known SNPs, all tested DNAs were homozygous for the major allele. CONCLUSION: We identified a previously undescribed variant in exon 3 that encodes a stop codon, thus halting downstream translation of the CBS protein. According to the Human Splicing Finder, the 3′‐UTR variant found in exon 17 is predicted to abolish the recognition sites for two splice binding factors, SRp40 and SF2/ASF. The functional significance of the 3′‐UTR mutation needs to be investigated. Birth Defects Research (Part A), 2012. © 2011 Wiley Periodicals, Inc.
Isolation of a new strain of Picochlorum sp and characterization of its potential biotechnological applications
Authors: de la Vega M. , Díaz E. , Vila M. , León R. 
Published: September 2011

AbstractSelection of new autochthon strains is necessary, and for the moment the best strategy, to find microalgae well adapted to the local climatological conditions able to simultaneously produce several compounds of biotechnological interest and grow at high rates. We describe the isolation and characterization of a new microalgal strain isolated from the marshlands of the Odiel River in the Southwest of Spain. The new microalga belongs to the genus Picochlorum, as deduced from the analysis of its 18S rRNA encoding gene, is able to grow at a high growth rate and thrive with adverse conditions. It has an appreciable constitutive level of lutein (3.5 mg g−1 DW) and zeaxanthin (0.4 mg g−1 DW) which is increased to 1.8 mg g−1 DW at high light intensities. This strain is also characterized by a very low level of linolenic acid (3.8% of total fatty acids) and no polyunsaturated fatty acids with four or more double bonds. Although the total lipid content is not particularly high, 23% of the dry weight, its fatty acid profile makes of Picochlorum sp HM1 a promising candidate for biodiesel production, and the high content in the carotenoids lutein and zeaxanthin indicates that the microalga could also be a good source for natural eye vitamin supplements, which could be obtained as co‐products. © 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2011
Modeling of an aerobic biofilm reactor with double‐limiting substrate kinetics: Bifurcational and dynamical analysis
Authors: Olivieri Giuseppe , Russo Maria Elena , Marzocchella Antonio , Salatino Piero 
Published: September 2011

AbstractA mathematical model of an aerobic biofilm reactor is presented to investigate the bifurcational patterns and the dynamical behavior of the reactor as a function of different key operating parameters. Suspended cells and biofilm are assumed to grow according to double limiting kinetics with phenol inhibition (carbon source) and oxygen limitation. The model presented by Russo et al. is extended to embody key features of the phenomenology of the granular‐supported biofilm: biofilm growth and detachment, gas–liquid oxygen transport, phenol, and oxygen uptake by both suspended and immobilized cells, and substrate diffusion into the biofilm. Steady‐state conditions and stability, and local dynamic behavior have been characterized. The multiplicity of steady states and their stability depend on key operating parameter values (dilution rate, gas–liquid mass transfer coefficient, biofilm detachment rate, and inlet substrate concentration). Small changes in the operating conditions may be coupled with a drastic change of the steady‐state scenario with transcritical and saddle‐node bifurcations. The relevance of concentration profiles establishing within the biofilm is also addressed. When the oxygen level in the liquid phase is <10% of the saturation level, the biofilm undergoes oxygen starvation and the active biofilm fraction becomes independent of the dilution rate. © 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2011
Highly Efficient Blue Organic Light‐Emitting Diodes Based on 2‐(Diphenylamino)fluoren‐7‐ylvinylarene Derivatives that Bear a tert‐Butyl Group
Authors: Lee Kum Hee , Kwon Young Soo , Lee Jin Yong , Kang Sunwoo , Yook Kyoung Soo , Jeon Soon Ok , Lee Jun Yeob , Yoon Seung Soo 
Published: September 2011

AbstractBlue fluorescent materials with a 2‐(diphenylamino)fluoren‐7‐ylvinylarene emitting unit and tert‐butyl‐based blocking units were synthesized. The photophysical properties of these materials, including UV/Vis absorption, photoluminescent properties, and HOMO–LUMO energy levels, were characterized and rationalized with quantum‐mechanical DFT calculations. The electroluminescent properties of these molecules were examined through the fabrication of multilayer devices with a structure of indium–tin oxide, 4,4′‐bis{N‐[4‐(N,N‐di‐m‐tolylamino)phenyl]‐N‐phenylamino}biphenyl, 4′‐bis[N‐(1‐naphthyl)‐N‐phenylamino]biphenyl, and blue materials doped in 2‐methyl‐9,10‐di(2‐naphthyl)anthracene/tris(8‐quinolinolato)aluminum/LiF/Al. All devices exhibit highly efficient blue electroluminescence with high external quantum efficiency (3.20–7.72 % at 20 mA cm−2). A deep‐blue device with Commission Internationale de l’Eclairage (CIE) coordinates of (0.15, 0.11) that uses 7‐[2‐(3′,5′‐di‐tert‐butylbiphenyl‐4‐yl)vinyl]‐9,9‐diethyl‐2‐N‐(3,5‐di‐tert‐butylphenyl)‐2,4‐difluorobenzenamino‐9H‐fluorene as a dopant in the emitting layer showed a luminous efficiency and external quantum efficiency of 3.95 cd A−1 and 4.23 % at 20 mA cm−2, respectively. Furthermore, a highly efficient sky‐blue device that uses the dopant 7‐{2‐[2‐(3,5‐di‐tert‐butylphenyl)‐9,9′‐spirobifluorene‐7‐yl]vinyl}‐9,9‐diethyl‐2‐N,N‐diphenylamino‐9H‐fluorene exhibited a luminous efficiency and high quantum efficiency of 10.3 cd A−1 and 7.7 % at 20 mA cm−2, respectively, with CIE coordinates of (0.15, 0.20).
Competitive Reactions of Organophosphorus Radicals on Coke Surfaces
Authors: Catak Saron , Hemelsoet Karen , Hermosilla Laura , Waroquier Michel , Van Speybroeck Veronique 
Published: September 2011

AbstractThe efficacy of organophosphorus radicals as anticoking agents was subjected to a computational study in which a representative set of radicals derived from industrially relevant organophosphorus additives was used to explore competitive reaction pathways on the graphene‐like coke surface formed during thermal cracking. The aim was to investigate the nature of the competing reactions of different organophosphorus radicals on coke surfaces, and elucidate their mode of attack and inhibiting effect on the forming coke layer by use of contemporary computational methods. Density functional calculations on benzene and a larger polyaromatic hydrocarbon, namely, ovalene, showed that organophosphorus radicals have a high propensity to add to the periphery of the coke surface, inhibiting methyl radical induced hydrogen abstraction, which is known to be a key step in coke growth. Low addition barriers reported for a phosphatidyl radical suggest competitive aptitude against coke formation. Moreover, organophosphorus additives bearing aromatic substituents, which were shown to interact with the coke surface through dispersive π–π stacking interactions, are suggested to play a nontrivial role in hindering further stacking among coke surfaces. This may be the underlying rationale behind experimental observation of softer coke in the presence of organophosphorus radicals. The ultimate goal is to provide information that will be useful in building single‐event microkinetic models. This study presents pertinent information on potential reactions that could be taken up in these models.
Solvent/Base Effects in the Selective Domino Synthesis of Phenanthridinones That Involves High‐Valent Palladium Species: Experimental and Theoretical Studies
Authors: Donati Ludovic , Leproux Pascale , Prost Elise , Michel Sylvie , Tillequin François , Gandon Vincent , Porée François‐Hugues 
Published: September 2011

AbstractThe domino reaction of o‐bromobenzamides 1 a–m in the presence of K2CO3 and the [PdCl2(PPh3)2] catalyst granted a selective access to phenanthridinones 2 or to the new 1‐carboxamide phenanthridinones 3 depending on the solvent, DMF or 1,4‐dioxane, respectively. Investigations of the reaction parameters provided the first example of a direct correlation between the base dissociation and the solvent polarity on the selectivity observed. Moreover, mechanistic studies (NMR spectroscopy and ESI‐MS monitoring) allowed us to characterize PdII palladacycle 4 and biaryl species as common intermediates for these two domino processes. On that basis, C(sp2)C(sp2) bond formation is envisaged by generation of a PdIV complex after oxidative addition of 1 into PdII palladacycle 4, a rationale that is supported by DFT calculations. A general catalytic cycle is proposed to account for these observations.
Potassium Silanide (KSiH3): A Reversible Hydrogen Storage Material
Authors: Chotard Jean‐Noël , Tang Wan Si , Raybaud Pascal , Janot Raphaël 
Published: September 2011

AbstractKSi silicide can absorb hydrogen to directly form the ternary KSiH3 hydride. The full structure of α‐KSiD3, which has been solved by using neutron powder diffraction (NPD), shows an unusually short SiD lengths of 1.47 Å. Through a combination of density functional theory (DFT) calculations and experimental methods, the thermodynamic and structural properties of the KSi/α‐KSiH3 system are determined. This system is able to store 4.3 wt % of hydrogen reversibly within a good P–T window; a 0.1 MPa hydrogen equilibrium pressure can be obtained at around 414 K. The DFT calculations and the measurements of hydrogen equilibrium pressures at different temperatures give similar values for the dehydrogenation enthalpy (≈23 kJ mol−1 H2) and entropy (≈54 J K−1 mol−1 H2). Owing to its relatively high hydrogen storage capacity and its good thermodynamic values, this KSi/α‐KSiH3 system is a promising candidate for reversible hydrogen storage.
Passive Mixing Elements for Electrolyte Convection in Flooded Lead‐Acid Batteries
Authors: Ebner Ellen , Wark Michael , Börger Alexander 
Published: September 2011

AbstractBlei‐Säure‐Nassbatterien für Mikro‐Hybrid‐Fahrzeuge, die im Start‐Stopp‐Betrieb und damit in einem Teilladezustand betrieben werden, unterliegen einer starken zyklischen Belastung. Daraus resultiert unter anderem eine inhomogene Säuredichteverteilung, die zu frühzeitigem Kapazitätsverlust führt. Zum Ausgleich von Inhomogenitäten innerhalb des Elektrolyten wurden passive Mischelemente eingesetzt. Zur Beurteilung der Wirksamkeit dieser passiven Mischelemente wurden Blei‐Säure‐Nassbatterien im Labor gealtert. Die Ergebnisse zeigen, dass Mischelemente zu einer Homogensierung des Elektrolyten und damit zu einer um den Faktor 6 verlängerten Lebensdauer führen, wobei die Wirkung der Mischelemente umso stärker ist, je höher die Beschleunigungen im Fahrzeug sind, denen die Batterie ausgesetzt ist.
Estimation of Stability Constants of Copper(II) Complexes with α‐Amino Acids Using Connectivity Index 3χv. Common Model for the Binary and Ternary Complexes
Authors: Milic̆ević Ante , Raos Nenad 
Published: September 2011

AbstractModels for estimation of the first (K1), second (K2), and overall stability constant (β2) of copper(II) chelates with naturally occurring amino acids, based on the valence connectivity index of the 3rd order (3χv), were improved by introduction of a square term and a new graph representation for mono‐complexes (MLcor). The models gave SE=0.07, 0.05–0.07 and 0.05–0.08 for lg K1, lg K2 and lg β2 constants, respectively; models that encompass both binary and ternary bis‐complexes included indicator variable. We also validated our models on the test set which included two mono‐, two binary and two ternary Cu(II) chelates with α‐aminobutanoic acid and α‐aminopentanoic acid, not included into the calibration. The absolute differences between experimental and predicted stability constants were in the range of 0.01–0.16.
A Convenient Method for the Preparation of 1,5‐Diaryl‐3‐(arylamino)‐1H‐pyrrol‐2(5H)‐ones
Authors: Ghashang Majid , Zheng Yan‐Song , Shaterian Hamid Reza 
Published: September 2011

AbstractA simple and eco‐friendly method for the preparation of 1,5‐diaryl‐3‐(arylamino)‐1H‐pyrrol‐2(5H)‐ones via the cyclo‐condensation reaction of aldehydes, amines and ethyl pyruvate in the presence of silica supported ferric chloride (SiO2‐FeCl3) as reusable heterogeneous catalyst is described. The present methodology offers several advantages such as excellent yields, simple procedure and short reaction times.