bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multimetric spatial optimization of switchgrass plantings across a watershed
Authors: Parish Esther S. , Hilliard Michael R. , Baskaran Latha M. , Dale Virginia H. , Griffiths Natalie A. , Mulholland Patrick J. , Sorokine Alexandre , Thomas Neil A. , Downing Mark E. , Middleton Richard S. 
Published: January 2012

AbstractThe increasing demand for bioenergy crops presents our society with the opportunity to design more sustainable landscapes. We have created a Biomass Location for Optimal Sustainability Model (BLOSM) to test the hypothesis that landscape design of cellulosic bioenergy crop plantings may simultaneously improve water quality (i.e. decrease concentrations of sediment, total phosphorus, and total nitrogen) and increase profits for farmer‐producers while achieving a feedstock‐production goal. BLOSM was run using six scenarios to identify switchgrass (Panicum virgatum) planting locations that might supply a commercial‐scale biorefinery planned for the Lower Little Tennessee (LLT) watershed. Each scenario sought to achieve different sustainability goals: improving water quality through reduced nitrogen, phosphorus, or sediment concentrations; maximizing profit; a balance of these conditions; or a balance of these conditions with the additional constraint of converting no more than 25% of agricultural land. Scenario results were compared to a baseline case of no land‐use conversion. BLOSM results indicate that a combined economic and environmental optimization approach can achieve multiple objectives simultaneously when a small proportion (1.3%) of the LLT watershed is planted with perennial switchgrass. The multimetric optimization approach described here can be used as a research tool to consider bioenergy plantings for other feedstocks, sustainability criteria, and regions. Published in 2012 by John Wiley & Sons, Ltd
Intelligent Diagnosing of Intellectual Disabilities in Offenders: Food for Thought
Authors: Uzieblo Katarzyna , Winter Jan , Vanderfaeillie Johan , Rossi Gina , Magez Walter 
Published: January 2012

AbstractResearch on offenders with intellectual disabilities (IDs) in the criminal justice arena is on the rise, reflected by a growing number of relevant publications each year. However, there is a long recognized methodological problem that hampers the comparability of empirical studies and that raises doubts about the accuracy of prevalence rates, comorbidities, and various correlates and characteristics. In this paper we will argue that the crux of the problem can, on the one hand, be found in the plurality of assessment methods for intelligence and adaptive functioning, which are not all sufficiently reliable and valid. On the other hand, assessment of IQ in criminal justice and mental health‐related areas appears to be informed more by practical aspects and needs rather than grounded in a solid theoretical model. Hence, we suggest that the Cattell–Horn–Carroll (CHC) model of intelligence has potential value in this regard, and deserves a closer look. Finally, we will discuss its incorporation into, and possible implications for, criminal justice practice and future study designs. Copyright © 2012 John Wiley & Sons, Ltd.
Molecularly imprinted cryogel for L‐glutamic acid separation
Authors: Aydoğan Cemil , Andaç Muge , Bayram Engin , Say Rıdvan , Denizli Adil 
Published: January 2012

AbstractA molecular recognition based L‐glutamic acid (L‐GLU) imprinted cryogel was prepared for L‐GLU separation via chromatographic applications. The novel functional monomer N‐methacryloyl‐(L)‐glutamic acid‐Fe3+ (MAGA‐Fe3+) was synthesized to be complex with L‐GLU. The L‐GLU imprinted cryogel was prepared by free radical polymerization under semifrozen conditions in the presence of a monomer‐template complex MAGA‐Fe3+‐L‐GLU. The binding mechanism of MAGA‐Fe3+ and L‐GLU was characterized by Fourier transform infrared (FTIR) spectroscopy in detail. FTIR analyses on the synthesized MAGA‐Fe3+‐GLU complex reveals bridging bidentate and monodentate binding modes of Fe3+ in complex with the carboxylate groups of the glutamate residues. The template L‐GLU could be reversibly detached from the cryogel to form the template cavities using a 100 mM solution of HNO3. The amount of adsorbed L‐GLU was detected using the phenyl isothiocyanate method. The L‐GLU adsorption capacity of the cryogel decreased drastically from 11.3 to 6.4 μmol g−1 as the flow rate increased from 0.5 to 4.0 mL min−1. The adsorption onto the L‐GLU imprinted cryogel was highly pH dependent due to electrostatic interaction between the L‐GLU and MAGA‐Fe3+. The PHEMAGA‐Fe3+‐GLU cryogel exhibited high selectivity to the corresponding guest amino acids (i.e., D‐GLU, L‐ASN, L‐GLN, L‐, and D‐ASP). Finally, the L‐GLU imprinted cryogel was recovered and reused many times, with no significant decrease in their adsorption capacities. © 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2012
Award of Merit acceptance speech: Bridges, linchpins and membranes: From I to We
Authors: Marchionini Gary 
Published: January 2012

AbstractEditor's SummaryAccepting the ASIS&T Award of Merit for 2011, Gary Marchionini reflected on his early career in mathematics education and its synergies with information science. He observed that information scientists are connectors and that the field itself is based on establishing connectivity. We create mappings or links between elements, such as maps between search queries and documents, between databases and information objects, between concepts and taxonomies, between searchers' mental models and interfaces. Mapping such relationships is similar to a bridge spanning spaces and cultures, a linchpin coupling an engine and load, and a membrane regulating cellular transport in that each relates sets of properties. In the sphere of human interactions, relationships enable us to move from “I” to “we.” Marchionini expressed appreciation for connections made through ASIS&T and looked ahead to making and studying intellectual and social connections in the field and the organization.
Personal and professional information management
Authors: Pfeiffer Heather D. , Tonkin Emma 
Published: January 2012

AbstractEditor's SummaryManaging perceptions about personal and professional information on the social web is the focus of this Bulletin issue. Contributors offer insights on analyzing our personal presence online to determine whether it accurately reflects ourselves as we intend and on actively creating a personal knowledge profile. We can gain some control over our personal information and its unintended spread by separating social networking with personal information from professional web content and using privacy settings. The importance of user monitoring and participation is emphasized in observations about personal health records. Tools are being developed to limit software that accesses context‐aware personally identifiable information. Information sharing and reuse can perpetuate false information, though content analysis of tweets about a series of events shows that irrelevant and contradictory Twitter comments fade rapidly from circulation. Knowledge management within organizations is spotlighted to explore how enterprises learn, grow and are affected by each other in a competitive environment. The many examples presented demonstrate the urgent need to actively manage the proliferation of personal and professional information on social networks.
Analyzing personal presence on the Web and building your brand
Authors: Murdock Donyelle 
Published: January 2012

AbstractEditor's SummaryThe web is a vast collection point for data about individuals and organizations, whether true or false, flattering or misrepresentative. Since checking a person's background, credentials and professional and social circles has become routine, we should be aware of our own digital footprint and actively manage the information available about us to ensure it reflects the image we want to project. Building a personal brand online should be based on active involvement, including reading blogs in our interest areas and participating in blog discussions. It is important to use one's real name to avoid falling liable to misidentification. Having a Facebook page permits one to build and control a network, and exploring Twitter enables one to keep up with and contribute to current communications on topics of interest. By proactively building our personal brand online, we can control our identity, image and reputation in the digital world.
Knowledge gained from action and reaction learning in small and medium‐sized enterprises: Two sides of the same coin
Authors: Sarabia Maria , Obeso Maria 
Published: January 2012

AbstractEditor's SummaryIn competitive business market systems, small to medium‐sized enterprises (SMEs) interact continually as leaders and followers. SMEs can engage in active learning, leading the way and learning from the consequences, or they can learn reactively by observing and imitating rivals in their competitive environment. Integrating a theory of action learning with a theory relating learning levels with organizational change leads to the concept of reaction learning. This theoretical view of learning fits the observed behavior of SMEs in a competitive environment. Recognizing both action and reaction learning promotes better understanding of how those in the business community make strategic decisions and learn from their own experiences and from their competitors.
Want to improve your coordination? Attend to patterns
Authors: Haller Thom 
Published: January 2012

AbstractEditor's SummaryThe concept of uncoordination can apply not only to clumsiness but also to disorganization in information architecture. Confusing and disorderly information is widespread, but information can be structured to improve website clarity by recognizing and judiciously using patterns and components in information architecture. A pattern is a consistent and recurring feature, and components are reusable element packages or modules. Information architects can analyze and deconstruct a site design to identify its components and assemble them into a component library. Patterns and components simplify the site developer's process and lend consistency and visual clarity for the site visitor, resulting in a better user experience. By following simple steps for identifying patterns and components across a web site, information architects can bring coordination and structure to the overall site.
Nanoscale Biocoordination Polymers: Novel Materials from an Old Topic
Authors: Liu Yaling , Tang Zhiyong 
Published: January 2012

AbstractNature bestows many gifts upon us, among which countless biomolecules have the ability to bridge metal ions and exert the important function in biology. By taking advantage of specific interactions between metal ions and biomolecules, this article highlights a novel concept for construction of nanoscale biocoordination polymers through replacement of synthetic organic molecules with natural biomolecules as building blocks. The most recent advances are summarized and future challenges are discussed. It can be anticipated that nanoscale biocoordination polymers will become a diverse and rapidly growing class of novel materials and potentially lead to a breakthrough in biological applications.
Synthesis of Uniform Layered Protonated Titanate Hierarchical Spheres and Their Transformation to Anatase TiO2 for Lithium‐Ion Batteries
Authors: Wu Hao Bin , Lou Xiong Wen (David) , Hng Huey Hoon 
Published: January 2012

AbstractLayered protonated titanates (LPTs), a class of interesting inorganic layered materials, have been widely studied because of their many unique properties and their use as precursors to many important TiO2‐based functional materials. In this work, we have developed a facile solvothermal method to synthesize hierarchical spheres (HSs) assembled from ultrathin LPT nanosheets. These LPT hierarchical spheres possess a porous structure with a large specific surface area and high stability. Importantly, the size and morphology of the LPT hierarchical spheres are easily tunable by varying the synthesis conditions. These LPT HSs can be easily converted to anatase TiO2 HSs without significant structural alteration. Depending on the calcination atmosphere of air or N2, pure anatase TiO2 HSs or carbon‐supported TiO2 HSs, respectively, can be obtained. Remarkably, both types of TiO2 HSs manifest excellent cyclability and rate capability when evaluated as anode materials for high‐power lithium‐ion batteries.
100 Picosecond Diffraction Catches Structural Transients of Laser‐Pulse Triggered Switching in a Spin‐Crossover Crystal
Authors: Collet Eric , Lorenc Maciej , Cammarata Marco , Guérin Laurent , Servol Marina , Tissot Antoine , Boillot Marie‐Laure , Cailleau Hervé , Buron‐Le Cointe Marylise 
Published: January 2012

AbstractWe study by 100 picosecond X‐ray diffraction the photo‐switching dynamics of single crystal of the orthorhombic polymorph of the spin‐crossover complex [(TPA)Fe(TCC)]PF6, in which TPA=tris(2‐pyridyl methyl)amine, TCC2−=3,4,5,6‐Cl4‐Catecholate2−. In the frame of the emerging field of dynamical structural science, this is made possible by using optical pump/X‐ray probe techniques, which allow following in real time structural reorganization at intra‐ and intermolecular levels associated with the change of spin state in the crystal. We use here the time structure of the synchrotron radiation generating 100 picosecond X‐ray pulses, coupled to 100 fs laser excitation. This study has revealed a rich variety of structural reorganizations, associated with the different steps of the dynamical process. Three consecutive regimes are evidenced in the time domain: 1) local molecular photo‐switching with structural reorganization at constant volume, 2) volume relaxation with inhomogeneous distribution of local temperatures, 3) homogenization of the crystal in the transient state 100 µs after laser excitation. These findings are fundamentally different from those of conventional diffraction studies of long‐lived photoinduced high spin states. The time‐resolution used here with picosecond X‐ray diffraction probes different physical quantities on their intrinsic time‐scale, shedding new light on the successive processes driving macroscopic switching in a functionalized material. These results pave the way for structural studies away from equilibrium and represent a first step toward femtosecond crystallography.
Tuning the Physicochemical Properties of Diverse Phenolic Ionic Liquids for Equimolar CO2 Capture by the Substituent on the Anion
Authors: Wang Congmin , Luo Huimin , Li Haoran , Zhu Xiang , Yu Bo , Dai Sheng 
Published: January 2012

AbstractPhenolic ionic liquids for the efficient and reversible capture of CO2 were designed and prepared from phosphonium hydroxide and substituted phenols. The electron‐withdrawing or electron‐donating ability, position, and number of the substituents on the anion of these ionic liquids were correlated with the physicochemical properties of the ionic liquids. The results show that the stability, viscosity, and CO2‐capturing ability of these ionic liquids were significantly affected by the substituents. Furthermore, the relationship between the decomposition temperature, the CO2‐absorption capacity, and the basicity of these ionic liquids was quantitatively correlated and further rationalized by theoretical calculation. Indeed, these ionic liquids showed good stability, high absorption capacity, and low absorption enthalpy for CO2 capture. This method, which tunes the physicochemical properties by making use of substituent effects in the anion of the ionic liquid, is important for the design of highly efficient and reversible methods for CO2‐capture. This CO2 capture process using diverse phenolic ionic liquids is a promising potential method for CO2 absorption with both high absorption capacity and good reversibility.
On the Mechanism of the Palladium‐Catalyzed β‐Arylation of Ester Enolates
Authors: Larini Paolo , Kefalidis Christos E. , Jazzar Rodolphe , Renaudat Alice , Clot Eric , Baudoin Olivier 
Published: January 2012

AbstractThe palladium‐catalyzed β‐arylation of ester enolates with aryl bromides was studied both experimentally and computationally. First, the effect of the ligand on the selectivity of the α/β‐arylation reactions of ortho‐ and meta‐fluorobromobenzene was described. Selective β‐arylation was observed for the reaction of o‐fluorobromobenzene with a range of biarylphosphine ligands, whereas α‐arylation was predominantly observed with m‐fluorobromobenzene for all ligands except DavePhos, which gave an approximate 1:1 mixture of α‐/β‐arylated products. Next, the effect of the substitution pattern of the aryl bromide reactant was studied with DavePhos as the ligand. We showed that electronic factors played a major role in the α/β‐arylation selectivity, with electron‐withdrawing substituents favoring β‐arylation. Kinetic and deuterium‐labeling experiments suggested that the rate‐limiting step of β‐arylation with DavePhos as the ligand was the palladium–enolate‐to‐homoenolate isomerization, which occurs by a βH‐elimination, olefin‐rotation, and olefin‐insertion sequence. A dimeric oxidative‐addition complex, which was shown to be catalytically competent, was isolated and structurally characterized. A common mechanism for α‐ and β‐arylation was described by DFT calculations. With DavePhos as the ligand, the pathway leading to β‐arylation was kinetically favored over the pathway leading to α‐arylation, with the palladium–enolate‐to‐homoenolate isomerization being the rate‐limiting step of the β‐arylation pathway and the transition state for olefin insertion its highest point. The nature of the rate‐limiting step changed with PCy3 and PtBu3 ligands, and with the latter, α‐arylation became kinetically favored. The trend in selectivity observed experimentally with differently substituted aryl bromides agreed well with that observed from the calculations. The presence of electron‐withdrawing groups on these bromides mainly affected the α‐arylation pathway by disfavoring CC reductive elimination. The higher activity of the ligands of the biaryldialkylphosphine ligands compared to their corresponding trialkylphosphines could be attributed to stabilizing interactions between the biaryl backbone of the ligands and the metal center, thereby preventing deactivation of the β‐arylation pathway.
Monodisperse REPO4 (RE=Yb, Gd, Y) Hollow Microspheres Covered with Nanothorns as Affinity Probes for Selectively Capturing and Labeling Phosphopeptides
Authors: Cheng Gong , Zhang Ji‐Lin , Liu Yan‐Lin , Sun De‐Hui , Ni Jia‐Zuan 
Published: January 2012

AbstractRare‐earth phosphate microspheres with unique structures were developed as affinity probes for the selective capture and tagging of phosphopeptides. Prickly REPO4 (RE=Yb, Gd, Y) monodisperse microspheres, that have hollow structures, low densities, high specific surface areas, and large adsorptive capacities were prepared by an ion‐exchange method. The elemental compositions and crystal structures of these affinity probes were confirmed by energy‐dispersive spectroscopy (EDS), powder X‐ray diffraction (XRD), and Fourier‐transform infrared (FTIR) spectroscopy. The morphologies of these compounds were investigated using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and nitrogen‐adsorption isotherms. The potential ability of these microspheres for selectively capturing and labeling target biological molecules was evaluated by using protein‐digestion analysis and a real sample as well as by comparison with the widely used TiO2 affinity microspheres. These results show that these porous rare‐earth phosphate microspheres are highly promising probes for the rapid purification and recognition of phosphopeptides.
ChemInform Abstract: Rational Syntheses and Structural Characterization of Sulfur‐Rich Phosphorus Polysulfides: α‐P2S7 and β‐P2S7.
Authors: Roedl Thomas , Weihrich Richard , Wack Julia , Senker Juergen , Pfitzner Arno 
Published: January 2012

AbstractThe polysulfides α‐ and β‐P2S7 are synthesized by heating stoichiometric mixtures of P4S3 and sulfur in the presence of catalytic amounts of anhydrous FeCl3 as mineralizer (evacuated silica tube, 250 °C, 10 d).
ChemInform Abstract: Effect of Alkali‐Metal Ions on the Local Structure and Luminescence for Double Tungstate Compounds AEu(WO4)2 (A: Li, Na, K).
Authors: Huang Jinping , Xu Jun , Luo Hongshan , Yu Xibin , Li Yikang 
Published: January 2012

AbstractThe title compounds are synthesized by solid state reactions of NaHCO3, Li2CO3, or K2WO4, WO3, and Eu2O3 (porcelain crucible, 750 °C, 10 h).
ChemInform Abstract: Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double‐Tunnel Tellurides: AxLn2Cu6‐xTe6 (A: K—Cs; Ln: La—Nd).
Authors: Meng Chang‐Yu , Chen Hong , Wang Peng , Chen Ling 
Published: January 2012

AbstractThe new compounds Cs0.75La2Cu5.25Te6, Cs0.77Ce2Cu5.23Te6, Cs0.73Pr2Cu5.27Te6, Cs0.75Nd2Cu5.25Te6, Rb0.72La2Cu5.29Te6, Rb0.71Ce2Cu5.29Te6, Rb0.65Pr2Cu5.35Te6, Rb0.70Nd2Cu5.30Te6, K0.73La2Cu5.27Te6, K0.73Ce2Cu5.27Te6, K0.76Pr2Cu5.24Te6, and K0.77Nd2Cu5.23Te6 are synthesized from the elements in a reactive MCl flux (M: K—Cs) at 1123 K.
ChemInform Abstract: Synthesis, Crystal Structure and Magnetic Properties of the Open Framework Compound Co3Te2O2(PO4)2 (OH)4.
Authors: Zimmermann Iwan , Kremer Reinhard K. , Johnsson Mats 
Published: January 2012

AbstractSingle crystals of the title compound are hydrothermally synthesized from a mixture of CoCl2, TeO2, NH4H2PO4, and H2O (autoclave, 180 °C, 7 d).
ChemInform Abstract: New 8‐Layer Twinned Hexagonal Perovskite Microwave Dielectric Ceramics Ba8Ga4‐xTa4+0.6xO24.
Authors: Cao Jiang , Kuang Xiaojun , Allix Mathieu , Dickinson Calum , Claridge John B. , Rosseinsky Matthew J. , Iddles David M. , Su Qiang 
Published: January 2012

AbstractThe title perovskite (0 ≤ x ≤ 3.6) is synthesized from stoichiometric amounts of BaCO3, Ga2O3, and Ta2O5 (1200 °C for 12 h and 1450 °C for 24 h).
ChemInform Abstract: Synthesis, Structural and Electrical Characterizations of DySr5Ni2.4Cu0.6O12‐ δ.
Authors: Hamdi S. , Ouni S. , Chaker H. , Rohlicek J. , Ben Hassen R. 
Published: January 2012

AbstractThe new title compound is synthesized by a sol—gel method from stoichiometric amounts of Nd2O3, SrCO3, NiO, and CuO dissolved in an aqueous nitric acid solution containing citric acid and ethylene glycol followed by calcination of the resulting product at 1173 K for 24 h in an alumina crucible, and annealing under flowing Ar at 1473 K for 8 d.
ChemInform Abstract: Carbon—Carbon Bond‐Forming Reactions of α‐Carbonyl Carbocations: Exploration of a Reversed‐Polarity Equivalent of Enolate Chemistry.
Authors: Lai Ping‐Shan , Dubland Joshua A. , Sarwar Mohammed G. , Chudzinski Michael G. , Taylor Mark S. 
Published: January 2012

AbstractSilver‐promoted ionization of α‐halocarbonyl compounds generates the corresponding α‐carbonyl carbocations which smoothly react with simple (het)arenes as nucleophiles to give diarylcarbonyl compounds, e.g. (III), (V)/(VI) and (XII).
ChemInform Abstract: Regioselective Synthesis of β‐Iodo‐enamides and β‐Yn‐enamides.
Authors: Pasqua Adele E. , Thomas Lynne H. , Crawford James J. , Marquez Rodolfo 
Published: January 2012

AbstractChromium‐mediated olefination of N‐formyl imides with iodoform provides an efficient access towards β‐iodoenamides.
ChemInform Abstract: New Reactivity of Oxaziridine: Pd(II)‐Catalyzed Aromatic C—H Ethoxycarbonylation via C—C Bond Cleavage.
Authors: Peng Xingao , Zhu Yingguang , Ramirez Thomas A. , Zhao Baoguo , Shi Yian 
Published: January 2012

AbstractA variety of substrates can be used with success in the reaction with (II).
ChemInform Abstract: syn‐Selective Asymmetric Cross‐Aldol Reactions Between Aldehydes and Glyoxylic Acid Derivatives Catalyzed by an Axially Chiral Amino Sulfonamide.
Authors: Kano Taichi , Noishiki Akira , Sakamoto Ryu , Maruoka Keiji 
Published: January 2012

AbstractThe cross‐aldol products (III), (V) and (VII) are highly functionalized and readily converted to synthetically useful and important chiral building blocks such as γ‐lactone (VIII) and γ‐lactam (X).