bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Au(I)/Ag(I)‐Catalyzed Cascade Approach for the Synthesis of Benzo[4,5]imidazo[1,2‐c]pyrrolo[1,2‐a]quinazolinones.
Authors: Ji Xun , Zhou Yu , Wang Jinfang , Zhao Linxiang , Jiang Hualiang , Liu Hong 
Published: August 2013

AbstractThe method provides a facile and efficient access to various title compounds including homologues of type (VIII).
ChemInform Abstract: Hydrogen‐Bond‐Directed Enantioselective Decarboxylative Mannich Reaction of β‐Ketoacids with Ketimines: Application to the Synthesis of anti‐HIV Drug DPC 083.
Authors: Yuan Hai‐Na , Wang Shuai , Nie Jing , Meng Wei , Yao Qingwei , Ma Jun‐An 
Published: August 2013

AbstractThis is the first hydrogen‐bond‐directed enantioselective decarboxylative Mannich reaction of β‐ketoacids with ketimines affording quinazolinone derivatives with quaternary stereocenters in high yields and with excellent enantioselectivities using saccharide‐based amino‐thiourea organocatalysts.
ChemInform Abstract: Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2‐Substituted 3,5‐Dichloropyrazines.
Authors: Scales Stephanie , et al. et al. 
Published: August 2013

AbstractAn electron‐withdrawing group in 2‐position of the pyrazine directs the nucleophilic attack preferentially to the 5‐position, whereas electron‐donating groups in 2‐position promote the substitution at the 3‐position.
ChemInform Abstract: Diversely Substituted Triazolo[1,5‐a][1,4]benzodiazepinones: A Post‐Ugi Copper‐Catalyzed Tandem Azide—Alkyne Cycloaddition/Ullmann C—N Coupling Approach.
Authors: Vachhani Dipak D. , Kumar Amit , Modha Sachin G. , Sharma Sunil K. , Parmar Virinder S. , Van der Eycken Erik V. 
Published: August 2013

AbstractThe authors also describe the synthesis of the Ugi four‐component reaction adducts (I), (III), and (V).
ChemInform Abstract: Synthesis of Macrocyclic Ketones Exploiting Palladium‐Catalyzed Activation of Carboxylic Acids as an Enabling Step.
Authors: Kapdi Anant R. , Fairlamb Ian J. S. 
Published: August 2013

AbstractA novel synthesis of macrocyclic arylketones via Pd‐catalyzed cross‐coupling of arylboronic acids and carboxylic acids, either before or in situ activated by the treatment with disuccinimidyl carbonate, is disclosed.
ChemInform Abstract: Daphnane‐Type Diterpenes with Inhibitory Activities Against Human Cancer Cell Lines from Daphne genkwa.
Authors: Li Feifei , Sun Qian , Hong Lili , Li Lingzhi , Wu Yingying , Xia Mingyu , Ikejima Takshi , Peng Ying , Song Shaojiang 
Published: August 2013

AbstractFour new daphnane‐type diterpenes, genkwadanes A‐D (I)—(IV), resp., are isolated along with 19 known compounds from the flower buds of Daphne genkwa.
ChemInform Abstract: Synthesis of Fluorinated exo‐Glycals Through Modified Julia Olefination.
Authors: Habib Samuel , Larnaud Florent , Pfund Emmanuel , Lequeux Thierry , Fenet Bernard , Goekjian Peter G. , Gueyrard David 
Published: August 2013

AbstractBoth the protecting groups as well as the presence of BF3·Et2O influence yield and E/Z selectivity of the reaction.
ChemInform Abstract: Stannylene‐Mediated Regioselective 6‐O‐Glycosylation of Unprotected Phenyl 1‐Thioglycopyranosides.
Authors: Maggi Agnese , Madsen Robert 
Published: August 2013

AbstractThe procedure is described to prepare various 1→6‐linked disaccharide thioglycosides and consequently oligosaccharides.
ChemInform Abstract: Synthesis of Indoloazocine Derivatives from a Chiral Indole Amide Stabilized Sulfur Ylide.
Authors: Juarez‐Calderon Maira , Aparicio David M. , Gnecco Dino , Juarez Jorge R. , Orea Laura , Mendoza Angel , Sartillo‐Piscil Fernando , del Olmo Esther , Teran Joel L. 
Published: August 2013

AbstractThe reaction of sulfur ylide (I) with aldehydes is optimized to afford diastereomeric trans‐epoxides (III) selectively.
ChemInform Abstract: Discovery of a Synthetic Aminopeptidase N Inhibitor LB‐4b as a Potential Anticancer Agent.
Authors: Su Li , Jia Yuping , Wang Xuejian , Zhang Lei , Fang Hao , Xu Wenfang 
Published: August 2013

AbstractThe title compound (I) is synthesized starting from benzyl amine and evaluated for its antiinvasion and antiangiogenesis effects.
ChemInform Abstract: 1,2,4,5‐Tetrazines and Azolo[1,2,4,5]tetrazines: Synthesis and Reactions with Nucleophiles
Authors: Tolshchina S. G. , Rusinov G. L. , Charushin V. N. 
Published: August 2013

AbstractReview: literature data published predominantly from 1995 until 2012; 133 refs.
ChemInform Abstract: Nitrogen‐Containing Privileged Structures and Their Solid‐Phase Combinatorial Synthesis
Authors: Verma Amit , Yadav Mange Ram , Giridhar Rajani , Prajapati Navnit , Tripathi Avinash C. , Saraf Shailendra K. 
Published: August 2013

AbstractReview: 240 refs.
Clinical Utility of a Novel Coronary Heart Disease Risk‐Assessment Test to Further Classify Intermediate‐Risk Patients
Authors: Solomon Matthew D. , Tirupsur Ahalya , Hytopoulos Evangelos , Beggs Michael , Harrington Douglas S. , French Cynthia , Quertermous Thomas 
Published: August 2013

AbstractBackgroundCurrent coronary heart disease (CHD) risk assessments inadequately assess intermediate‐risk patients, leaving many undertreated and vulnerable to heart attacks. A novel CHD risk‐assessment (CHDRA) tool was developed for intermediate‐risk stratification using biomarkers and established risk factors to significantly improve CHD risk discrimination.HypothesisPhysicians will change their treatment plan in response to more information about a patient's CHD risk level provided by the CHDRA test.MethodsA Web‐based survey of cardiology, internal medicine, family practice, and obstetrics/gynecology physicians (n = 206) was conducted to assess the CHDRA clinical impact. Each physician was shown 3 clinical vignettes representing community‐based cohort participants randomly selected from 8 total vignettes. For each, the physicians assessed the individual's CHD risk and selected preferred therapies based on the individual's comorbidities, physical examination, and laboratory results. The individual's CHDRA score was then provided and the physicians were queried for changes to their initial treatment plans.ResultsAfter obtaining the CHDRA result, 70% of the physician responses indicated a change to the patient's treatment plan. The revised lipid‐management plans agreed more often (74.6% of the time) with the current Adult Treatment Panel III guidelines than did the original plans (57.6% of the time). Most physicians (71.3%) agreed with the statement that the CHDRA result provided information that would impact their current treatment decisions.ConclusionsThe CHDRA test provided additional information to which physicians responded by more often applying appropriate therapy and actions aligned with guidelines, thus demonstrating the clinical utility of the test.
CONFECT: Conformations from an Expert Collection of Torsion Patterns
Authors: Schärfer Christin , Schulz‐Gasch Tanja , Hert Jérôme , Heinzerling Lennart , Schulz Benjamin , Inhester Therese , Stahl Martin , Rarey Matthias 
Published: August 2013

AbstractThe generation of sets of low‐energy conformations for a given molecule is a central task in drug design. Herein we present a new conformation generator called CONFECT that builds on our previously published library of torsion patterns. Conformations are generated as well as ranked by means of normalized frequency distributions derived from the Cambridge Structural Database (CSD). Following an incremental construction approach, conformations are selected from a systematic enumeration within energetic boundaries. The new tool is benchmarked in several different ways, indicating that it allows the efficient generation of high‐quality conformation ensembles. These ensembles are smaller than those produced by state‐of‐the‐art tools, yet they effectively cover conformational space.
Evaluating Prodrug Strategies for Esterase‐Triggered Release of Alcohols
Authors: Perez Christian , Daniel Kevin B. , Cohen Seth M. 
Published: August 2013

AbstractProdrugs are effective tools in overcoming drawbacks typically associated with drug formulation and delivery. Those employing esterase‐triggered functional groups are frequently utilized to mask polar carboxylic acids and phenols, increasing drug‐like properties such as lipophilicity. Herein we detail a comprehensive assessment for strategies that effectively release hydroxy and phenolic moieties in the presence of an esterase. Matrix metalloproteinases (MMPs) serve as our proof‐of‐concept target. Three distinct ester‐responsive protecting groups are incorporated into MMP proinhibitors containing hydroxy moieties. Analytical evaluation of the proinhibitors demonstrates that the use of a benzyl ether group appended to the esterase trigger leads to considerably faster kinetics of conversion and enhanced aqueous stability when compared with more conventional approaches where the trigger is directly attached to the inhibitor. Biological assays confirm that all protecting groups effectively cleave in the presence of esterase to generate the active inhibitor. The superior reaction‐based prodrug strategies presented here should serve as a platform for esterase‐responsive prodrug design in the future.
In silico Optimization of a Fragment‐Based Hit Yields Biologically Active, High‐Efficiency Inhibitors for Glutamate Racemase
Authors: Whalen Katie L. , Chau Anthony C. , Spies M. Ashley 
Published: August 2013

AbstractA novel lead compound for inhibition of the antibacterial drug target, glutamate racemase (GR), was optimized for both ligand efficiency and lipophilic efficiency. A previously developed hybrid molecular dynamics–docking and scoring scheme, FERM‐SMD, was used to predict relative potencies of potential derivatives prior to chemical synthesis. This scheme was successful in distinguishing between high‐ and low‐affinity binders with minimal experimental structural information, saving time and resources in the process. In vitro potency was increased approximately fourfold against GR from the model organism, B. subtilis. Lead derivatives show two‐ to fourfold increased antimicrobial potency over the parent scaffold. In addition, specificity toward B. subtilis over E. coli and S. aureus depends on the substituent added to the parent scaffold. Finally, insight was gained into the capacity for these compounds to reach the target enzyme in vivo using a bacterial cell wall lysis assay. The outcome of this study is a novel small‐molecule inhibitor of GR with the following characteristics: Ki=2.5 μM, LE=0.45 kcal mol−1 atom−1, LiPE=6.0, MIC50=260 μg mL−1 against B. subtilis, EC50, lysis=520 μg mL−1 against B. subtilis.
Octahedral Noble‐Metal Nanoparticles and Their Electrocatalytic Properties
Authors: Wang Chenyu , Fang Jiye 
Published: August 2013

AbstractOctahedrally shaped noble‐metal nanocrystals are fascinating for their unique properties, such as electrocatalytic, catalytic, plasmonic, and optical behavior, owing to their exclusively exposed {111} facets; Oh symmetric structure; and close‐packed surface atoms in low‐index surface categories, which are normally stable in a reaction. A series of protocols in the preparation of noble‐metal nano‐octahedra through a wet‐chemical synthetic strategy have been developed in recent years. Herein, advances in synthetic approaches and mechanistic studies of noble‐metal nano‐octahedra are systematically discussed and key factors, including reduction kinetics, selective capping, and epitaxial growth, are outlined. Their unique performance as advanced electrocatalysts towards fuel‐cell reactions is highlighted as well.
Local translation in neuronal processes—in vivo tests of a “heretical hypothesis”
Authors: Perry Rotem B. , Fainzilber Mike 
Published: August 2013

ABSTRACTIntracellular trafficking and localization of mRNA is a fundamental feature of living cells, suggesting that localized mRNA translation should enable subcellular regulation of the proteome. Such localized regulation may be of particular importance in highly polarized cells such as neurons, where the requirement for a specific protein can be at a site far distant from the nucleus. Although dendritic and synaptic protein syntheses are well‐established phenomena, the apparent paucity of ribosomes in early studies on mature vertebrate axons generated significant skepticism regarding the possibility of protein synthesis within axons. Here, we summarize recent findings in genetically engineered mouse models that support a role for local translation in axonal expression of β‐actin and importin β1 in injured adult sensory neurons in vivo. These definitive confirmations of mammalian axonal protein synthesis in both transgenic and subcellular knockout models should direct further attention to the diverse roles suggested for local protein synthesis in axonal physiology. © 2013 Wiley Periodicals, Inc. Develop Neurobiol 74: 210–217, 2014
Phosphorylation of Dpsyl2 (CRMP2) and Dpsyl3 (CRMP4) is required for positioning of caudal primary motor neurons in the zebrafish spinal cord
Authors: Morimura Rii , Nozawa Keisuke , Tanaka Hideomi , Ohshima Toshio 
Published: August 2013

ABSTRACTDpysls (CRMPs) that were initially identified as mediator proteins of Semaphorin3a (Sema3a) signaling are involved in neuronal polarity and axon elongation in cultured neurons. Previous studies have shown that knockdown of neuropilin1a, one of the sema3a receptors, exhibited ectopic primary motor neurons (PMNs) outside of the spinal cord in zebrafish. However, downstream molecules of sema3a signaling involved in the positioning of motor neurons are largely unknown. Here, we addressed the role of Dpysl2 (CRMP2) and Dpysl3 (CRMP4) in the positioning of PMNs in the zebrafish spinal cord. We found that the knockdown of dpysls by antisense morpholino oligonucleotides (AMO) causes abnormal positioning of caudal primary (CaP) motor neurons outside the spinal cord. The knockdown of cdk5 and dyrk2 by AMO also caused similar phenotype in the positioning of CaP motor neurons, and this phenotype was rescued by co‐injection of phosphorylation‐mimic type dpysl2 mRNA. These results suggest that the phosphorylation of Dpysl2 and Dpysl3 by Cdk5 and Dyrk2 is required for correct positioning of CaP motor neurons in the zebrafish spinal cord. © 2013 Wiley Periodicals, Inc. Develop Neurobiol 73: 911–920, 2013
An Efficient Homogeneous Chloro–Aluminum–[N2O2] Catalyst for the Coupling of Epoxides with Carbon Dioxide
Authors: Fuchs Monica A. , Altesleben Christiane , Zevaco Thomas A. , Dinjus Eckhard 
Published: August 2013

AbstractThe coupling reaction of epoxides and CO2 is in the focus of many research activities in academia as well as in the industry. In this contribution we report on a versatile aluminum‐based homogeneous catalyst utilizing an easy‐to‐synthesize N2O2 ligand system in combination with various cocatalysts, all of them producing pure alternating poly(cyclohexene carbonate)s with Mn values in the range 10000–15000 g mol–1. This system also efficiently catalyzes the formation of propylene carbonate.
Redox‐Active Triazolium‐Derived Ligands in Nucleophilic Fe‐Catalysis – Reactivity Profile and Development of a Regioselective O‐Allylation
Authors: Klein Johannes E. M. N. , Holzwarth Michael S. , Hohloch Stephan , Sarkar Biprajit , Plietker Bernd 
Published: August 2013

AbstractTriazolium‐derived N‐heterocyclic carbene (aNHC) ligands, which are readily accessible by deprotonation of the corresponding triazolium salts, proved to be versatile ligands in diverse allylic substitution reactions. The corresponding triazolium salts are formed from azides and alkynes through the application of 1,3‐dipolar cycloaddition and N‐alkylation reactions. The unique property of these ligands is to be zwitterionic in their liberated form and to act as strong redox‐active σ‐donor ligands. By virtue of these qualities, these ligands enable the development of an unprecedented Fe‐catalyzed regioselective aryloxylation of allylic carbonates.
Catalytic Synthesis of Functional Silicon‐Stereogenic Silanes through Candida antarctica Lipase B Catalyzed Remote Desymmetrization of Silicon‐Centered Diols
Authors: Lu Xing , Li Li , Yang Wei , Jiang Kezhi , Yang Ke‐Fang , Zheng Zhan‐Jiang , Xu Li‐Wen 
Published: August 2013

AbstractA series of silicon‐containing diols are synthesized and used in lipase‐catalyzed remote desymmetrization. This synthetic method is valuable in the construction of optically active silicon‐stereogenic organosilicon compounds. Good enantioselectivities of the remote desymmetrization was achieved with Candida antarctica lipase B (CAL‐B) (up to 90:10 er).
High‐mode buckling responses of buckling‐restrained brace core plates
Authors: Wu An‐Chien , Lin Pao‐Chun , Tsai Keh‐Chyuan 
Published: August 2013

SUMMARYCyclic loading tests and finite element analyses on six novel all‐steel buckling‐restrained braces (BRBs) are conducted using different loading patterns to investigate the core plate high‐mode buckling phenomenon. The proposed BRB is composed of a core member and a pair of identical restraining members, which restrains the core member by using bolted shim spacers. The design of the proposed BRB allows the core plate to be visually inspected immediately following a major earthquake. If necessary, the pair of restraining members can be conveniently disassembled, and the damaged core plate can be replaced. Test results indicate that the proposed BRBs can sustain large cyclic strain reversals and cumulative plastic deformations in excess of 400 times the yield strain. Experimental and analytical results confirm that the high‐mode buckling wavelength is related to the core plate thickness and the applied loading patterns. The larger the axial compressive strain is applied, the shorter the high‐mode buckling wavelength would be developed. The buckling wavelength is about 12 times the core plate thickness when the high‐mode buckling shape is fully developed. However, it reduces to about 10 times the core plate thickness when a compressive core strain reaches greater than 0.03. The high‐mode bucking wavelength can be satisfactorily predicted using the proposed method or from the finite element analysis. Copyright © 2013 John Wiley & Sons, Ltd.
Reconstructing a prehistoric topography using legacy point data in a depositional environment
Authors: Vermeer Julian A. M. , Finke Peter A. , Zwertvaegher Ann , Gelorini Vanessa , Bats Machteld , Antrop Marc , Verniers Jacques , Crombé Philippe 
Published: August 2013

ABSTRACTReconstruction of past topography is an essential step towards the understanding of past landscapes in terms of biophysical patterns and processes and man–landscape interactions by archaeologists, geomorphologists, geologists and soil scientists. Landscape reconstructions can be based on process knowledge, on data, or on a combination of both. In this case study we focus on a data‐based approach, where knowledge on the geological history is used to interpret and exploit legacy data. As part of a landscape reconstruction of a large area of 584 km2a map of the elevation near 10 000 BC was produced. Starting from a present‐day grid digital elevation model (GDEM) that was filtered for human influences, we identified the thickness of accumulated sediments over the Holocene, mapped these and corrected the GDEM. To map the thickness of Holocene sediments we used 72 (OSL and14C) dated sediment samples, 731 recent profile descriptions and 3288 legacy profile descriptions. Protocols were formulated based on literature and local correlative studies to convert the legacy profile descriptions into estimates of the thickness of Holocene sediments, with an estimate of the precision. The method of Kriging with uncertain data was applied to obtain a map. Validation at 200 independent test locations with certain data showed a mean error of –6 cm and a standard deviation or error of 16 cm, which was in accordance with the estimated precision of 16 cm. The resulting map indicated zones with marked change that could be studied in more detail. Future reconstructions could employ both process knowledge and data by combining landscape genesis models with legacy data to map model errors and thus increase the quality of the reconstruction. Copyright © 2013 John Wiley & Sons, Ltd.
Effects of landfill leachate treatment on hepatopancreas of Armadillidium vulgare (Crustacea, Isopoda)
Authors: Manti Anita , Canonico Barbara , Mazzeo Roberto , Santolini Riccardo , Ciandrini Eleonora , Sisti Davide , Rocchi Marco Bruno Luigi , Nannoni Francesco , Protano Giuseppe , Papa Stefano 
Published: August 2013

Abstract

The major environmental impact of landfills is emission of pollutants via the leachate and gas pathways. The hepatopancreas of the terrestrial isopod Armadillidium vulgare (Isopoda, Crustacea, Latreille 1804) plays an important role in the bioaccumulation of contaminants, such as heavy metals. To evaluate the effects of landfill leachate treatment, 2 different approaches were applied: 1) the detection of accumulation of trace elements (As, Cd, Cr, Cu, Sb, Zn, Pb, Ni, V) in hepatopancreatic cells, and 2) the evaluation of biological effect of contaminants on fresh hepatopancreatic cells by flow-cytometric analyses. The presence of 2 different cell types (herein referred to as “small” [S] cells and “big” [B] cells, in agreement with the literature based on morphological examinations) was detected for the first time by flow cytometry, which also highlighted their different response to stress stimuli. In particular, B cells appeared more sensitive to landfill leachate treatment, being more damaged in the short term, while S cells seemed more adaptive. Furthermore, S cells could represent a pool from which they are able to differentiate into B cells. These findings were also confirmed by principal component analyses, underlining that S SYBR Green I bright cells correlate with specific chemicals (Ca, Cu, Co), confirming their resistance to stress stimuli, and suggesting that the decrease of specific cell types may prime other elements to replace them in a homeostasis-preservation framework. Environ Toxicol Chem 2013;32:2593–2601. © 2013 SETAC
Geochemical and ecotoxicological assessment of iron- and steel-making slags for potential use in environmental applications
Authors: Wendling Laura A. , Binet Monique T. , Yuan Zheng , Gissi Francesca , Koppel Darren J. , Adams Merrin S. 
Published: August 2013

Abstract

Prior to the productive use of iron- and steel-making slags as environmental amendments, a risk assessment supported by material characterization concomitant with leaching and ecotoxicological testing is necessary. Five iron- and steel-making slags were characterized geochemically, and the leachability of their elemental constituents was assessed. The toxicity of slag leachate to microalgae (Chlorella sp.), cladocerans (Ceriodaphnia dubia), and bacteria (Vibrio fischeri) was related to elemental composition. Slag leachates with the highest concentrations of dissolved elements were the most toxic (10% effective concentration [EC10] ∼1%), whereas those with the lowest concentrations of elements were the least toxic (EC10 63–85%). It was not possible to determine which elements caused the observed toxicity; however, comparisons with contaminant guidelines and published toxicity data identified several elements of potential environmental concern. Low to moderate activities were measured for radionuclides in the U and Th decay chains in slags. Based on these data, some of the slags examined herein are potentially suitable for use as environmental amendments following ≥10 times dilution to ameliorate potential toxic effects because of leachate pH. Environ Toxicol Chem 2013;32:2602–2610. © 2013 SETAC