bluuebunny/crossref_metadata_2025_split huggingface dataset:
Asymmetric Synthesis of 2‐Substituted Dihydrobenzofurans and 3‐Hydroxydihydrobenzopyrans through the Enantioselective Epoxidation of O‐Silyl‐Protected ortho‐Allylphenols
Authors: Jiang Hang , Sugiyama Takaya , Hamajima Akinari , Hamada Yasumasa 
Published: December 2010

AbstractThe Shi‐type epoxidation of O‐tert‐butyldiphenylsilyl (TBDPS) protected o‐allylphenols serves as an efficient strategy to construct the dihydrobenzofurans and dihydrobenzopyrans in up to 97% ee. This methodology led to the enantioselective synthesis of (+)‐marmesin, (−)‐(3′R)‐decursinol, and (+)‐lomatin.
The Direct Conversion of Heat to Electricity Using Multiferroic Alloys
Authors: Srivastava Vijay , Song Yintao , Bhatti Kanwal , James R. D. 
Published: December 2010

AbstractWe demonstrate a new method for the direct conversion of heat to electricity using the recently discovered multiferroic alloy, Ni45Co5Mn40Sn101. This alloy undergoes a low hysteresis, reversible martensitic phase transformation from a nonmagnetic martensite phase to a strongly ferromagnetic austenite phase upon heating. When biased by a suitably placed permanent magnet, heating through the phase transformation causes a sudden increase of the magnetic moment to a large value. As a consequence of Faraday’s law of induction, this drives a current in a surrounding circuit. Theory predicts that under optimal conditions the performance compares favorably with the best thermoelectrics. Because of the low hysteresis of the alloy, a promising area of application of this concept appears to be energy conversion at small ΔT, suggesting a possible route to the conversion of the vast amounts of energy stored on earth at small temperature difference. We postulate other new methods for the direct conversion of heat to electricity suggested by the underlying theory.
An extension of Khalatnikov's theory of Kapitsa thermal resistance
Authors: Budaev B.V. , Bogy D.B. 
Published: December 2010

AbstractThis paper develops a novel approach to Kapitsa thermal resistance which extends Khalatnikov's acoustic mismatch theory by inclusion of a previously excluded broad class of acoustic waves that violate the Sommerfeld radiation condition, which is essential for the theory of sound but is not relevant for the analysis of heat transport. This extension not only preserves the main ideas of Khalatnikov's theory but we show it also provides reasonable estimates of the Kapitsa resistance.
Network analysis of associations between serum interferon‐α activity, autoantibodies, and clinical features in systemic lupus erythematosus
Authors: Weckerle Corinna E. , Franek Beverly S. , Kelly Jennifer A. , Kumabe Marissa , Mikolaitis Rachel A. , Green Stephanie L. , Utset Tammy O. , Jolly Meenakshi , James Judith A. , Harley John B. , Niewold Timothy B. 
Published: December 2010

AbstractObjectiveInterferon‐α (IFNα) is a primary pathogenic factor in systemic lupus erythematosus (SLE), and high IFNα levels may be associated with particular clinical manifestations. The prevalence of individual clinical and serologic features differs significantly by ancestry. This study was undertaken to detect associations between clinical and serologic disease manifestations and serum IFNα activity in a large diverse SLE cohort, using multivariate and network analyses.MethodsWe studied 1,089 SLE patients (387 African American, 186 Hispanic American, and 516 European American patients). The presence or absence of individual American College of Rheumatology (ACR) clinical criteria for SLE, autoantibodies, and serum IFNα activity data were analyzed in univariate and multivariate models. Iterative multivariate logistic regression was performed in each ancestral background group separately to establish the network of associations between variables that were independently significant following Bonferroni correction.ResultsIn all ancestral backgrounds, high IFNα activity was associated with anti‐Ro and anti–double‐stranded DNA antibodies (P = 4.6 × 10−18 and P = 2.9 × 10−16, respectively). Younger age, non‐European ancestry, and anti‐RNP were also independently associated with increased serum IFNα activity (P ≤ 6.7 × 10−4). We found 14 unique associations between variables in network analysis, and only 7 of these associations were shared among >1 ancestral background. Associations between clinical criteria were different for different ancestral backgrounds, while autoantibody–IFNα relationships were similar across backgrounds. IFNα activity and autoantibodies were not associated with ACR clinical features in multivariate models.ConclusionOur findings indicate that serum IFNα activity is strongly and consistently associated with autoantibodies, and not independently associated with clinical features in SLE. IFNα may be more relevant to humoral tolerance and initial pathogenesis than later clinical disease manifestations.
Macrophage migration inhibitory factor regulates neutrophil chemotactic responses in inflammatory arthritis in mice
Authors: Santos Leilani L. , Fan Huapeng , Hall Pam , Ngo Devi , Mackay Charles R. , Fingerle‐Rowson Gunter , Bucala Richard , Hickey Michael J. , Morand Eric F. 
Published: December 2010

AbstractObjectiveMacrophage migration inhibitory factor (MIF) facilitates multiple aspects of inflammatory arthritis, the pathogenesis of which has been significantly linked to the activity of neutrophils. The effects of MIF on neutrophil recruitment are unknown. This study was undertaken to investigate the contribution of MIF to the regulation of neutrophil chemotactic responses.MethodsK/BxN serum‐transfer arthritis was induced in wild‐type (WT), MIF−/−, and monocyte chemotactic protein 1 (MCP‐1; CCL2)–deficient mice as well as in WT mice treated with monoclonal antibodies to cytokine‐induced neutrophil chemoattractant (anti‐KC). Leukocyte trafficking in vivo was examined using intravital microscopy, and neutrophil function in vitro was examined using migration chambers and assessment of MAP kinase activation.ResultsK/BxN serum‐transfer arthritis was markedly attenuated in MIF−/− mice, with reductions in the clinical and histologic severity of arthritis and the synovial expression of KC and interleukin‐1. Arthritis was also reduced by anti‐KC antibody treatment, but not in MCP‐1–deficient mice. In vivo, neutrophil recruitment responses to KC were reduced in MIF−/− mice. Similarly, MIF−/− mouse neutrophils exhibited reduced chemotactic responses to KC in vitro, despite displaying unaltered chemokine receptor expression. Reduced chemotactic responses of MIF−/− mouse neutrophils were associated with reduced phosphorylation of p38 and ERK MAP kinases.ConclusionThese findings suggest that MIF promotes neutrophil trafficking in inflammatory arthritis via facilitation of chemokine‐induced migratory responses and MAP kinase activation. Therapeutic MIF inhibition could limit synovial neutrophil recruitment.
Chiral Iridium Spiro Aminophosphine Complexes: Asymmetric Hydrogenation of Simple Ketones, Structure, and Plausible Mechanism
Authors: Xie Jian‐Bo , Xie Jian‐Hua , Liu Xiao‐Yan , Zhang Qian‐Qian , Zhou Qi‐Lin 
Published: December 2010

AbstractThe iridium complexes of chiral spiro aminophophine ligands, especially the ligand with 3,5‐di‐tert‐butylphenyl groups on the P atom (1c) were demonstrated to be highly efficient catalysts for the asymmetric hydrogenation of alkyl aryl ketones. In the presence of KOtBu as a base and under mild reaction conditions, a series of chiral alcohols were synthesized in up to 97 % ee with high turnover number (TON up to 10 000) and high turnover frequency (TOF up to 3.7×104 h−1). Investigation on the structures of the iridium complexes of ligands (R)‐1a and 1c by X‐ray analyses disclosed that the 3,5‐di‐tert‐butyl groups on the P‐phenyl rings of the ligand are the key factor for achieving high activity and enantioselectivity of the catalyst. Study of the catalysts generated from the Ir‐(R)‐1c complex and H2 by means of ESI‐MS and NMR spectroscopy indicated that the early formed iridium dihydride complex with one (R)‐1c ligand was the active species, which was slowly transformed into an inactive iridium dihydride complex with two (R)‐1c ligands. A plausible mechanism for the reaction was also suggested to explain the observations of the hydrogenation reactions.
Long-term global quality of life in patients treated for colorectal liver metastases
Authors: Wiering B , Oyen W J G , Adang E M M , van der Sijp J R M , Roumen R M , de Jong K P , Ruers T J M , Krabbe P F M 
Published: December 2010

Abstract

Background
Surgical treatment of colorectal liver metastases has become increasingly aggressive. The influence of this more active surgical approach on patients' health-related quality of life (HRQoL) has hardly been evaluated. This study investigated the impact of surgical and systemic treatment on HRQoL in patients undergoing hepatic resection for colorectal metastases.

Methods
A total of 145 patients with colorectal liver metastases were entered prospectively into the study. Based on HRQoL values derived from the EuroQol—5D, health summary measures were calculated to express the overall impact on four distinct clinical states. The HRQoL instrument was used at baseline, 3 and 6 weeks after surgery, and every 3 months thereafter for up to 3 years.

Results
Patients showed a clear deterioration in HRQoL in the first weeks after surgery, followed by a recovery to baseline levels at 3 months after potentially curative surgery. In contrast, a sustained decline was noted when initial surgery for colorectal liver metastases was considered futile and palliative chemotherapy was started immediately. Three years after initial surgery, there were distinct differences in HRQoL between patients with or without recurrence. The latter group still had HRQoL scores at baseline levels, whereas patients with tumour recurrence showed a significant deterioration in HRQoL. Remarkably, there was no decline in HRQoL in patients with recurrent disease who could be treated by secondary surgical intervention.

Conclusion
Superior overall HRQoL in the first 3 years after initial successful surgical intervention merits an aggressive surgical approach and intensive follow-up to detect recurrence early.
Screening 64 cultivars Catharanthus roseus for the production of vindoline, catharanthine, and serpentine
Authors: Chung Ill‐Min , Kim Eun‐Hye , Li Mai , Peebles Christie A. M. , Jung Woo‐Suk , Song Hog‐Keun , Ahn Joung‐Kuk , San Ka‐Yiu 
Published: December 2010

AbstractThe leaves of Catharanthus roseus (L.) G. Don. are a valuable source of the terpenoid indole alkaloid (TIA) anticancer drugs, vinblastine and vincristine. In particular, the precursor molecules vindoline and catharanthine are harvested from leaves and used for the semisynthetic production of vinblastine and vincristine. Because of this application, catharanthine and vindoline can be used to screen for high‐yielding TIA cultivars. In this study, we compared the TIA concentrations in the leaves of 64 different cultivars of C. roseus in the soil experiments. The highest concentration of serpentine was found in Cooler Rose Hot (461 ± 46 μg/g DW). Concentrations of vindoline (2082 ± 113 μg/g DW) and catharanthine (2903 ± 384 μg/g DW) were highest in Pacifica Peach. To eliminate the abiotic and biotic effects of the soils on the plant growth, sterile agar experiments were performed to investigate the TIA concentrations and mRNA transcript levels of selected TIA pathway genes. Six cultivars were investigated (two each of the high level, mid level, and low level producers of TIAs). © 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2011
Chemical Variations of the Essential Oils in Flower Heads of Chrysanthemum indicum L. from China
Authors: Zhang Cong , Qin Min‐Jian , Shu Pan , Hong Jun‐Li , Lü Lin , He Dan‐Xia 
Published: December 2010

AbstractThe volatile compositions of hydrodistilled essential oils in the flower heads of Chrysanthemum indicum L. from eight populations in China were analyzed by GC/MS. A total of 169 compounds representing 88.79–99.53% of the oils were identified, and some remarkable differences were found in the constituent percentages of the eight populations. The predominant components of the essential oils were 1,8‐cineole (0.62–7.34%), (+)‐(1R,4R)‐camphor (0.17–27.56%), caryophyllene oxide (0.54–5.8%), β‐phellandrene (0.72–1.87%), (−)‐(1S,2R,4S)‐borneol acetate (0.33–8.46%), 2‐methyl‐6‐(p‐tolyl)hept‐2‐ene (0.3–8.6%), 4,6,6‐trimethylbicyclo[3.1.1]hept‐3‐en‐2‐yl acetate (0.17–26.48%), and hexadecanoic acid (0.72–15.97%). The chemotaxonomic value of the essential‐oil compositions was discussed according to the results of cluster analysis (CA) and principal‐component analysis (PCA). The eight populations were divided into five groups as different chemotypes (Groups A–E), and the scores together with the loadings revealed clearly different chemical properties of each population. In conclusion, GC/MS in combination with chemometric techniques provided a flexible and reliable method for characterizing the essential oils of different populations of C. indicum L.
Structure–Activity Relationships of Precursors and Analogs of Natural 3‐Enoyl‐tetramic Acids
Authors: Barnickel Bertram , Bayliffe Frances , Diestel Randi , Kempf Karl , Laschat Sabine , Pachali Steffen , Sasse Florenz , Schlenk Andrea , Schobert Rainer 
Published: December 2010

AbstractFragments and synthetic precursors prepared en route to the macrocyclic 3‐acyltetramic acids (=3‐acyl‐1,5‐dihydro‐4‐hydroxy‐2H‐pyrrol‐2‐ones) aburatubolactam and macrocidin A, as well as other analogs with variance in the ring heteroatom (N, O, S), and the residues at N(1), C(3), and C(5) were tested for cytotoxic and antimicrobial effects. Anticancer activity against various tumor cell lines in vitro did not necessarily require an intact pyrrolidin‐2,4‐dione ring. An acyclic β‐hydroxy‐octatrienoyl amide precursor to aburatubolactam also exhibited distinct activity with an IC50 (120 h) value of <2.5 μM. The length of 3‐oligoenoyl residues had little influence on the anticancer activity, but 3‐alka‐oligoenoyl tetramic acids were far more efficacious than their 3‐(4‐methoxycinnamoyl) congeners. N‐H‐3‐acyltetramic acids were generally more active than their N‐Me or N‐Boc analogs, unless further polar groups necessitated an increased lipophilicity for sufficient uptake. Tetronic and thiotetronic acids were far less antiproliferative in cancer cells when compared with identically substituted tetramic acids.
Noncovalent Binding of Some New Lipophilic Gadolinium  DTPA Complexes to Human Serum Albumin. A Structure–Affinity Relationship
Authors: Laurent Sophie , Vander Elst Luce , Henrotte Virginie , Muller Robert N. 
Published: December 2010

AbstractFour Gadolinium⋅DTPA complexes bearing long lipophilic alkyl chains were synthesized: two bis[amide] and two 4‐substituted derivatives. In two of them (one bis[amide] and one 4‐substituted), the alkyl chain ends with a carboxylate function. Their relaxometric properties in H2O show the self aggregation of Gd⋅DTPA‐BdodecylAmide, the better stability of the 4‐substituted derivatives vs. Zn transmetallation, and the very good stability of Gd⋅(4‐(carboxyundecylisothiourea‐Bz)DTPA). Amongst the four compounds, only Gd⋅(4‐(carboxyundecylisothiourea‐Bz)DTPA) shows a strong interaction with human serum albumin (HSA) as demonstrated by proton relaxometry and ESI mass spectrometry. These data highlight the importance of the negative charge on the alkyl chain in the context of the interaction of Gd⋅(4‐substituted DTPA) derivatives with HSA.
Reaction Site Diversity in the Reactions of Titanium Hydrazides with Organic Nitriles, Isonitriles and Isocyanates: TiNα Cycloaddition, TiNα Insertion and NαNβ Bond Cleavage
Authors: Schofield A. Daniel , Nova Ainara , Selby Jonathan D. , Schwarz Andrew D. , Clot Eric , Mountford Philip 
Published: December 2010

AbstractWe report a range of new transformations of the diamide–amine supported TiNNPh2 functional group with a variety of unsaturated substrates, along with DFT studies of the key mechanisms. Reaction of [Ti(N2Npy)(NNPh2)(py)] (4, N2Npy=(2‐NC5H4)CMe(CH2NSiMe3)2; py=pyridine) with MeCN gave the dimeric species [Ti2(N2Npy)2{μ‐NC(Me)(NNPh2)}2] through a [2+2] cycloaddition process. Reaction of 4 or [Ti(N2NMe)(NNPh2)(py)] (5, N2NMe=MeN(CH2CH2NSiMe3)2) with fluorinated benzonitriles gave the terminal hydrazonamide complexes [Ti(N2NR){NC(Ar)NNPh2}(py)] (R=py or Me; Ar=2,6‐C6H3F2 or C6F5). DFT studies showed that this proceeds through an overall [2+2] cycloaddition–reverse cycloaddition, resulting in net insertion of ArCN into the TiNα bonds of the respective hydrazides. Reaction of 4 with a mixture of MeCN and PhCCMe gave the metallacycle [Ti(N2Npy){NC(Me)C(Ph)C(Me)NNPh2}] by sequential coupling of TiNNPh2 with PhCCMe and then MeCN. A related product, [Ti(N2Npy){NC(Me)C(ArF)C(H)NNPh2}], was formed by insertion of MeCN into the TiC bond of the isolated azatitanacyclobutene [Ti(N2Npy){N(NPh2)C(H)C(ArF)}] (ArF=3‐C6H4F). Reaction of 4 with two equivalents of B(Ar)3 (Ar=C6F5) formed the zwitterionic borate [Ti(N2Npy){η2‐N(NPh2)B(Ar)3}] by electrophilic attack at Nα. Compounds 4 and 5 reacted with tBuNC and/or XylNC (Xyl=2,6‐C6H3Me2) to give the NαNβ bond cleavage products, [Ti(N2NR)(NCNR′)(NPh2)] (R=py or Me; R′=tBu or Xyl), containing metallated carbodiimide ligands. DFT studies of these reactions found an initial addition of RNC across TiNα followed by Nβ coordination, and finally complete Nα transfer from the NNPh2 to the RNC fragment. Reaction of 5 with Ar′NCE (E=O, S, Se; Ar′=2,6‐C6H3iPr2) gave the [2+2] cycloaddition products [Ti(N2NMe){N(NPh2)C(NAr′)O}(py)] and [Ti(N2NMe){N(NPh2)C(NAr′)E}] (E=S or Se), which did not undergo further transformation of the TiNNPh2 moiety.
A Combined Ligand‐ and Structure‐Based Virtual Screening Protocol Identifies Submicromolar PPARγ Partial Agonists
Authors: Vidović Dušica , Busby Scott A. , Griffin Patrick R. , Schürer Stephan C. 
Published: December 2010

AbstractPeroxisome proliferator‐activated receptor γ (PPARγ) is involved in expression of genes that control glucose and lipid metabolism. PPARγ is the molecular target of the thiazolidinedione (TZD) class of antidiabetic drugs. However, despite their clinical use these drugs are associated with numerous adverse effects, which are related to their full activation of PPARγ transcriptional responses. PPARγ partial agonists are the focus of development efforts towards second‐generation PPARγ modulators with favorable pharmacology, potent insulin sensitization without the severe full agonists’ adverse effects. In order to identify novel PPARγ partial agonist lead compounds, we developed a virtual screening protocol based on three‐dimensional ligand‐shape similarity and docking. Prioritization gave 235 compounds for experimental screening from the National Institutes of Health (NIH) Molecular Libraries Small Molecule Repository (MLSMR)—a chemical library containing 340 000 compounds. Seven novel potent partial agonists were confirmed in cell‐based transactivation and competitive binding assays. Our results illustrate a well‐designed virtual screening campaign successfully identifying novel lead compounds as potential entry points for the development of antidiabetic drugs.
Indirect Anodic Stripping Voltammetric Determination of Tl(I) and Tl(III) in the Baltic Seawater Samples Enriched in Thallium Species
Authors: Krasnodębska‐Ostręga Beata , Pałdyna Joanna , Wawrzyńska Marta , Stryjewska Ewa 
Published: December 2010

AbstractThe sensitive method DPASV with HMDE in the presence of DTPA and acetic buffer was used for determination of Tl(I) and Tl(III) in spiked seawater sample. The proposed method was based on the appropriate chemical conservation of Tl speciation. To determine the total amount of Tl, an addition of ascorbic acid to sub‐sample was necessary, but to determine Tl(I) to the second sub‐sample addition of DTPA was needed. Various factors influencing the stability of Tl(III) and electrochemical parameters were investigated. The quantification limit of 1.8 ng mL−1 Tl(I) was found for 8 min preconcentration. The procedure was validated using recovery study and HPLC ICP MS determinations.
Electrochemical Monitoring of Nucleic Acid Hybridization by Single‐Use Graphene Oxide‐Based Sensor
Authors: Muti Mihrican , Sharma Surbhi , Erdem Arzum , Papakonstantinou Pagona 
Published: December 2010

AbstractIn this paper, the application of a Graphene oxide (GRPox) integrated on single‐use pencil graphite electrode (PGE) for the enhanced monitoring of nucleic acids and for the sensitive and selective detection of the label free DNA hybridization related to Hepatitis B virus (HBV) sequences is described. Electrochemical behaviors of GRPox modified PGEs were firstly investigated using electrochemical impedance spectroscopy (EIS) and differential pulse voltammetry (DPV). The sequence selective DNA hybridization was determined voltammetrically in the case of hybridization between amino linked probe and its complementary (target), or, noncomplementary (NC), or target/mismatch (MM) mixtures (1 : 1).
Chemical Speciation of Antimony(III and V) in Water by Adsorptive Cathodic Stripping Voltammetry Using the 4‐(2‐Thiazolylazo) – Resorcinol
Authors: El‐Shahawi M. S. , Bashammakh A. S. , Al‐Sibaai A. A. , Bahaffi S. O. , Al‐Gohani E. H. 
Published: December 2010

AbstractA simple adsorptive cathodic stripping voltammetry method has been developed for antimony (III and V) speciation using 4‐(2‐thiazolylazo) – resorcinol (TAR). The methodology involves controlled preconcentration at pH 5, during which antimony(III) – TAR complex is adsorbed onto a hanging mercury drop electrode followed by measuring the cathodic peak current (Ip,c) at −0.39 V versus Ag/AgCl electrode. The plot of Ip,c versus antimony(III) concentration was linear in the range 1.35×10−9–9.53×10−8 mol L−1.The LOD and LOQ for Sb(III) were found 4.06×10−10 and 1.35×10−9 mol L−1, respectively. Antimony(V) species after reduction to antimony(III) with Na2SO3 were also determined. Analysis of antimony in environment water samples was applied satisfactorily.