bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Synthesis of [(Arylselanyl)alkyl]‐1,2,3‐triazoles by Copper‐Catalyzed 1,3‐Dipolar Cycloaddition of (Arylselanyl)alkynes with Benzyl Azides.
Authors: Saraiva Maiara T. , Seus Natalia , de Souza Diego , Rodrigues Oscar E. D. , Paixao Marcio W. , Jacob Raquel G. , Lenardao Eder J. , Perin Gelson , Alves Diego 
Published: September 2012

AbstractThe method allows the approach to a broad spectrum of target compounds, which are of high interest due to the biologically important selenium and triazole units.
ChemInform Abstract: Unusual Ozonolysis Pattern for 28‐Oxo‐2,3‐indoloallobetulin.
Authors: Kazakova O. B. , Khusnutdinova E. F. , Lobov A. N. , Zvereva T. I. , Legostaeva Yu. V. , Tolstikov G. A. , Khrustalev V. N. 
Published: September 2012

AbstractOzonolysis of 2,3‐indolotriterpenoids such as (I) is shown to be a new approach to 4‐hydroxyquinolino‐A‐nortriterpenoids.
ChemInform Abstract: Synthesis and Antiviral Evaluation of C5‐Substituted‐(1,3‐diyne)‐2′‐deoxyuridines.
Authors: Sari Ozkan , Roy Vincent , Balzarini Jan , Snoeck Robert , Andrei Graciela , Agrofoglio Luigi A. 
Published: September 2012

AbstractFourteen hitherto unknown title compounds are synthesized using a Ni—Cu cocatalyzed C‐H activation of two terminal alkynes as key step.
ChemInform Abstract: Ethyl 2,4,6‐Trihydroxybenzoate Is an Agonistic Ligand for Liver X Receptor that Induces Cholesterol Efflux from Macrophages Without Affecting Lipid Accumulation in HepG2 Cells.
Authors: Hoang Minh‐Hien , Jia Yaoyao , Jun Hee‐jin , Lee Ji‐Hae , Lee Dong‐Ho , Hwang Bang‐Yeon , Kim Woo‐Jin , Lee Hak‐Ju , Lee Sung‐Joon 
Published: September 2012

AbstractEster (I), isolated from C.biondii, displays LXR agonist activity.
ChemInform Abstract: Physical Characterization and Reactivity of the Uranyl Peroxide [UO2(η2‐O2) (H2O)2]·2H2O: Implications for Storage of Spent Nuclear Fuels.
Authors: Mallon Colm , Walshe Aurora , Forster Robert J. , Keyes Tia E. , Baker Robert J. 
Published: September 2012

AbstractThe title compound, a phase alteration product of spent nuclear fuel, is characterized by solid state cyclic voltammetry and Raman spectroscopy.
ChemInform Abstract: Design, Synthesis and Evaluation of Novel 2‐(Aminoalkyl)isoindoline‐1,3‐dione Derivatives as Dual‐Binding Site Acetylcholinesterase Inhibitors.
Authors: Ignasik Michalina , Bajda Marek , Guzior Natalia , Prinz Michaela , Holzgrabe Ulrike , Malawska Barbara 
Published: September 2012

AbstractMost of the synthesized compounds show acetylcholinesterase (AChE) inhibitory activity with derivatives (I) as the most promising candidates, which also inhibit β‐amyloid plaque formation.
ChemInform Abstract: Identification, Optimization and in vivo Evaluation of Oxadiazole DGAT‐1 Inhibitors for the Treatment of Obesity and Diabetes.
Authors: McCoull William , et al. et al. 
Published: September 2012

AbstractAn oxadiazole amide high throughput screening leads to the discovery of a novel series of diacylglycerol acyl transferase‐1 inhibitors.
ChemInform Abstract: Synthesis and SAR of Selective Small Molecule Neuropeptide Y Y2 Receptor Antagonists.
Authors: Mittapalli Gopi Kumar , Vellucci Danielle , Yang Jun , Toussaint Marion , Brothers Shaun P. , Wahlestedt Claes , Roberts Edward 
Published: September 2012

AbstractStructure—activity relationship exploration of a high throughput screening hit leads to the discovery of the highly potent NPY Y2 antagonists CYM 9484 (Ia) and CYM 9552 (Ib), possessing inhibition concentration values in the lower nanomolar range.
ChemInform Abstract: High Surface Area Crystalline Titanium Dioxide: Potential and Limits in Electrochemical Energy Storage and Catalysis
Authors: Froeschl T. , Hoermann U. , Kubiak P. , Kucerova G. , Pfanzelt M. , Weiss C. K. , Behm R. J. , Huesing N. , Kaiser U. , Landfester K. , et al. et al. 
Published: September 2012

AbstractReview: 396 refs.
ChemInform Abstract: Tumor Targeting in Photodynamic Therapy. From Glycoconjugated Photosensitizers to Glycodendrimeric One. Concept, Design and Properties
Authors: Ballut Severine , Makky Ali , Chauvin Benoit , Michel Jean‐Philippe , Kasselouri Athena , Maillard Philippe , Rosilio Veronique 
Published: September 2012

AbstractReview: 79 refs.
ChemInform Abstract: Metal—Organic Frameworks of the MIL‐101 Family as Heterogeneous Single‐Site Catalysts
Authors: Maksimchuk Nataliya V. , Zalomaeva Olga V. , Skobelev Igor Y. , Kovalenko Konstantin A. , Fedin Vladimir P. , Kholdeeva Oxana A. 
Published: September 2012

AbstractReview: 47 refs.
Strength Tests of Agglomerates Subject to Production Parameters in High Shear Mixers
Authors: Wenzel Valtentin , Abele Regine , Anlauf Harald , Nirschl Hermann , Gerl Stefan 
Published: September 2012

AbstractGranulate aus keramischen Werkstoffen werden durch die Vorgänge während der Herstellung in Intensivmischern unterschiedlich stark beansprucht. Dies hat großen Einfluss auf die entstehenden Agglomeratgrößenverteilungen. Es wurde untersucht, wie sich die Wahl von verschiedenen Mischwerkzeugen und Drehzahlen auf die Festigkeit von Agglomeraten in einem Intensivmischer auswirkt. Dazu wurden unter definierten Prozess‐ und Anlagenbedingungen in einem Intensivmischer Agglomerate hergestellt und anschließend auf ihre Festigkeit hin untersucht. Zur Bestimmung der Agglomeratfestigkeit dienten Versuche an einer Einzelkornzerkleinerungsapparatur.
White‐Light Electroluminescence with Tetraphenylethylene as Emitting Layer of Aggregation‐Induced Emissions Enhancement
Authors: Luo Jianfang , Wang Xiaohong , Wang Xiaomei , Su Wenming 
Published: September 2012

AbstractTetraphenylethylene (TPE) based molecules with easy synthesis, good thermal stability, and especially their aggregation‐induced emissions enhancement (AIEE) effect recently become attractive organic emitting materials due to their potentially practical application in OLEDs. Herein, the AIEE behaviors of tetraphenylethylene dyes (TMTPE and TBTPE) were investigated. Fabricated luminesent device using TMTPE dye as emitting layer displays two strong emitting bands: the blue emission coming from the first‐step aggregation and the yellow emission attributed to the second‐step aggregation. Thus, it can be utilized to fabricate the white‐light OLEDs (WOLEDs) of the single‐emitting‐component. A three‐layer device with the brightness of 1200 cd·m−2and current ef?ciency of 0.78 cd·A−1emits the close to white light with the CIE coordinates ofx=0.333 andy=0.358, when applied voltage from 8–13 V, verifying that the TPE‐based dyes of AIEE effect can be effectively applied in single‐emitting‐component WOLEDs fabrication.
Homology Modeling and Molecular Docking Studies of (S)‐Scoulerine 9‐O‐Methyltransferase from Coptis chinensis
Authors: Zhu Qiankun , Zhou Jiayu , Zhang Gan , Liao Hai 
Published: September 2012

Abstract(S)‐Scoulerine 9‐O‐methyltransferase (SMT), belonging to the S‐adenosyl‐L‐methionine (SAM)‐dependent O‐methyltransferase family, is an essential enzyme in the berberine biosynthetic pathways. In order to study the interactions of SMT with its substrate and further to understand the catalytic mechanism and substrate specificity, a three dimensional model of SMT from Coptis chinensis was constructed by homology modeling using the crystal structure of caffeic acid/5‐hydroxyferulic acid 3/5‐O‐methyltransferase (COMT) as a template. The three dimensional structure of SMT, which was mainly composed of α‐helices and some β‐sheets, was similar to that of COMT. In contrast with COMT, the non‐conserved residues in the substrate binding pocket of SMT might be responsible for their differences in the substrate specificity. Val119 and Asp254 in SMT were the key residues for orienting substrate for methylation as both residues had H‐bonds with (S)‐scoulerine. The methylation of (S)‐scoulerine involved deprotonation of the 9‐hydroxyl group by His253 and Asp254 in SMT followed by a nucleophilic attack on the SAM‐methyl resulting in the product, (S)‐tetrahydrocolumbamine.
Nanoscale Interfacial Activity of the Natural Lipopeptide, [Asp1, Glu5] Surfactin‐C16, and DMPC in Mixed Monolayer
Authors: Yang Ying , Zou Aihua , Song Changsheng , Mu Bozhong 
Published: September 2012

AbstractThe dimyristoylphosphatidylcholine (DMPC) and a newly isolated surfactin analogue, [Asp1, Glu5] surfactin‐C16 in mixed monolayer was studied. Surface pressure‐molecular area isotherms combined with atomic force microscopy (AFM) were used to probe the interfacial behavior of DMPC and surfactin‐C16. The results show that the miscibility between DMPC and surfactin‐C16 is dependent on surfactin molar fraction (XS) and surface pressure. The two components are partially miscible on pure water (pH=6) when XS is 0.5, indicating that there exists mutual interactions between two components. AFM images showed similar pattern in surfactin‐C16 monolayer and DMPC/surfactin‐C16 (XS=0.5) mixed monolayer. Based on the finding it is believed that DMPC would coalescent into surfactin‐C16 surface clusters in the mixed monolayer. Furthermore, the excess free energy of mixing (ΔGmex) was calculated to investigate the effect of subphase pH on the miscibility of two components in the mixed monolayer. It is found that the ΔGmex was negative on alkaline subphase (pH=10) when Xs equals to 0.75, indicating the molecular interactions between surfactin and DMPC are attractive at the condition. The results presented here suggest that hydrophobic interactions between surfactin‐C16 and DMPC play an important role in mutual interactions, and the interfacial activity was influenced by the ionization state of polar groups of surfactin‐C16.
Organocatalytic Asymmetric Double Michael Reaction of Benzofuranone with Dienones to Construct Spirocyclic Benzofuranones
Authors: Luo Xiya , Wang Liangliang , Peng Lin , Bai Jianfei , Jia Lina , Tian Fang , Xu Xiaoying , Wang Lixin 
Published: September 2012

AbstractThe enantioselective double Michael reaction of benzofuranone with dienones catalyzed by Cinchona‐based primary amines was developed. A number of optically active spirocyclic benzofuranones were obtained in up to 89% yield and 91% ee.
Mathematics of Analog‐to‐Digital Conversion
Authors: Güntürk C. Sinan 
Published: September 2012

AbstractAs the performance of digital circuits and the capacity of digital communication channels have advanced steadily over the past decades, digital signals have replaced analog signals in nearly every technological application domain, offering robustness, ever increasing quality, and speed. At the same time, many signals that we perceive audiovisually (sound and video), or measure via instrumentation (e.g., geophysical signals and medical images), are analog in their nature. Consequently, not only are the analog‐to‐digital (A/D) and digital‐to‐analog (D/A) conversion processes as crucial as ever, but also the performance of these processes must improve to meet the increasing demands at the digital processing end. Both A/D and D/A conversion is necessarily carried out via analog devices bound by physical limitations such as imprecisions and noise, which present continual technological as well as theoretical challenges to achieving this objective. This article aims to introduce some of the modern mathematical ideas, developments, and challenges in this context from the author's perspective. © 2012 Wiley Periodicals, Inc.
Fluid‐Structure Interactions: Research in the Courant Institute's Applied Mathematics Laboratory
Authors: Childress Stephen , Shelley Michael , Zhang Jun 
Published: September 2012

AbstractThe Applied Mathematics Laboratory is a research laboratory within the Mathematics Department of the Courant Institute. It was established to carry out physical experiments, modeling, and associated numerical studies in a variety of problems of interest to Courant faculty, postdocs, and graduate and undergraduate students. Most of the research to date has involved fluid mechanics, and we focus in this paper on the work that relates to the interaction of fluids with rigid, movable, or flexible bodies. © 2012 Wiley Periodicals, Inc.
Spatial‐temporal active wave computing using infrared proximity array
Authors: Koller Miklós , Cserey György 
Published: September 2012

ABSTRACTIn this paper, it is shown that the spatial‐temporal dynamics of the perceived 3D surface using an infrared proximity array gives well‐characterized spatial‐temporal dynamics at the output of the cellular nonlinear network (CNN) wave computer. For practical reasons, the continuous input is a series of consecutive infrared images, which are the consecutive states of the input stream. The spatial‐temporal dynamics of the output can be well characterized by quantitative and qualitative (specific morphology and oscillation frequency) spatial and temporal features. By processing a changing image flow as an input of the CNN wave computer, specific attributes of the input can be identified, which are unidentifiable while processing the still input images individually. Theoretical considerations were experimentally analyzed through template tuning and the depth modality of the measurement setup. Computations are performed on a CNN software simulator interfaced to an infrared proximity array. Copyright © 2012 John Wiley & Sons, Ltd.
Flow cytometric testing for paroxysmal nocturnal hemoglobinuria: CD64 is better for gating monocytes than CD33
Authors: Dalal Bakul I. , Khare Nikisha S. 
Published: September 2012

AbstractBackground:Paroxysmal nocturnal hemoglobinuria (PNH) is diagnosed by documenting partial or complete absence of glycosyl phosphatidyl inositol (GPI)‐associated ligands in neutrophils, monocytes, and red blood cells (RBCs). The monocytes can be separated by their bright expression of either CD33 or CD64. This paper compares the utility of CD33‐ vs CD64‐based monocyte gating in flow cytometric testing for PNH.Methods:One hundred and nineteen cases tested for PNH by flow cytometry were included in the study. Both the total number of monocytes and the number of GPI‐deficient monocytes gated with CD33 or CD64 were compared. The clustering pattern and any other unusual patterns were noted and investigated.Results:CD64 staining showed more distinct separation of the monocyte cluster than did CD33 staining. The difference between the number of monocytes gated by CD33 and CD64 staining ranged from –26 to +32% (median 1.60%, average 1.69%). Six patients had GPI‐deficient monocytes by both CD33‐ and CD64‐based gating, ranging from 0.02 to 83.23%. There were no patients who showed GPI‐deficient monocytes by one but not the other gating. The presence of blasts in patients with acute leukemia resulted in abnormal cluster patterns, both by CD33‐ and CD64‐based gating.Conclusions:CD64‐based gating showed more distinct clustering of monocytes than CD33‐based gating, allowing for objective separation. The number of monocytes in total and GPI‐deficient monocytes derived from both gating strategies was comparable. © 2012 International Clinical Cytometry Society
Catalytic Thermal Decomposition of Ammonia–Borane by Well‐Dispersed Metal Nanoparticles on Mesoporous Substrates Prepared by Magnetron Sputtering
Authors: Xin Gongbiao , Yang Junzhi , Li Wei , Zheng Jie , Li Xingguo 
Published: September 2012

AbstractA method to prepare well‐dispersed metal nanoparticles on mesoporous substrates has been developed that uses a magnetron sputtering technique. Pd, Ni, and Pt nanoparticles are deposited on MCM‐48, a silica‐based mesoporous material, with good dispersion. The samples prepared by this method showed promising catalytic effects on the thermodynamic and kinetic properties of ammonia–borane (AB) thermal dehydrogenation. Catalyst‐doped AB samples started to release H2 at much lower temperatures and suppressed the emission of volatile byproducts effectively. Furthermore, foaming and volume expansion can be totally avoided. The excellent catalytic performance is due to the synergetic effect of nanoconfinement of MCM‐48 and the catalytic behavior of the metal particles.
Progress in Copper‐Mediated Formation of Trifluoromethylated Arenes
Authors: Liu Tianfei , Shen Qilong 
Published: September 2012

AbstractDevelopment of transition‐metal‐catalyzed trifluoromethylation of arene substrates under mild reaction conditions has attracted great attention in the past few years. Among the many methods developed, copper‐mediated trifluororomethylation has made significant progress and is the subject of this minireview.
Diaryltrisphaeridine Derivatives: Synthesis, Experimental Electrochemical and Photophysical Properties, and Theoretical Studies
Authors: Caballero Alegría , Campos Pedro J. , Rodríguez Miguel A. 
Published: September 2012

AbstractA series of diaryltrisphaeridines have been synthesized by iodination of trisphaeridine and subsequent Suzuki coupling reactions. The photophysical and electrochemical properties of these compounds have been investigated and it has been found that they are dependent on the aryl substituents. In particular, the presence of dimethylamino groups induces a bright‐green emission, thus making this compound a promising candidate for fluorescence devices and molecular sensors. Moreover, the green emission disappears on addition of HCl and this material can therefore also be used as a sensor for protons. The results have been rationalized by DFT and TD‐DFT theoretical studies.
Making the decision to stop pain: Probability and magnitude effects of expected pain relief on the choice of analgesics
Authors: Lin C. 
Published: September 2012

AbstractBackgroundPain is a major ailment that motivates individuals to look for treatment. Despite its enormous clinical relevance, very little is known about the factors that influence our preference of an analgesic (or pain‐relieving treatment). The current study investigated the influence of the information regarding the probability and the magnitude of the expected analgesic effect on preference of analgesic options.MethodsTwenty‐four healthy volunteers were instructed to imagine pain across different scenarios and choose between two hypothetical analgesics that differed in their probabilities to successfully relieve pain and the magnitude of their expected analgesic effects. The conservative analgesic was more reliable but less potent than the radical analgesic, whereas the radical analgesic was less reliable but more potent than the conservative analgesic.ResultsConsistent with the predictions of prospect theory, a larger proportion of the participants chose the radical analgesic when the overall probability of both analgesics decreased, and when the potency of the radical analgesic was expected to be stronger relative to the conservative analgesic. At the individual level, individuals' relative imagined pain relief (radical analgesic/conservative analgesic) predicted their preference for the radical analgesic.ConclusionsOur findings revealed that preference of analgesic options is mediated by the overall probability of analgesic effect and the relative potency of analgesics. The expected relief one imagines to obtain from analgesics would guide preference. The findings highlight the importance for clinicians to understand how patients subjectively frame the probability and magnitude factors related to decision making in medical context.
3D Bioprinting of heterogeneous aortic valve conduits with alginate/gelatin hydrogels
Authors: Duan Bin , Hockaday Laura A. , Kang Kevin H. , Butcher Jonathan T. 
Published: September 2012

AbstractHeart valve disease is a serious and growing public health problem for which prosthetic replacement is most commonly indicated. Current prosthetic devices are inadequate for younger adults and growing children. Tissue engineered living aortic valve conduits have potential for remodeling, regeneration, and growth, but fabricating natural anatomical complexity with cellular heterogeneity remain challenging. In the current study, we implement 3D bioprinting to fabricate living alginate/gelatin hydrogel valve conduits with anatomical architecture and direct incorporation of dual cell types in a regionally constrained manner. Encapsulated aortic root sinus smooth muscle cells (SMC) and aortic valve leaflet interstitial cells (VIC) were viable within alginate/gelatin hydrogel discs over 7 days in culture. Acellular 3D printed hydrogels exhibited reduced modulus, ultimate strength, and peak strain reducing slightly over 7‐day culture, while the tensile biomechanics of cell‐laden hydrogels were maintained. Aortic valve conduits were successfully bioprinted with direct encapsulation of SMC in the valve root and VIC in the leaflets. Both cell types were viable (81.4 ± 3.4% for SMC and 83.2 ± 4.0% for VIC) within 3D printed tissues. Encapsulated SMC expressed elevated alpha‐smooth muscle actin, while VIC expressed elevated vimentin. These results demonstrate that anatomically complex, heterogeneously encapsulated aortic valve hydrogel conduits can be fabricated with 3D bioprinting. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2013.
A prospective study of thyroid function, bone loss, and fractures in older men: The MrOS study
Authors: Waring Avantika C , Harrison Stephanie , Fink Howard A , Samuels Mary H , Cawthon Peggy M , Zmuda Joseph M , Orwoll Eric S , Bauer Douglas C ,   for the Osteoporotic Fractures in Men (MrOS) Study
Published: September 2012

Abstract
Excess thyroid hormone is associated with increased bone loss and fracture risk in older women, but few data exist for men. We sought to determine if thyroid function is independently associated with bone loss and fracture risk in older men. Data were analyzed from the Osteoporotic Fractures in Men (MrOS) study, a cohort of community-dwelling U.S. men aged 65 years and older. Using a case-cohort design, fasting baseline serum archived at −80°C was assayed for thyroid-stimulating hormone (thyrotropin) (TSH) and free thyroxine (FT4) in 397 men with confirmed nonspine fracture, including 157 hip fractures, and 1420 randomly selected men without fracture. TSH and FT4 were analyzed as continuous variables and as thyroid function categories (subclinical hyperthyroid, euthyroid, and subclinical hypothyroid). Hip dual-energy X-ray absorptiometry (DXA) (Hologic QDR4500) was measured at baseline and after a mean follow-up of 4.6 years. Incident nonspine fractures were centrally adjudicated. Bone loss was evaluated with multivariate regression methods and fractures risk was evaluated using hazard models that accounted for the case-cohort sampling, adjusted for age, clinic-site, body mass index (BMI), race, physical activity, corticosteroid use, smoking, alcohol intake, and thyroid medication use. In fully adjusted analyses, TSH was not associated with risk of nonspine fracture (relative hazard [RH] 0.92 per SD decrease in TSH; 95% confidence interval [CI], 0.74–1.14), but was significantly associated with risk of hip fracture (RH 1.31; 95% CI, 1.01–1.71), which persisted among normal range TSH values (RH 1.21; 95% CI, 1.00–1.47). There was no association between TSH or FT4 and bone loss, and fracture risk did not differ significantly by thyroid function category. We conclude that although neither TSH nor FT4 are associated with bone loss, lower serum TSH may be associated with an increased risk of hip fractures in older men. © 2013 American Society for Bone and Mineral Research.