bluuebunny/crossref_metadata_2025_split huggingface dataset:
UPLC/ESI‐MS/MS‐based determination of metabolism of several new illicit drugs, ADB‐FUBINACA, AB‐FUBINACA, AB‐PINACA, QUPIC, 5F‐QUPIC and α‐PVT, by human liver microsome
Authors: Takayama Takahiro , Suzuki Mayu , Todoroki Kenichiro , Inoue Koichi , Min Jun Zhe , Kikura‐Hanajiri Ruri , Goda Yukihiro , Toyo'oka Toshimasa 
Published: May 2014

ABSTRACTThe metabolism by human liver microsomes of several new illicit drugs, that is, N‐(1‐amino‐3,3‐dimethyl‐1‐oxobutan‐2‐yl)‐1‐(4‐fluorobenzyl)‐1H‐indazole‐3‐ carboxamide (ADB‐FUBINACA), N‐(1‐amino‐3‐methyl‐1‐oxobutan‐2‐yl)‐1‐ (4‐fluorobenzyl)‐1H‐indazole‐3‐carboxamide (AB‐FUBINACA), N‐(1‐amino‐3‐methyl‐1‐oxobutan‐2‐yl)‐1‐pentyl‐1H‐indazole‐3‐carboxamide (AB‐PINACA), quinolin‐8‐yl 1‐pentyl‐(1H‐indole)‐3‐carboxylate (QUPIC), quinolin‐8‐yl 1‐(5‐fluoropentyl)‐(1H‐indole)‐3‐carboxylate (5 F‐QUPIC) and α‐pyrrolidinovalerothiophenone (α‐PVT), which have indole, indazole, quinolinol ester and thiophene structures, was investigated using reversed‐phase chromatography and mass spectrometry. The present method is based upon the oxidation by cytochrome p450 superfamily enzymes in the microsomes. The oxidation of ADB‐FUBINACA and AB‐FUBINACA mainly occurred on the N‐(1‐amino‐alkyl‐1‐oxobutan) moiety. However, the oxidation of AB‐PINACA seemed to occur on the 1‐pentyl moiety. On the other hand, QUPIC and 5 F‐QUPIC, which have a quinolinol ester structure, predominantly underwent a cleavage reaction to produce indoleacetic acid type metabolites. In contrast, the metabolism reaction of α‐PVT was different from that of the other tested drugs, and various oxidation products were observed on the chromatograms. The obtained metabolites are not in conflict with the results predicted by MetaboLynx software. However, the exact structures of the metabolites, except for 1‐pentyl‐1H‐indole‐3‐carboxylic acid (QUPIC metabolite) and 1‐(5‐fluoropentyl)‐1H‐indole‐3‐carboxylic acid (5 F‐QUPIC metabolite), are currently not proven, because we have no authentic compounds for comparison. The proposed approach using human liver microsome seems to provide a new technology for the prediction of possible metabolites occuring in humans. Copyright © 2014 John Wiley & Sons, Ltd.
Retracted: Determination of 4‐hydroxy‐2‐nonenal in serum by high‐performance liquid chromatography with fluorescence detection after pre‐column derivatization using 4‐(N,N‐dimethylaminosulfonyl)‐7‐hydrazino‐2, 1,3‐benzoxadiazole
Authors: Imazato Takahiro , Shiokawa Akina , Kurose Yuri , Katou Yasuha , Kishikawa Naoya , Ohyama Kaname , Ali Marwa Fathy Bakr , Ueki Yukitaka , Maehata Eisuke , Kuroda Naotaka 
Published: May 2014

ABSTRACT4‐Hydroxy‐2‐nonenal (4HNE) is a major aldehyde generated during lipid peroxidation. The clinical monitoring of 4HNE in biological fluids should be useful for the early diagnosis of several diseases involving lipid peroxidation, such as rheumatoid arthritis, Parkinson's disease and cancer. In this study, an HPLC with fluorescence detection method was developed for the determination of 4HNE in human serum. The proposed method involves the extraction of 4HNE from human serum by sub‐zero temperature extraction and fluorescent labeling of 4HNE with 4‐(N,N‐dimethylaminosulfonyl)‐7‐hydrazino‐2, 1,3‐benzoxadiazole. The lower detection limit (signal‐to‐noise ratio = 3) of the method was 0.06 μm in serum. The proposed method was successfully applied to the measurement of 4HNE in sera obtained from patients with rheumatoid arthritis. Copyright © 2014 John Wiley & Sons, Ltd.
Intestinal transport of sophocarpine across the Caco‐2 cell monolayer model and quantification by LC/MS
Authors: Sun Sen , Zhang Hai , Sun Fengfeng , Zhao Liang , Zhong Yanqiang , Chai Yifeng , Zhang Guoqing 
Published: May 2014

ABSTRACTSophocarpine is a biologically active component obtained from the foxtail‐like sophora herb and seed that is often orally administered for the treatment of cancer and chronic bronchial asthma. The aim of this study was to develop a rapid and specific LC/MS method for the determination of sophocarpine and to explore its transcellular transport mechanism across the Caco‐2 (the human colon adenocarcia cell lines) monolayer cell transwell model. Caco‐2 cells were seeded on permeable polycarbonate membranes and incubated for 21 days. Before the experiment, the trans‐epithelial electric resistance, integrity and alkaline phosphatase activity of the Caco‐2 monolayers were verified and used in subsequent experiments. In the Caco‐2 model constructed, many influencing factors were investigated, including time, concentration, pH and different protein inhibitors. The results suggested that sophocarpine was transported mainly by passive diffusion. The flux of sophocarpine was time‐ and concentration‐dependent, and the pH also had an effect on its transportation. The PappBA was higher than PappAB, indicating that a polarized transport might exist for sophocarpine. MK‐571 and reserpine, inhibitors of the multidrug resistance associated protein 2 and the breast cancer resistance protein, decreased the efflux of sophocarpine, while verapamil had no effect on its transport. These results revealed that sophocarpine is absorbed mainly by passive diffusion, and that a carrier‐mediated mechanism is also involved in the transport of sophocarpine. Copyright © 2014 John Wiley & Sons, Ltd.
An adaptive e‐learning system for Java programming course, based on Dokeos LE
Authors: Jovanovic Dusan , Jovanovic Slobodan 
Published: May 2014

ABSTRACTThis article describes an adaptive e‐learning system based on Dokeos open‐source e‐learning environment (Dokeos LE), developed to enable personalized e‐learning. The proposed adaptive e‐learning system offers creating personalized learning materials and scenarios, adapted individually by students, in accordance with their targeted knowledge level, background knowledge, learning styles, and interests for various topics. The proposed adaptive e‐learning system was implemented for Java programming course, however, in the same fashion this software can be used for many other engineering courses. © 2014 Wiley Periodicals, Inc. Comput Appl Eng Educ 23:337–343, 2015; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21603
Intracellular Light‐Activation of Riboswitch Activity
Authors: Walsh Steven , Gardner Laura , Deiters Alexander , Williams Gavin J. 
Published: May 2014

AbstractBy combining a riboswitch with a cell‐permeable photocaged small‐molecule ligand, an optochemical gene control element was constructed that enabled spatial and temporal control of gene expression in bacterial cells. The simplicity of this strategy, coupled with the ability to create synthetic riboswitches with tailored ligand specificities and output in a variety of microorganisms, plants, and fungi might afford a general strategy to photocontrol gene expression in vivo. The ability to activate riboswitches by using light enables the interrogation and manipulation of a wide range of biological processes with high precision, and will have broad utility in the regulation of artificial genetic circuits.
Slow Reactant–Water Exchange and High Catalytic Performance of Water‐Tolerant Lewis Acids
Authors: Koito Yusuke , Nakajima Kiyotaka , Kobayashi Hisayoshi , Hasegawa Ryota , Kitano Masaaki , Hara Michikazu 
Published: May 2014

Abstract31P nuclear magnetic resonance (NMR) spectroscopic measurement with trimethylphosphine oxide (TMPO) was applied to evaluate the Lewis acid catalysis of various metal triflates in water. The original 31P NMR chemical shift and line width of TMPO is changed by the direct interaction of TMPO molecules with the Lewis acid sites of metal triflates. [Sc(OTf)3] and [In(OTf)3] had larger changes in 31P chemical shift and line width by formation of the Lewis acid–TMPO complex than other metal triflates. It originates from the strong interaction between the Lewis acid and TMPO, which results in higher stability of [Sc(OTf)3TMPO] and [In(OTf)3TMPO] complexes than other metal triflate–TMPO complexes. The catalytic activities of [Sc(OTf)3] and [In(OTf)3] for Lewis acid‐catalyzed reactions with carbonyl compounds in water were far superior to the other metal triflates, which indicates that the high stability of metal triflate–carbonyl compound complexes cause high catalytic performance for these reactions. Density functional theory (DFT) calculation suggests that low LUMO levels of [Sc(OTf)3] and [In(OTf)3] would be responsible for the formation of stable coordination intermediate with nucleophilic reactant in water.
Direct X‐ray Observation of Trapped CO2in a Predesigned Porphyrinic Metal–Organic Framework
Authors: Johnson Jacob A. , Chen Shuang , Reeson Tyler C. , Chen Yu‐Sheng , Zeng Xiao Cheng , Zhang Jian 
Published: May 2014

AbstractMetal–organic frameworks (MOFs) are emerging microporous materials that are promising for capture and sequestration of CO2due to their tailorable binding properties. However, it remains a grand challenge to pre‐design a MOF with a precise, multivalent binding environment at the molecular level to enhance CO2capture. Here, we report the design, synthesis, and direct X‐ray crystallographic observation of a porphyrinic MOF, UNLPF‐2, that contains CO2‐specific single molecular traps. Assembled from an octatopic porphyrin ligand with [Co2(COO)4] paddlewheel clusters, UNLPF‐2 provides an appropriate distance between the coordinatively unsaturated metal centers, which serve as the ideal binding sites for in situ generated CO2. The coordination of CoIIin the porphyrin macrocycle is crucial and responsible for the formation of the required topology to trap CO2. By repeatedly releasing and recapturing CO2, UNLPL‐2 also exhibits recyclability.
Taming Living Carbocations in Catalytic Direct Conjugate Addition of Simple Alkenes to α,β‐Enones
Authors: Lv Jian , Zhong Xingren , Luo Sanzhong 
Published: May 2014

AbstractA Lewis acid in the presence of an anionic phosphate ligand enables the addition of alkenes to α,β‐enones. The ligand facilitates selective β‐proton elimination by suppressing competing pathways, thus leading to vinylation adducts in high yields (up to 99 %) for a broad range of substrates.
The Origin of the Room‐Temperature Stability of [TTF].+⋅⋅⋅[TTF].+Long, Multicenter Bonds Found in Functionalized π‐[R‐TTF]22+Dimers Included in the Cucurbit[8]uril Cavity
Authors: Capdevila‐Cortada Marçal , Miller Joel S. , Novoa Juan J. 
Published: May 2014

AbstractA computational study is performed to identify the origin of the room‐temperature stability, in aqueous solution, of functionalized π‐[R‐TTF]22+dimers (TTF=tetrathiafulvalene; R=(CH2OCH2)5CH2OH) included in the cavity of a cucurbit[8]uril (CB[8]) molecule. π‐[R‐TTF]22+dimers in pure water are weakly stable, and are mostly dissociated at room temperature. Upon addition of CB[8] to an aqueous π‐[R‐TTF]22+solution, a (π‐[R‐TTF]2⊂CB[8])2+inclusion complex is formed. The same complex is obtained after the sequential inclusion of two [R‐TTF].+monomers in the CB[8] molecule. Both processes are thermodynamically and kinetically allowed. π‐[R‐TTF]22+dimers dissolved in pure water present a [TTF].+⋅⋅⋅[TTF].+long, multicenter bond, similar to that already identified in π‐[TTF]22+dimers dissolved in organic solvents. Upon their inclusion in CB[8], the strength and other features of the [TTF].+⋅⋅⋅[TTF].+long, multicenter bond are preserved. The room temperature stability of the π‐[R‐TTF]22+dimers included in CB[8] is shown to originate in the π‐[R‐TTF]22+⋅⋅⋅CB[8] interaction, the strength of which comes from a strongly attractive electrostatic component and a dispersion component. Such a dominant electrostatic term is caused by the strongly polarized charge distribution in CB[8], the geometrical complementarity of the π‐[R‐TTF]22+and CB[8] geometries, and the amplifying effect of the 2+ charge in π‐[R‐TTF]22+.
Straightforward Access to Water‐Soluble Unsymmetrical Sulfoxanthene Dyes: Application to the Preparation of Far‐Red Fluorescent Dyes with Large Stokes’ Shifts
Authors: Chevalier Arnaud , Renard Pierre‐Yves , Romieu Anthony 
Published: May 2014

AbstractAn efficient synthesis of water‐soluble unsymmetrical sulforhodamine/sulforhodol fluorophores containing a single julolidine fragment is presented. Owing to their valuable spectral properties in aqueous buffers, these dyes, especially those bearing a free aniline or phenol moiety, are valuable components of fluorogenic probes for a variety of biosensing applications. A further extension of this synthetic methodology to unusual phenols, namely 7‐N,N‐dialkylamino‐4‐hydroxy coumarins has enabled us to provide a new family water‐soluble dyes of large Stokes’ shift with far‐red spectral features.
Hydrogenation of Biofuels with Formic Acid over a Palladium‐Based Ternary Catalyst with Two Types of Active Sites
Authors: Wang Liang , Zhang Bingsen , Meng Xiangju , Su Dang Sheng , Xiao Feng‐Shou 
Published: May 2014

AbstractA composite catalyst including palladium nanoparticles on titania (TiO2) and on nitrogen‐modified porous carbon (Pd/TiO2@NC) is synthesized from palladium salts, tetrabutyl titanate, and chitosan. N2 sorption isotherms show that the catalyst has a high BET surface area (229 m2 g−1) and large porosity. XPS and TEM characterization of the catalyst shows that palladium species with different chemical states are well dispersed across the TiO2 and nitrogen‐modified porous carbon, respectively. The Pd/TiO2@NC catalyst is very active and shows excellent stability towards hydrogenation of vanillin to 2‐methoxy‐4‐methylphenol using formic acid as hydrogen source. This activity can be attributed to a synergistic effect between the Pd/TiO2 (a catalyst for dehydrogenation of formic acid) and Pd/NC (a catalyst for hydrogenation of vanillin) sites.
Observer aging and long‐term avian survey data quality
Authors: Farmer Robert G. , Leonard Marty L. , Mills Flemming Joanna E. , Anderson Sean C. 
Published: May 2014

AbstractLong‐term wildlife monitoring involves collecting time series data, often using the same observers over multiple years. Aging‐related changes to these observers may be an important, under‐recognized source of error that can bias management decisions. In this study, we used data from two large, independent bird surveys, the Atlas of the Breeding Birds of Ontario (“OBBA”) and the North American Breeding Bird Survey (“BBS”), to test for age‐related observer effects in long‐term time series of avian presence and abundance. We then considered the effect of such aging phenomena on current population trend estimates. We found significantly fewer detections among older versus younger observers for 13 of 43 OBBA species, and declines in detection as an observer ages for 4 of 6 vocalization groups comprising 59 of 64 BBS species. Consistent with hearing loss influencing this pattern, we also found evidence for increasingly severe detection declines with increasing call frequency among nine high‐pitched bird species (OBBA); however, there were also detection declines at other frequencies, suggesting important additional effects of aging, independent of hearing loss. We lastly found subtle, significant relationships between some species' published population trend estimates and (1) their corresponding vocalization frequency (n ≥ 22 species) and (2) their estimated declines in detectability among older observers (n = 9 high‐frequency, monotone species), suggesting that observer aging can negatively bias long‐term monitoring data for some species in part through hearing loss effects. We recommend that survey designers and modelers account for observer age where possible.
Prevalence of unrecognized heart failure in older persons with shortness of breath on exertion
Authors: van Riet Evelien E.S. , Hoes Arno W. , Limburg Alexander , Landman Marcel A.J. , van der Hoeven Henk , Rutten Frans H. 
Published: May 2014

AbstractAimsThe majority of patients with heart failure are diagnosed in primary care, but underdiagnosis is common. Shortness of breath is a prevalent complaint of older persons and one of the key symptoms of heart failure. We assessed the prevalence of unrecognized heart failure in elderly patients presenting to primary care with shortness of breath on exertion.Methods and resultsThis was a cross‐sectional selective screening study. Patients aged 65 years or over presenting to primary care with shortness of breath on exertion in the previous 12 months were eligible when not known to have an established, echocardiographic confirmed diagnosis of heart failure. All participants underwent history taking, physical examination, electrocardiography, and a blood test ofN‐terminal pro B‐type natriuretic peptide (NTproBNP). Only those with an abnormal electrocardiogram orNTproBNPlevel exceeding the exclusionary cut‐point for non‐acute onset heart failure (>15 pmol/L (≈125 pg/mL) underwent open‐access echocardiography. An expert panel established presence or absence of heart failure according to the criteria of the European Society of Cardiology heart failure guidelines. The mean age of the 585 participants was 74.1 (SD6.3) years, and 54.5% were female. In total, 92 (15.7%, 95%CI12.9–19.0) participants had heart failure: 17 (2.9%, 95%CI1.8–4.7) had heart failure with a reduced ejection fraction (≤45%), 70 (12.0%, 95%CI9.5–14.9) had heart failure with preserved ejection fraction, and five (0.9%, 95%CI0.3–2.1) had isolated right‐sided heart failure.ConclusionElderly primary care patients with shortness of breath on exertion often have unrecognized heart failure, mainly with preserved ejection fraction.
Aminoferrocene and Ferrocene Amino Acid as Electron Donors in Modular Porphyrin–Ferrocene and Porphyrin–Ferrocene–Porphyrin Conjugates
Authors: Melomedov Jascha , Ochsmann Julian Robert , Meister Michael , Laquai Frédéric , Heinze Katja 
Published: May 2014

AbstractNew amide‐linked porphyrin–ferrocene conjugates [M(PAr)–Fc] were prepared from aminoferrocene and a carboxy‐substituted meso‐tetraaryl‐porphyrin [M = 2H, Zn; Ar = mesityl (Mes), C6F5: 3a, 3e, Zn‐3a, Zn‐3e]. A further porphyrin building block was attached to the second cyclopentadienyl ring of the ferrocene moiety to give the metallopeptides M(PMes)–Fc–M(PAr) (M = 2H, Zn; Ar = C6H5, 4‐C6H4F: 6b, 6c, Zn‐6b, Zn‐6c). The effects of the Ar substituents, the porphyrin central atom M and the presence of the second porphyrin at the ferrocene hinge on the excited‐state dynamics was studied by optical absorption spectroscopy, electrochemistry, steady‐state emission, time‐resolved fluorescence measurements and transient absorption pump–probe spectroscopy in addition to density functional theory calculations. In the ground state, only weak interactions were revealed between the ferrocene and porphyrin units by optical absorption spectroscopy and electrochemical measurements. However, the porphyrin emission is strongly quenched with respect to that of the reference porphyrins without the ferrocene moieties. Fluorescence is partially recovered at lower temperatures, which suggests an activated excited‐state decay process. All excited‐state lifetimes are reduced with respect to those of the reference porphyrins. The quantum yields and lifetimes correlate with the porphyrin and ferrocene redox potentials. All observations point to photoinduced electron transfer from ferrocene to the porphyrin in the normal Marcus region as the dominant excited‐state reactivity. The resulting charge‐separated states of selected conjugates were studied by ns–μs transient absorption pump–probe spectroscopy. Hints for the feasibility of singlet–singlet energy transfer between cofacial porphyrins were found in tweezers 6 and Zn‐6.
Advances towards Aromatic Oligoamide Foldamers: Synthesis and X‐ray Structures of Dimeric Arylopeptoids with Conformation‐Directing Side Chains
Authors: Hjelmgaard Thomas , Plesner Malene , Dissing Mette Marie , Andersen Jeanette Marker , Frydenvang Karla , Nielsen John 
Published: May 2014

AbstractWe have efficiently synthesized 36 arylopeptoid dimers with ortho‐, meta‐, and para‐substituted aromatic backbones and tert‐butyl or phenyl side chains. The dimers were synthesized by using a “submonomer method” on solid phase, by applying a simplified common set of reaction conditions. X‐ray crystallographic analysis of two of these dimers disclosed that the tert‐butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure of the surrounding aromatic backbone.
Truly isotropic biaxial hysteresis with arbitrary knee sharpness
Authors: Harvey P. Scott , Gavin Henri P. 
Published: May 2014

AbstractThe inelastic responses of framed structures and seismic isolation systems undergoing biaxial (horizontal) shaking are coupled. In existing models for biaxial coupling of hysteretic behavior, the smoothness (or ‘knee') of the transition from elastic to yielding behavior cannot be modified without affecting the shape of the yield surface. This paper presents a model for coupled biaxial hysteretic behavior in which the knee from pre‐yield to post‐yield can be adjusted while maintaining an isotropic yield surface. Copyright © 2014 John Wiley & Sons, Ltd.
Chronic sensitivity of white sturgeon (Acipenser transmontanus) and rainbow trout (Oncorhynchus mykiss) to cadmium, copper, lead, or zinc in laboratory water-only exposures
Authors: Wang Ning , Ingersoll Christopher G. , Dorman Rebecca A. , Brumbaugh William G. , Mebane Christopher A. , Kunz James L. , Hardesty Doug K. 
Published: May 2014

Abstract

Chronic toxicity of cadmium, copper, lead, or zinc to white sturgeon (Acipenser transmontanus) and rainbow trout (Oncorhynchus mykiss) was evaluated in water-only exposures started with newly hatched larvae or approximately 1-mo-old juveniles. The 20% effect concentration (EC20) for cadmium from the sturgeon tests was higher than the EC20 from the trout tests, whereas the EC20 for copper, lead, or zinc for the sturgeon were lower than those EC20s for the trout. When the EC20s from the present study were included in compiled toxicity databases for all freshwater species, species mean chronic value for white sturgeon was in a relatively low percentile of the species sensitivity distribution for copper (9th percentile) and in the middle percentile for cadmium (55th percentile), zinc (40th percentile), or lead (50th percentile). However, the species mean chronic value for rainbow trout was in a high percentile for copper, lead, and zinc (∼68th–82nd percentile), but in a low percentile for cadmium (23rd percentile). The trout EC20s for each of the 4 metals and the sturgeon EC20s for cadmium or lead were above US Environmental Protection Agency chronic ambient water quality criteria (AWQC) or Washington State chronic water quality standards (WQS), whereas the sturgeon EC20s for copper or zinc were approximately equal to or below the chronic AWQC and WQS. In addition, acute 50% effect concentrations (EC50s) for copper obtained in the first 4 d of the chronic sturgeon test were below the final acute value used to derive acute AWQC and below acute WQS for copper. Environ Toxicol Chem 2014;33:2246–2258. Published 2014 Wiley Periodicals Inc. on behalf of SETAC. This article is a US government work and, as such, is in the public domain in the United States of America.