bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemical Kinetics of Consecutive and Parallel Reactions Both with a Reversible First Step
Authors: Park Bong Ser , Park Tae Jun
Published: August 2015

We solve the rate equations analytically for the first‐order consecutive reaction and the corresponding parallel reaction both with a reversible first step. Results of the consecutive reaction, especially, can be used to determine explicitly the product concentration of the unimolecular decomposition and of the enzyme reaction which has hitherto been calculated by approximation. In addition, we indicate how we specify a certain reaction to be consecutive or parallel by comparing experimental data with theory. We also show that rate constants for the reactions are found from the various time derivatives of concentrations.
Update to NCAA bylaw raises concerns about impact on student‐athletes' mental health
Authors: Neal Timothy , Sullivan John P. , Coppel David B. , Maniar Sam , Baillie Patrick , Quandt Eric F.
Published: August 2015

A recent update to a National Collegiate Athletic Association bylaw related to sport psychology raises significant concerns about providing student‐athletes sufficient care to ensure their long‐term health and well‐being. The changes also raise the potential liability risk for institutions and threaten confidentiality protection for student‐athletes.
Learn practical strategies to better manage difficult personnel, budget challenges
Authors: McCarthy Claudine
Published: August 2015

JIM ABBOTT, ASSISTANT VP OF INTERCOLLEGIATE ATHLETICS AND ATHLETICS DIRECTOR, OKLAHOMA CITY UNIVERSITY
Diterpene Constituents of Euphorbia exigua L. and Multidrug Resistance Reversing Activity of the Isolated Diterpenes
Authors: Rédei Dóra , Boros Klára , Forgo Peter , Molnár Joseph , Kele Zoltán , Pálinkó István , Pinke Gyula , Hohmann Judit
Published: August 2015

Phytochemical investigation of the MeOH extract obtained from the aerial parts of the annual weed Euphorbia exigua L. resulted in the isolation of two novel (1, 2) and one known (3) jatrophane diterpenes. Their structures were established by extensive 1D‐ and 2D‐NMR spectroscopy and HR‐ESI‐MS. The isolated compounds were evaluated for multidrug resistance (MDR) reversing activity on human MDR gene‐transfected L5178 mouse lymphoma cells; and all three compounds were found to modulate the intracellular drug accumulation.
Lupane‐ and Friedelane‐Type Triterpenoids from Celastrus stylosus
Authors: Ying You‐Min , Li Cui‐Yu , Chen Yan , Xiang Jia‐Gui , Fang Ling , Yao Jian‐Biao , Wang Fa‐Song , Wang Ru‐Wei , Shan Wei‐Guang , Zhan Zha‐Jun
Published: August 2015

Two new triterpenoids, 30‐hydroxylup‐20(29)‐ene 3β‐caffeate (1) and 24‐nor‐friedelan‐6α,10‐dihydroxy‐1,2‐dioxo‐4,7‐dien‐29‐oic acid (2), together with eight known compounds 3–10, were isolated from the roots of Celastrus stylosus. The structures of these compounds were elucidated on the basis of spectroscopic analyses. To the best of our knowledge, this represents the first study on the chemical constituents of C. stylosus. The antiproliferative activities of the triterpenoids against six human cancer cell lines (PANC‐1, A549, PC‐3, HepG2, SGC‐7901, and HCCLM3) were evaluated. Compounds 3, 4, and 10 exhibited comparable activities against PC‐3 and HCCLM3 cell lines as the positive control taxol.
Phytochemical Analysis, Biological Activity, and Secretory Structures of Stachys annua (L.) L. subsp. annua (Lamiaceae) from Central Italy
Authors: Venditti Alessandro , Bianco Armandodoriano , Quassinti Luana , Bramucci Massimo , Lupidi Giulio , Damiano Silvia , Papa Fabrizio , Vittori Sauro , Maleci Bini Laura , Giuliani Claudia , Lucarini Domenico , Maggi Filippo
Published: August 2015

Stachys annua subsp. annua, well‐known in central Italy as ‘stregona annuale’, is an annual, small, slightly‐scented herb, commonly found in fields and uncultivated areas in almost all regions of Italy. In folk medicine, its aerial parts were used as anti‐catarrhal, febrifuge, tonic, and vulnerary. In the present work, the chemical composition of the flowering aerial parts was studied. The hydrodistilled volatile oil, analysed by GC/MS, showed sesquiterpenoids as the major fraction (42.5%); phytol (9.8%), germacrene D (9.2%), and spathulenol (8.5%) were the most abundant constituents. The volatile oil was assayed for antioxidant and cytotoxic activity by DPPH, ABTS, FRAP, and MTT methods. The cytotoxicity results against HCT116, A375, and MDA‐MB 231 human tumor cell lines were significant, with IC50 values of 23.5, 37.2, and 41.5 μg/ml, respectively, whereas the antioxidant power was negligible. The EtOH extract was composed mainly of three glycosidic flavonoids, namely 7‐{[2‐O‐(6‐O‐acetyl‐β‐D‐allopyranosyl)‐β‐D‐glucopyranosyl]oxy}‐5,8‐dihydroxy‐2‐(4‐methoxyphenyl)‐4H‐1‐benzopyran‐4‐one (1), 7‐{[6‐O‐acetyl‐2‐O‐(6‐O‐acetyl‐β‐D‐allopyranosyl)‐β‐D‐glucopyranosyl]oxy}‐2‐(3,4‐dihydroxyphenyl)‐5,8‐dihydroxy‐4H‐1‐benzopyran‐4‐one (2), and 7‐{[6‐O‐acetyl‐2‐O‐(β‐D‐allopyranosyl)‐β‐D‐glucopyranosyl]oxy}‐2‐(3‐hydroxy‐4‐methoxyphenyl)‐5,8‐dihydroxy‐4H‐1‐benzopyran‐4‐one (3). On the contrary, iridoids, considered chemotaxonomic markers of the genus Stachys, were absent in this species. Finally, the morphological and histochemical survey showed that glandular trichomes were composed of two main types, i.e. peltate type A and capitate types B and C giving positive response for both lipids and polyphenols.
Three New Isomeric Indole Alkaloids from Nauclea officinalis
Authors: Wang Hai‐Yang , Wang Ru‐Xia , Zhao Yan‐Xia , Liu Ke , Wang Feng‐Ling , Sun Jing‐Yong
Published: August 2015

Three new isomeric monoterpene indole alkaloids, naucleofficines I–III (1–3, resp.) were isolated from the stems (with bark) of Nauclea officinalis. Their structures were elucidated on the basis of spectroscopic methods and single‐crystal diffraction analyses. The cytotoxic activities of 1–3 against human colon cancer, human gastric cancer, and human hepatoma cells were also investigated.
Biphenyl‐Type Neolignan Derivatives from the Twigs of Magnolia denudata and Their Anti‐Inflammatory Activity
Authors: Chung Ching‐Yi , Kuo Wen‐Lung , Hwang Tsong‐Long , Chung Mei‐Ing , Chen Jih‐Jung
Published: August 2015

Two new biphenyl‐type neolignan derivatives, 2‐[2‐(hydroxymethyl)‐1‐benzofuran‐5‐yl]‐4‐(prop‐2‐en‐1‐yl)phenol (1) and 2′‐ethoxy‐5,5′‐di(prop‐2‐en‐1‐yl)biphenyl‐2‐ol (2), were isolated from the twigs of Magnolia denudata, together with six known compounds (3–8). The structures of 1 and 2 were determined through extensive 1D‐ and 2D‐NMR and mass‐spectrometric analyses. Magnolol (6) and honokiol (7) exhibited potent inhibition (IC50 values=4.4±0.2 and 0.71±0.13 μg/ml, resp.) of O$\rm{{_{2}^{{^\cdot} -}}}$ generation by human nutrophils in response to N‐formyl‐L‐methionyl‐L‐leucyl‐L‐phenylalanine/cytochalasin B (fMLP/CB). In addition, 2‐[2‐(hydroxymethyl)‐1‐benzofuran‐5‐yl]‐4‐(prop‐2‐en‐1‐yl)phenol (1), 2′‐ethoxy‐5,5′‐di(prop‐2‐en‐1‐yl)biphenyl‐2‐ol (2), magnolol (6), and vanillic acid (8) inhibited fMLP/CB‐induced elastase release with IC50 values=6.4±1.5, 2.4±0.4, 1.5±0.2, and 4.8±0.5 μg/ml, respectively.
Polyanilines with Pendant Amino Groups as Electrochemically Active Copolymers at Neutral pH
Authors: Marmisollé Waldemar A. , Gregurec Danijela , Moya Sergio , Azzaroni Omar
Published: August 2015

One of the most promising fields of application of polyaniline (PANI)‐based modified electrodes is the construction of biosensors. However, PANI itself is not electroactive in neutral media. This problem can be solved by copolymerization of aniline with other monomers. Herein, we present a study of the electrosynthesis and electrochemical performance of copolymer films of 3‐aminobenzylamine and aniline. These films are both stable and electroactive in acid and neutral media. They can even be employed as mediators of ascorbic acid oxidation, showing variable electrocatalytic activity depending on the copolymer composition. The presence of different proportions of pendant amino groups was confirmed by using XPS. These groups are responsible for the increased electroactivity in neutral solution. The copolymer films studied here can be used as versatile building blocks in the construction of bioelectroactive assemblies.
In Situ Synthesis of Porous Carbons by Using Room‐Temperature, Atmospheric‐Pressure Dielectric Barrier Discharge Plasma as High‐Performance Adsorbents for Solid‐Phase Microextraction
Authors: Lin Yao , Wu Li , Xu Kailai , Tian Yunfei , Hou Xiandeng , Zheng Chengbin
Published: August 2015

A one‐step, template‐free method is described to synthesize porous carbons (PCs) in situ on a metal surface by using a room‐temperature, atmospheric‐pressure dielectric barrier discharge (DBD) plasma. This method not only features high efficiency, environmentally friendliness, and low cost and simple equipment, but also can conveniently realize large‐area synthesis of PCs by only changing the design of the DBD reactor. The synthesized PCs have a regulated nestlike morphology, and thus, provide a high specific surface area and high pore volume, which result in excellent adsorption properties. Its applicability was demonstrated by using a PC‐coated stainless‐steel fiber as a solid‐phase microextraction (SPME) fiber to preconcentrate polycyclic aromatic hydrocarbons (PAHs) prior to analysis by gas chromatography with flame ionization detection (GC‐FID). The results showed that the fiber exhibited excellent enrichment factors (4.1×104 to 3.1×105) toward all tested PAHs. Thus, the PC‐based SPME‐GC‐FID provides low limits of detection (2 to 20 ng L−1), good precision (<7.8 %), and good recoveries (80–115 %) for ultra‐sensitive determination of PAHs in real water samples. In addition, the PC‐coated fiber could be stable enough for more than 500 replicate extraction cycles.
Iodine(III)‐Mediated Diazidation and Azido‐oxyamination of Enamides
Authors: Nocquet‐Thibault Sophie , Rayar Anita , Retailleau Pascal , Cariou Kevin , Dodd Robert H.
Published: August 2015

In this study we demonstrate that the combination of bis(tert‐butylcarbonyloxy)iodobenzene and lithium azide in acetonitrile allows the diazidation of various enamide substrates. The azido‐oxyamination of the same substrates can be carried out in the presence of 2,2,6,6‐tetramethylpiperidine N‐oxide (TEMPO). Control experiments strongly suggest that this latter process occurs through a shift in nature of the in situ generated electrophilic species from a radical to a cation. Finally, the versatility of the novel compounds synthesized was also assessed by running various selective reactions on them.
A Theoretical Insight into the Mechanism of Cu(I)‐Catalyzed CN Coupling between Aryl Halides and Aqueous Ammonia
Authors: Chen Ting , Yan Mingkuan , Zheng Chao , Yuan Jie , Xu Shen , Chen Runfeng , Huang Wei
Published: August 2015

Computational investigations of Cu(I)‐catalyzed CN coupling between aryl halides and aqueous ammonia without addition of any base or ligand were reported. Density functional theory calculations were performed to reveal the mechanism of the ligand‐free amination reaction for the preparation of primary aromatic amines. Through systematic evaluation of the relative concentrations of possible Cu species in solution, we propose that the active catalyst is the neutral Cu(I) complexes rather than the Cu(I) cations; oxidative addition of aryl bromide is a facile step of the catalytic cycle; reactant (NH3) and solvent molecule (NMP) can act as ligands of Cu species to help reduce the activation energy of the forward reaction and increase the activation energy of the reverse reaction; except for Pathway B, the deprotonation step is irreversible due to the extreme exothermic feature; the elimination of H2O is kinetically favored, while that of HBr is thermodynamically preferred. These findings should be valuable for the mechanism understandings of the ligand‐free Cu‐catalyzed CN cross‐coupling reactions and for the further development of highly efficient amination catalyst systems.
Gold Nanoparticles for Cancer Theranostics
Authors: Liang Hong , Tian Huayu , Deng Mingxiao , Chen Xuesi
Published: August 2015

Gold nanoparticles have seen unprecedented development in the biomedical field, particularly for cancer therapy. They have received extensive attention because of their easy preparation, functionalization, biocompatibility, non‐cytotoxicity, and detectability. Functionalized gold nanoparticles can be applied in the fields of drug and gene delivery, photothermal therapy, and bioimaging. This review introduces methods for preparing various shapes of gold nanoparticles and describes their current applications in the field of cancer treatment. Moreover, the review presents the development routes and current issues of gold nanoparticles in clinical theranostics.
Mapping the Environmental Risk of Antibiotic Contamination by Using Multi‐Criteria Decision Analysis
Authors: Küçükdoğan Arın , Güven Başak , Balcıoğlu Işıl
Published: August 2015

Veterinary antibiotics have widely been used for promoting animal health, especially in the last few decades. As a result of application of manure on agricultural lands, leaching of antibiotics from manure to soil and antibiotic transport via runoff may cause both soil and water quality degradation. Moreover, an increased antibiotic concentration in soil stimulates the development of antibiotic resistant bacteria in the environment. The aim of this study was to develop environmental risk maps for the Marmara Region by taking into account the antibiotic transport from the pasture lands. By using geographical information systems, the region was divided into manageable modelling units according to different topographical and hydrodynamic characteristics. A storm water management model was applied for runoff prediction. The transport of previously analyzed antibiotics in the region was determined by using an exposure model developed by the National Institute of Public Health and the Environment, the Netherlands. The environmental risk of antibiotics was mapped by undertaking a multi‐criteria decision analysis approach for all pasture lands. The risk maps showed that the potential risk of antibiotic transport from pasture lands is moderate across the Marmara Region, however, a high level of risk prevailed in some areas, particularly in Balıkesir.
Discovery of Novel, Potent, and Specific Cell‐Death Inducers in the Jurkat Acute Lymphoblastic Leukemia Cell Line
Authors: Carosati Emanuele , van den Höfel Natascha , Reif Manuela , Randazzo Giuseppe Marco , Stanitzki Bettina , Stevens Julia , Gabbert Helmut E. , Cruciani Gabriele , Mannhold Raimund , Mahotka Csaba
Published: August 2015

The limited clinical efficacy of many cancer therapeutics has initiated intense research efforts toward the discovery of novel chemical entities in this field. In this study, 31 hit candidates were selected from nearly 800 000 database compounds in a ligand‐based virtual screening campaign. In turn, three of these hits were found to have (sub)micromolar potencies in proliferation assays with the Jurkat acute lymphatic leukemic cell line. In this assay, the three hits were found to exhibit higher potency than clinically tested cell‐death inducers (GDC‐0152, AT‐406, and birinapant). Importantly, antiproliferative activity toward non‐cancer peripheral blood mononuclear cells (PBMCs) was found to be marginal. Further biological characterization demonstrated the cell‐death‐inducing properties of these compounds. Biological testing of hit congeners excluded a nonspecific, toxic effect of the novel structures. Altogether, these findings may have profound relevance for the development of clinical candidates in tumor therapy.
Hyperpolarized 6Li as a probe for hemoglobin oxygenation level
Authors: Balzan Riccardo , Mishkovsky Mor , Simonenko Yana , van Heeswijk Ruud B. , Gruetter Rolf , Eliav Uzi , Navon Gil , Comment Arnaud
Published: August 2015

Hyperpolarization by dissolution dynamic nuclear polarization (DNP) is a versatile technique to dramatically enhance the nuclear magnetic resonance (NMR) signal intensity of insensitive long‐T1 nuclear spins such as 6Li. The 6Li longitudinal relaxation of lithium ions in aqueous solutions strongly depends on the concentration of paramagnetic species, even if they are present in minute amounts. We herein demonstrate that blood oxygenation can be readily detected by taking advantage of the 6Li signal enhancement provided by dissolution DNP, together with the more than 10% decrease in 6Li longitudinal relaxation as a consequence of the presence of paramagnetic deoxyhemoglobin. Copyright © 2015 John Wiley & Sons, Ltd.
Refinement of adsorptive coatings for fluorescent riboflavin‐receptor‐targeted iron oxide nanoparticles
Authors: Tsvetkova Yoanna , Beztsinna Nataliia , Jayapaul Jabadurai , Weiler Marek , Arns Susanne , Shi Yang , Lammers Twan , Kiessling Fabian
Published: August 2015

Flavin mononucleotide (FMN) is a riboflavin derivative that can be exploited to target the riboflavin transporters (RFTs) and the riboflavin carrier protein (RCP) in cells with high metabolic activity. In this study we present the synthesis of different FMN‐coated ultrasmall superparamagnetic iron oxide nanoparticles (USPIOs) and their efficiency as targeting contrast agents. Since FMN alone cannot stabilize the nanoparticles, we used adenosine phosphates – AMP, ADP and ATP – as spacers to obtain colloidally stable nanoparticles. Nucleotides with di‐ and triphosphate groups were intended to increase the USPIO charge and thus improve zeta potential and stability. However, all nanoparticles formed negatively charged clusters with similar properties in terms of zeta potential (−28 ± 2 mV), relaxivity (228–259 mM−1 s−1 at 3 T) and hydrodynamic radius (53–85 nm). Molecules with a higher number of phosphate groups, such as ADP and ATP, have a higher adsorption affinity towards iron oxide, which, instead of providing more charge, led to partial desorption and replacement of FMN. Hence, we obtained USPIOs carrying different amounts of targeting agent, which significantly influenced the nanoparticles' uptake. The nanoparticles' uptake by different cancer cells and HUVECs was evaluated photometrically and with MR relaxometry, showing that the cellular uptake of the USPIOs increases with the FMN amount on their surface. Thus, for USPIOs targeted with riboflavin derivatives the use of spacers with increasing numbers of phosphate groups does not improve either zeta potential or the particles' stability, but rather detaches the targeting moieties from their surface, leading to lower cellular uptake. Copyright © 2015 John Wiley & Sons, Ltd.
MPI‐CMS: a hybrid parallel approach to geometrical motif search in proteins
Authors: Ferretti Marco , Musci Mirto , Santangelo Luigi
Published: August 2015

This paper describes the message passing parallel implementation of the Cross Motif Search algorithm (MPI‐CMS). It is an extension and specifically improves on the results obtained in a conference paper presented at PBIO 2014. CMS is a bioinformatics algorithm whose goal is to search for geometrical motifs in proteins. For the purpose of a complete characterization of protein similarities, it would be important to run CMS on the largest possible dataset. Unfortunately, due to its precision, CMS is inherently slow; thus, it was originally implemented using a shared memory parallel paradigm. In the original conference paper, we proved that the OpenMP implementation of Cross Motif Search (MP‐CMS) is extremely inefficient and cannot scale adequately. To solve the problem, we designed a new parallel implementation of CMS (MPI‐CMS) based on a hybrid shared memory and message passing paradigm. This paper reconsiders MPI‐CMS with the target to port it on a supercomputing machine. The focus is on the dependence of performance in the hybrid approach on the workload unbalance. Using a simple statistical analysis of the workload we discuss several strategies through which we can improve the design of MPI‐CMS. We conclude the paper describing a revised implementation of MPI‐CMS, which takes into account the size of the protein pairs to fine‐tune the parallelization strategy. Copyright © 2015 John Wiley & Sons, Ltd.
A DFT Study of Tungsten–Methylidene Formation on a W/ZSM‐5 Zeolite: The Metathesis Active Site
Authors: Maihom Thana , Probst Michael , Limtrakul Jumras
Published: August 2015

Tungsten–methylidene formation from ethene on either the WIV, WV, or WVI active sites of a W/ZSM‐5 zeolite is investigated by using the M06‐L functional. The reaction is assumed to proceed in two steps; the first step is the [2+2] cycloaddition between ethene and the W−O active site to form an oxametallacycle intermediate. The intermediate is then decomposed to produce the W–methylidene active site from the metathesis reaction. The overall activation barrier of the reaction on WVI (27.3 kcal mol−1) is considerably lower than the ones for WIV and WV (69.4 and 37.1 kcal mol−1, respectively). Moreover, the reaction involving the WVI site also stabilizes intermediates and products to a larger extent than the ones on the WIV and WV sites. As a result, we have demonstrated that the reaction of the W–methylidene metathesis active site is both kinetically and thermodynamically favored to occur on the WVI active site of the zeolite.
Depolymerization of Free‐Radical Polymers with Spin Migrations
Authors: Yu Tianrong , Gao Yang , Wang Bo , Dai Xing , Jiang Wanrun , Song Ruixia , Zhang Zhanwen , Jin Mingxing , Tang Yongjian , Wang Zhigang
Published: August 2015

The mechanism of depolymerization is one of the most essential issues in chemical engineering and materials science. In this work, we investigate the depolymerization reactions of three typical free‐radical poly(alpha‐methylstyrene) tetramers by using first‐principles density functional theory. The calculated results show that these reactions all need to overcome the energy barriers in the range of 0.58 to 0.77 eV, and that breaking the C−C bond at the chain end leads to the dissociation of alpha‐methylstyrene monomers from the polymers. Electronic‐structure analysis indicates that the reactions occur easily at the CR3 unsaturated end, and that the frontier molecular orbitals that participate in the reactions are mainly localized at the unsaturated ends. Meanwhile, spin population analysis presents the unique net spin‐transfer process in free‐radical depolymerization reactions. We hope the current findings can contribute to understanding the free‐radical depolymerization mechanism and help guide future experiments.
Genotyping of a family with a novel deleterious DPYD mutation supports the pretherapeutic screening of DPD deficiency with dihydrouracil/uracil ratio
Authors: Thomas F , Hennebelle I , Delmas C , Lochon I , Dhelens C , Garnier Tixidre C , Bonadona A , Penel N , Goncalves A , Delord JP , Toulas C , Chatelut E
Published: August 2015

Despite the growing evidence that dihydropyrimidine dehydrogenase deficiency (DPD, encoded by the DPYD gene) confers a higher risk of developing severe toxicity, most patients are not screened for DPD deficiency before fluoropyrimidine treatment. We report here the genetic and phenotypic analyses of DPD in a family related to a patient who died after a first cycle of 5‐fluorouracil and in 15 additional retrospective patients having a partial DPD deficiency (as measured by plasma dihydrouracil/uracil ratio). The patient with lethal toxicity was found to be a compound heterozygote for two DPYD mutations: a novel 8‐bp duplication (c.168_175dupGAATAATT, p.Phe59Ter) and c.1679T>G (Ile560Ser). The patient's dihydrouracil/uracil ratio indicates complete DPD deficiency. The novel mutation was found in two members of the patient's family. Deleterious DPYD mutations were identified in 9 out of the 15 patients. The relationship between genotype and dihydrouracil/uracil values in the 22 patients of the present study was significant (P = 0.01).
Linking Flavonoids to Gold – A New Family of Gold Compounds for Potential Therapeutic Applications
Authors: Mirzadeh Nedaossadat , Privér Steven H. , Abraham Amanda , Shukla Ravi , Bansal Vipul , Bhargava Suresh K.
Published: August 2015

The flavone ligands 8‐chloro‐2‐tetrahydrofuryl‐1,4‐benzopyrone and 8‐chloro‐2‐(2‐methyltetrahydrofuryl)‐1,4‐benzopyrone have been used to prepare the first examples of alkynyl phosphine gold compounds containing flavonoids which exhibit cytotoxicity towards human prostate cancer cells.
Selective [2+2] Cycloaddition Reactions of Isocyanates and Thioisocyanates across the M=C Bond in a Ruthenium Carbene Complex
Authors: Weismann Julia , Gessner Viktoria H.
Published: August 2015

The reactivity of the (carbene)ruthenium complex [(η6‐p‐cymene)Ru=CRR′] with the unsymmetrical methandiide ligand [CRR′=C(Ph2PS)(SO2Ph)] towards different unsaturated organic substrates was examined. While no transformation was observed with a series of different ketones (no Wittig‐type reactivity), treatment with isocyanates as well as thioisocyanates resulted in selective [2+2] cycloaddition reactions across the Ru=C double bond. The products were isolated in high yields and characterized in solution as well as in the solid state. The addition reactions were found to proceed selectively according to the HSAB principle with the soft ruthenium center preferring the softer donor atoms. Hence, isocyanate addition occurred with the C=N bond, while the thioisocyanates added to the metal–carbon bond with the C=S bond. Density functional theory studies on the reaction mechanism confirmed the observed selectivity and the formed complexes as kinetically as well as thermodynamically favoured products.
Simultaneous determination of nucleoside and purine compounds in human urine based on a hydrophobic monolithic column using capillary electrochromatography
Authors: Chen Zongbao , Huang Chuanghui , Liu Wei , Zhang Lin , Tong Ping , Zhang Lan
Published: August 2015

A novel capillary electrochromatography method was developed by using a polymethacrylate ester based monolithic column for the simultaneous separation and determination of five nucleoside and purine compounds in urine. The porous monolithic column was first designed by mean of in situ copolymerizing stearyl methacrylate, trihydroxymethylpropyl trimethylacrylate, and 2‐acrylamido‐2‐methyl‐1‐propanesulfonic acid in a ternary porogenic solvent including cyclohexanol, 1,4‐butanediol, and water. The performance and influence factors of the monolithic columns were investigated and evaluated by a CEC method. The five compounds including guanine, adenine, adenosine, cytidine, and N6‐methyladenosine were selected as analytes. Under the optimized condition of 6.0 mM phosphate buffer at pH 5.0 without ACN, five analytes were rapidly separated in 4 min with the high separation efficiency. The recoveries of spiked samples were ranged from 89.0 to 109.0% with RSDs less than 4.83%. Therefore, the proposed method could possibly provide for rapid separation and detection of the nucleoside and purine compounds in biomedicine sample.
Textile dyes induce toxicity on zebrafish early life stages
Authors: de Oliveira Gisele Augusto Rodrigues , de Lapuente Joaquín , Teixidó Elisabet , Porredón Constança , Borràs Miquel , de Oliveira Danielle Palma
Published: August 2015

Textile manufacturing is one of the most polluting industrial sectors because of the release of potentially toxic compounds, such as synthetic dyes, into the environment. Depending on the class of the dyes, their loss in wastewaters can range from 2% to 50% of the original dye concentration. Consequently, uncontrolled use of such dyes can negatively affect human health and the ecological balance. The present study assessed the toxicity of the textile dyes Direct Black 38 (DB38), Reactive Blue 15 (RB15), Reactive Orange 16 (RO16), and Vat Green 3 (VG3) using zebrafish (Danio rerio) embryos for 144 h postfertilization (hpf). At the tested conditions, none of the dyes caused significant mortality. The highest RO16 dose significantly delayed or inhibited the ability of zebrafish embryos to hatch from the chorion after 96 hpf. From 120 hpf to 144 hpf, all the dyes impaired the gas bladder inflation of zebrafish larvae, DB38 also induced curved tail, and VG3 led to yolk sac edema in zebrafish larvae. Based on these data, DB38, RB15, RO16, and VG3 can induce malformations during embryonic and larval development of zebrafish. Therefore, it is essential to remove these compounds from wastewater or reduce their concentrations to safe levels before discharging textile industry effluents into the aquatic environment. Environ Toxicol Chem 2016;35:429–434. © 2015 SETAC
Rethinking the dispersal of Homo sapiens out of Africa
Authors: Groucutt Huw S. , Petraglia Michael D. , Bailey Geoff , Scerri Eleanor M. L. , Parton Ash , Clark‐Balzan Laine , Jennings Richard P. , Lewis Laura , Blinkhorn James , Drake Nick A. , Breeze Paul S. , Inglis Robyn H. , Devès Maud H. , Meredith‐Williams Matthew , Boivin Nicole , Thomas Mark G. , Scally Aylwyn
Published: August 2015

Current fossil, genetic, and archeological data indicate that Homo sapiens originated in Africa in the late Middle Pleistocene. By the end of the Late Pleistocene, our species was distributed across every continent except Antarctica, setting the foundations for the subsequent demographic and cultural changes of the Holocene. The intervening processes remain intensely debated and a key theme in hominin evolutionary studies. We review archeological, fossil, environmental, and genetic data to evaluate the current state of knowledge on the dispersal of Homo sapiens out of Africa. The emerging picture of the dispersal process suggests dynamic behavioral variability, complex interactions between populations, and an intricate genetic and cultural legacy. This evolutionary and historical complexity challenges simple narratives and suggests that hybrid models and the testing of explicit hypotheses are required to understand the expansion of Homo sapiens into Eurasia.
Structural insights into aberrant cortical morphometry and network organization in psychogenic erectile dysfunction
Authors: Zhao Lu , Guan Min , Zhang Xiangsheng , Karama Sherif , Khundrakpam Budhachandra , Wang Meiyun , Dong Minghao , Qin Wei , Tian Jie , Evans Alan C. , Shi Dapeng
Published: August 2015

Functional neuroimaging studies have revealed abnormal brain dynamics of male sexual arousal (SA) in psychogenic erectile dysfunction (pED). However, the neuroanatomical correlates of pED are still unclear. In this work, we obtained cortical thickness (CTh) measurements from structural magnetic resonance images of 40 pED patients and 39 healthy control subjects. Abnormalities in CTh related to pED were explored using a scale space search based brain morphometric analysis. Organizations of brain structural covariance networks were analyzed as well. Compared with healthy men, pED patients showed significantly decreased CTh in widespread cortical regions, most of which were previously reported to show abnormal dynamics of male SA in pED, such as the medial prefrontal, orbitofrontal, cingulate, inferotemporal, and insular cortices. CTh reductions in these areas were found to be significantly correlated with male sexual functioning degradation. Moreover, pED patients showed decreased interregional CTh correlations from the right lateral orbitofrontal cortex to the right supramarginal gyrus and the left angular cortex, implying disassociations between the cognitive, motivational, and inhibitory networks of male SA in pED. This work provides structural insights on the complex phenomenon of psychogenic sexual dysfunction in men, and suggests a specific vulnerability factor, possibly as an extra “organic” factor, that may play an important role in pED. Hum Brain Mapp 36:4469–4482, 2015. © 2015 Wiley Periodicals, Inc.
Bcl‐2 is required for the survival of doublecortin‐expressing immature neurons
Authors: Ceizar Maheen , Dhaliwal Jagroop , Xi Yanwei , Smallwood Megan , Kumar Keren Leviel , Lagace Diane C.
Published: August 2015

In the adult brain only a small proportion of the neural stem and progenitor cells (NPCs) and their progeny survive to become mature neurons in the hippocampus. Recent studies have elucidated the roles for members of the B‐cell lymphoma‐2 (Bcl‐2) family of proteins in regulating the survival of NPCs and their progeny at different stages of maturation, yet the requirement of Bcl‐2 during this process remains unknown. Here we report that inducible removal of Bcl‐2 from nestin‐expressing neural stem/progenitor cells and their progeny resulted in a reduction in the survival of doublecortin‐expressing cells in the absence of changing the number of radial‐glial stem cells or dividing NPCs. The requirement of Bcl‐2 for the survival of maturing NPCs was confirmed by removal of Bcl‐2 through infecting NPCs using a retroviral strategy that resulted in the complete loss of Bcl‐2 null cells by 30‐day post‐viral injection. Furthermore, we observed that the function of Bcl‐2 in the adult‐generated neurons was dependent on the Bcl‐2‐associated X (BAX) protein, since Bcl‐2 null NPCs were rescued in BAX knockout mice. These results indicate that Bcl‐2 is an essential regulator in the survival of doublecortin‐expressing immature neurons through a mechanism that is upstream of BAX. © 2015 Wiley Periodicals, Inc.
Synthesis and NMR Spectroscopic Elucidation of Four Diastereoisomers of Oxygenated Bisabolane Side Chain
Authors: Hirai Misaki , Miyazaki Rurina , Mitsui Kana , Kiuchi Kota , Onuki Hiroyuki , Hirota Hiroshi , Kuroda Chiaki
Published: August 2015

Four possible stereoisomers of a model compound of highly O‐bearing bisabolane sesquiterpenes were synthesized and their NMR spectra were compared. Starting from isopulegol, allylic oxidation and Grignard reaction afforded a mixture of alcohols at C(8), which was separated. After metathesis reaction, both α‐ and β‐epoxides were obtained via non‐stereoselective epoxidation, while VO(OiPr)3‐catalyzed epoxidation afforded a single diastereoisomer selectively. NMR Spectra of twelve synthesized compounds, four stereoisomers of acetates, isobutyrates, and tiglates, were measured. A difference between C(8α)‐ and C(8β)‐acyloxy isomers was observed in the δ‐values of HC(8) in CDCl3. Within the 8β‐acyloxy compounds, the α‐ and the β‐epoxides were distinguished by either the J‐value of HC(8) or the chemical shift of CH2(9). Within the 8α‐acyloxy compounds, two epoxide isomers were distinguished by the J‐value of HC(10) in C6D6 or in CD3OD.
Three New Lignan Derivatives from Lindera glauca (Siebold et Zucc.) Blume
Authors: Suh Won Se , Kim Ki Hyun , Kim Ho Kyung , Choi Sang Un , Lee Kang Ro
Published: August 2015

Two new aryl‐tetralin lignan glycosides, linderanosides A and B (1 and 2, resp.), and a new dihydrobenzofuran neolignan glycoside, linderanoside C (3), together with five known lignan derivatives (4–8) were isolated from the trunk of Lindera glauca. The structures of these new compounds were determined through spectroscopic analyses, including extensive 2D‐NMR data and acid hydrolysis. The absolute configurations of the compounds were clarified by circular dichroism (CD) spectroscopic studies. Compounds 1–8 were evaluated for their cytotoxicity against A549 (non‐small cell lung adenocarcinoma), SK‐OV‐3 (ovarian cancer cells), A498 (human kidney epithelial cells), and HCT‐15 (colon cancer cells) human tumor cell lines using sulforhodamine B assays in vitro.
Glycopentosides D – F, Three New Phenolic Glycosides from Glycosmis pentaphylla
Authors: Chen Yu , Tian Er‐Li , Hu Xin , Li Jun , Yang Guang‐Zhong
Published: August 2015

A phytochemical investigation of the BuOH‐soluble fraction of the EtOH extract from the stems of Glycosmis pentaphylla resulted in the isolation of three new phenolic glycosides, glycopentosides D–F (1–3, resp.). Their structures were determined by using spectroscopic analysis including UV, 1H‐ and 13C‐NMR, DEPT, COSY, ROESY, HMBC, HSQC, HR‐ESI‐MS, and acid hydrolysis.
Cellular activity of Wharton's Jelly‐derived mesenchymal stem cells on electrospun fibrous and solvent‐cast film scaffolds
Authors: Bagher Zohreh , Ebrahimi‐Barough Somayeh , Azami Mahmoud , Safa Majid , Joghataei Mohammad Taghi
Published: August 2015

It was shown that topography and surface chemistry of materials influence cell behaviors. In this study, the effects of chemistry and topography of scaffold surface on adhesion, proliferation and differentiation of Wharton's Jelly mesenchymal (WJMSCs) stem cells into motor neurons were investigated. WJMSCs were cultivated in an neurogenic inductive medium on the surface of modified and unmodified polycaprolactone (PCL) electrospun fibrous and solvent‐cast film scaffolds. All the scaffolds were characterized according to their ability to support cell attachment and viability by SEM and MTT assay. The expression of motor neuron‐specific markers was assayed by real‐time PCR after 15days post induction. Results showed that attachment, proliferation and differentiation of WJMSCs into motor neuron‐like cells on the nanotopographic surface was higher than that of the cells on the solvent‐cast scaffolds. In addition, regardless of their topography, WJMSCs cultured on collagen‐coated PCL nanofibrous showed results similar to collagen‐coated PCL films. Results suggested that surface chemistry has more impact on WJMSCs behaviour rather than topography. In conclusion, collagen‐coated electrospun PCL have potential for being used in neural tissue engineering because of its bioactive and three‐dimensional structure which enhance viability and differentiation of WJMSCs. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 218–226, 2016.
Prophylactic and Therapeutic Potential of Acetyl‐l‐carnitine against Acetaminophen‐Induced Hepatotoxicity in Mice
Authors: Alotaibi Salman A. , Alanazi Abdulrazaq , Bakheet Saleh A. , Alharbi Naif O. , Nagi Mahmoud N.
Published: August 2015

Prophylactic and therapeutic effects of acetylcarnitine against acetaminophen‐induced hepatotoxicity were studied in mice. To evaluate the prophylactic effects of acetylcarnitine, mice were supplemented with acetylcarnitine (2 mmol/kg/day per oral (p.o.) for 5 days) before a single dose of acetaminophen (350 mg/kg intraperitoneal (i.p.)). Animals were sacrificed 6 h after acetaminophen injection. Acetaminophen significantly increased the markers of liver injury, hepatic reactive oxygen species, and nitrate/nitrite, and decreased hepatic glutathione (GSH) and the antioxidant enzymes. Acetylcarnitine supplementation resulted in reversal of all biochemical parameters toward the control values. To explore the therapeutic effects of acetylcarnitine, mice were given a single dose of acetylcarnitine (0.5, 1, and 2 mmol/kg p.o.) 1.5 h after acetaminophen. Animals were sacrificed 6 h after acetaminophen. Acetylcarnitine administration resulted in partial reversal of liver injury only at 2 mmol/kg p.o. At equimolar doses, N‐acetylcystiene was superior as therapeutic agent to acetylcarnitine. However, acetylcarnitine potentiated the effect of N‐acetylcystiene in the treatment of acetaminophen toxicity.
Van der Waals Effects on semiconductor clusters
Authors: Li Haisheng , Chen Weiguang , Han Xiaoyu , Li Liben , Sun Qiang , Guo Zhengxiao , Jia Yu
Published: August 2015

Van der Waals (vdW) interactions play an important role on semiconductors in nanoscale. Here, we utilized first‐principles calculations based on density functional theory to demonstrate the growth mode transition from prolate to multiunit configurations for Gen (n = 10–50) clusters. In agreement with the injected ion drift tube techniques that “clusters with n < 70 can be thought of as loosely bound assemblies of small strongly bound fragments (such as Ge7 and Ge10),” we found these stable fragments are connected by Ge6, Ge9, or Ge10 unit (from bulk diamond), via strong covalent bonds. Our calculated cations usually fragment to Ge7 and Ge10 clusters, in accordance with the experiment results that the spectra Ge7 and Ge10 correspond to the mass abundance spectra. By controlling a germanium cluster with vdW interactions parameters in the program or not, we found that the vdW effects strengthen the covalent bond from different units more strikingly than that in a single unit. With more bonds between units than the threadlike structures, the multiunit structures have larger vdW energies, explaining why the isolated nanowires are harder to produce. © 2015 Wiley Periodicals, Inc.
Sonography of the chest wall: A pictorial essay
Authors: Lee Ryan Ka Lok , Griffith James Francis , Ng Alex Wing Hung , Sitt Jacqueline Ching Man
Published: August 2015

Ultrasound (US) is increasingly being used as the first‐line imaging modality for investigating the chest wall for soft tissue and bony lesions. This article describes the technique used for the US examination, the relevant chest‐wall anatomy, and the appearances on US scanning of pathologic entities either unique to or common in the region of the chest wall. © 2015 Wiley Periodicals, Inc. J Clin Ultrasound 43:525–537, 2015
Sarcopenia impairs survival in patients with potentially curable hepatocellular carcinoma
Authors: Levolger Stef , van Vledder Mark G. , Muslem Rahat , Koek Marcel , Niessen Wiro J. , de Man Rob A. , de Bruin Ron W. F. , Ijzermans Jan N. M.
Published: August 2015

Background

A reduction in skeletal muscle mass (sarcopenia) independently predicts poor survival in patients with hepatocellular carcinoma (HCC) undergoing treatment with curative intent. Whether this is due to an increased risk of recurrence and disease specific death, or due to an increased risk of postoperative morbidity and mortality is currently unclear. In this study, we investigate the association between sarcopenia and death in a cohort of HCC patients undergoing treatment with curative intent.

Methods

Patients undergoing surgical resection or radiofrequency ablation for lesions ≤ 3 cm between 2002 and 2013 were identified. Clinicopathological characteristics, CT‐assessed sarcopenia and outcomes were analyzed.

Results

Among 90 patients, 52 (57.8%) were found to be sarcopenic. Sarcopenic patients had a limited overall survival (median: 33 months vs. non‐sarcopenic median: 105 months; P = 0.002), but not disease‐free survival. Sarcopenia was an independent predictor for overall survival in multivariate Cox‐regression analysis (HR 3.756; P = 0.001). Major complications (32.7% vs. 13.2%, P = 0.033) and treatment‐related mortality (17.3% vs. 2.6%, P = 0.029) were more frequent in sarcopenic patients.

Conclusion

Sarcopenia impairs survival in patients with potentially curable hepatocellular carcinoma, mainly due to an increase in treatment‐related mortality. J. Surg. Oncol. 2015 111:208–213. © 2015 Wiley Periodicals, Inc.
Transoral robotic surgery (TORS) for laryngeal and hypopharyngeal cancers
Authors: Dziegielewski Peter T. , Kang Stephen Y. , Ozer Enver
Published: August 2015

Transoral robotic surgery (TORS) is increasingly used in laryngeal/hypopharyngeal cancer surgery. Ablative procedures described in these anatomical sites include: (i) supraglottic laryngectomy, (ii) total laryngectomy, (iii) glottic cordectomy, and (iv) partial pharyngectomy. TORS supraglottic laryngectomy remains the most commonly performed of these procedures. Initial oncologic and functional outcomes with these procedures are promising and comparable to other treatment options. As robotic instrumentation technology advances a rise in TORS laryngeal/hypopharyngeal surgery is anticipated. J. Surg. Oncol. 2015;112:702–706. © 2015 Wiley Periodicals, Inc.
Effect of three different chin‐down maneuvers on Swallowing pressure in healthy young adults
Authors: Matsubara Keigo , Kumai Yoshihiko , Kamenosono Yuta , Samejima Yasuhiro , Yumoto Eiji
Published: August 2015

Objectives/Hypothesis

To determine the effects of three different chin‐down maneuvers on swallowing pressure (SP) in healthy young adults using high‐resolution manometry (HRM).

Study Design

Repeated measures with subjects serving as their own controls.

Methods

Twenty‐six healthy subjects (average age 26.4 [range 21–35] years) swallowed 5 mL of cold water to examine the maximum swallowing pressure (MSP) at the velopharynx, meso‐hypopharynx, and upper esophageal sphincter (UES), and to determine the duration of lowered SP at the UES using HRM. The subjects swallowed in the neutral position as a control and in the following three chin‐down positions: 1) head flexion (HF); 2) neck flexion (NF); and 3) combined head and neck flexion (HFNF).

Results

The MSP at the velopharynx and meso‐hypopharynx did not significantly differ among the three chin‐down positions. Upon swallowing in the NF posture, the MSP was significantly lower (P < 0.0001) at the UES, and the duration of the lowered SP at the UES was significantly prolonged (P = 0.0010) compared to the neutral position. In comparison, the duration of lowered SP at the UES was significantly (P = 0.0001) shorter in the HF position than in the neutral position. Moreover, the HFNF position significantly (P = 0.0276) lowered the MSP at the UES compared to the control position.

Conclusion

In young healthy adults, NF maneuver resulted in significantly lower MSP and longer duration of the lowered swallowing pressure at the UES, which might assist bolus passage through the UES.

Level of Evidence

3b. Laryngoscope, 126:437–441, 2016
The effect of Sc and Yb microalloying additions and aged‐hardening heat treatment on corrosion behavior of Al–Mg alloys
Authors: Tuan N. Q. , Alves A. C. , Toptan F. , Lopes A. B. , Pinto A. M. P.
Published: August 2015

Sc‐containing Al alloys are potentially applied in saline environment. However, the corrosion behavior and its mechanisms of Sc–containing Al alloys have not been paid much attention. In this research, the corrosion behavior of Al–4Mg, Al–4Mg–0.3Sc, and Al–4Mg–0.24Sc–0.06Yb alloys was investigated in 3.5 wt% NaCl solution by immersion and potentiodynamic polarization analysis. Scanning electron microscope (SEM), transmission electron microscopy (TEM) and high‐resolution TEM were used to characterize intermetallic phases and localized corrosion. The results showed that the Fe–containing intermetallic particles are cathodic with respect to the matrix and can lead to localized corrosion, whereas the high content of Mg makes the Fe‐containing intermetallic particle less noble to the matrix. Yb‐containing intermetallic particles did not show any dissolution of the matrix at the periphery of these particles. The results indicated that active dissolution and localized corrosion were the dominant corrosion mechanisms for Al–4Mg alloy. However the polarization curves of Al–4Mg–0.3Sc and Al‐4Mg–0.24Sc–0.06Yb alloys showed spontaneous passivation followed by pitting corrosion. Results suggested that age‐hardening heat treatment improved the stability of the passive film on Al–4Mg–0.3Sc and Al–4Mg–0.24Sc–0.06Yb alloys.
In vitro corrosion behavior of Mg‐5Zn alloy containing low Y contents
Authors: Jafari H. , Rahimi F. , Sheikhsofla Z.
Published: August 2015

This study mainly investigated the impact of small amounts of yttrium (Y: 0.1–1.5 wt%) on in vitro corrosion behavior of Mg‐5Zn bioimplant alloy in simulated body fluid. Optical and scanning electron microcopies, energy dispersive X‐ray spectroscopy and X‐ray diffraction analysis were used to assess the microstructure of the alloys. Immersion and electrochemical tests were performed to investigate the degradation behavior of the alloys. Microstructural refinement was observed through increasing Y content, from 317 to 84 μm in grain size for Mg‐5Zn and Mg‐5Zn‐1.5Y alloys, respectively. Moreover, it was found that the addition of more than 0.3 wt% of Y forms I‐phase particles, whereas the content of 1.5 wt% Y forms I‐ and W‐ternary phases in Mg‐5Zn alloy. The results also showed that the addition of Y improves the corrosion behavior of Mg‐5Zn alloy, and the Mg‐5Zn‐0.7Y alloy was found to degrade more slowly than other alloys. This introduces Mg‐5Zn‐0.7Y alloy as a good candidate for bioimplant applications.