bluuebunny/crossref_metadata_2025 huggingface dataset:
Probing into the binding interaction between medroxyprogesterone acetate and bovine serum albumin (BSA): spectroscopic and molecular docking methods
Authors: Fang Fang , Pan Dong‐qi , Qiu Min‐jie , Liu Ting‐Ting , Jiang Min , Wang Qi , Shi Jie‐hua
Published: January 2016

To further understand the mechanism of action and pharmacokinetics of medroxyprogesterone acetate (MPA), the binding interaction of MPA with bovine serum albumin (BSA) under simulated physiological conditions (pH 7.4) was studied using fluorescence emission spectroscopy, synchronous fluorescence spectroscopy, circular dichroism and molecular docking methods. The experimental results reveal that the fluorescence of BSA quenches due to the formation of MPA–BSA complex. The number of binding sites (n) and the binding constant for MPA–BSA complex are ~1 and 4.6 × 103 M−1 at 310 K, respectively. However, it can be concluded that the binding process of MPA with BSA is spontaneous and the main interaction forces between MPA and BSA are van der Waals force and hydrogen bonding interaction due to the negative values of ΔG0, ΔH0 and ΔS0 in the binding process of MPA with BSA. MPA prefers binding on the hydrophobic cavity in subdomain IIIA (site II′′) of BSA resulting in a slight change in the conformation of BSA, but BSA retaining the α‐helix structure. Copyright © 2016 John Wiley & Sons, Ltd.
Metabolite identification of the antimalarial piperaquine in vivo using liquid chromatography–high‐resolution mass spectrometry in combination with multiple data‐mining tools in tandem
Authors: Yang Aijuan , Zang Meitong , Liu Huixiang , Fan Peihong , Xing Jie
Published: January 2016

Artemisinin‐based combination therapy is widely used for the treatment of uncomplicated Plasmodium falciparum malaria, and piperaquine (PQ) is one of important partner drugs. The pharmacokinetics of PQ is characterized by a low clearance and a large volume of distribution; however, metabolism of PQ has not been thoroughly investigated. In this work, the metabolite profiling of PQ in human and rat was studied using liquid chromatography tandem high‐resolution LTQ‐Orbitrap mass spectrometry (HRMS). The biological samples were pretreated by solid‐phase extraction. Data processes were carried out using multiple data‐mining techniques in tandem, i.e., isotope pattern filter followed by mass defect filter. A total of six metabolites (M1–M6) were identified for PQ in human (plasma and urine) and rat (plasma, urine and bile). Three reported metabolites were also found in this study, which included N‐oxidation (M1, M2) and carboxylic products (M3). The subsequent N‐oxidation of M3 resulted in a new metabolite M4 detected in urine and bile samples. A new metabolic pathway N‐dealkylation was found for PQ in human and rat, leading to two new metabolites (M5 and M6). This study demonstrated that LC‐HRMSn in combination with multiple data‐mining techniques in tandem can be a valuable analytical strategy for rapid metabolite profiling of drugs. Copyright © 2016 John Wiley & Sons, Ltd.
Interaction between MLL3 genetic polymorphisms, smoking, and alcohol drinking in laryngeal cancer: a case–control study
Authors: Chen Dong , Gong Liang , Jiang Qichuan , Wang Xuefeng , Zhang Bin
Published: January 2016

A previous study indicated that MLL3 genetic polymorphisms were associated with human cancer. However, whether MLL3 genetic variants are associated with the risk of laryngeal cancer is not clear. This study investigated the association between MLL3 gene polymorphisms and laryngeal cancer in a Chinese population. Four polymorphisms of the MLL3 gene (rs6943984, rs4725443, rs3800836, rs6464211) were genotyped using the TaqMan method in 592 patients with larynx cancer and 602 age‐ and sex‐matched noncancer controls. We found that rs6943984 and rs4725443 of the MLL3 gene were significantly associated with the risk of larynx cancer after Bonferroni correction. The minor allele A for rs6943984 was associated with increased larynx cancer risk (P < 0.001, OR = 1.960, 95% CI = 1.587–2.420). C allele frequency (0.151) for rs4725443 was significantly higher in the case group than the control group (0.072, P < 0.001). Haplotype analyses showed that haplotypes A‐T‐A‐C and G‐T‐G‐C increased the risk of laryngeal cancer (OR = 2.406, 95% CI: 1.820–3.180, P < 0.001; OR = 1.399, 95% CI: 1.180–1.659, respectively), and haplotypes G‐T‐A‐C and G‐T‐G‐T significantly reduced the risk of laryngeal cancer (OR = 0.332, 95% CI: 0.271–0.408, P < 0.001; OR = 0.742, 95% CI: 0.607–0.908, respectively). We also found that MLL3 rs6943984 and rs4725443 polymorphisms had synergistic effects with smoking or alcohol drinking for the risk of laryngeal cancer. This study indicated that MLL3 genetic polymorphisms and haplotypes were associated with larynx cancer in a Chinese population. There was a mutually synergistic effect between smoking, alcohol drinking, and MLL3 gene polymorphisms for laryngeal cancer.
Protein Camouflage: Supramolecular Anion Recognition by Ubiquitin
Authors: Mallon Madeleine , Dutt Som , Schrader Thomas , Crowley Peter B.
Published: January 2016

Progress in the field of bio‐supramolecular chemistry, the bottom‐up assembly of protein–ligand systems, relies on a detailed knowledge of molecular recognition. To address this issue, we have characterised complex formation between human ubiquitin (HUb) and four supramolecular anions. The ligands were: pyrenetetrasulfonic acid (4PSA), p‐sulfonato‐calix[4]arene (SCLX4), bisphosphate tweezers (CLR01) and meso‐tetrakis (4‐sulfonatophenyl)porphyrin (TPPS), which vary in net charge, size, shape and hydrophobicity. All four ligands induced significant changes in the HSQC spectrum of HUb. Chemical shift perturbations and line‐broadening effects were used to identify binding sites and to quantify affinities. Supporting data were obtained from docking simulations. It was found that these weakly interacting ligands bind to extensive surface patches on HUb. A comparison of the data suggests some general indicators for the protein‐binding specificity of supramolecular anions. Differences in binding were observed between the cavity‐containing and planar ligands. The former had a preference for the arginine‐rich, flexible C terminus of HUb.
RARα mediates all‐trans‐retinoic acid‐induced VEGF‐C, VEGF‐D, and VEGFR3 expression in lung cancer cells
Authors: Kalitin Nikolay N. , Karamysheva Aida F.
Published: January 2016

The regulation of vascular endothelial growth factors C (VEGF‐C) and D (VEGF‐D), and their receptor VEGFR3 gene and protein expression by all‐trans‐retinoic acid (atRA) in A549 lung cancer cells, was investigated. We showed that atRA treatment increased VEGF‐C, VEGF‐D, and VEGFR3 protein and mRNA contents in dose‐dependent manner. atRA‐mediated increase of both ligands and receptor expression correlated with the elevated level of retinoic acid receptor α (RARα) expression, while the level of another atRA receptor, peroxisome proliferator‐activated receptor β/δ (PPARβ/δ), was decreased. We demonstrated that the classical counterpart of RARα, retinoid X receptor α (RXRα), was down‐regulated in both cytoplasm and nucleus of A549 cells upon atRA addition. On the contrary, the nuclear quantity of another possible RARα counterpart, transcription factor Sp1, was increased after atRA treatment.
Barium Carbonate Nanoparticles as Synergistic Catalysts for the Oxygen Reduction Reaction on La0.6Sr0.4Co0.2Fe0.8O3−δ Solid‐Oxide Fuel Cell Cathodes
Authors: Hong Tao , Brinkman Kyle S. , Xia Changrong
Published: January 2016

Barium carbonate (BaCO3) nanoparticles have been demonstrated to have excellent synergistic catalytic activity for the oxygen reduction reaction on La0.6Sr0.4Co0.2Fe0.8O3−δ (LSCF) and LSCF‐SDC (SDC=Sm0.2Ce0.8O1.9), which are typical mixed conducting electrode materials for solid‐oxide fuel cells (SOFCs). The BaCO3 nanoparticles were deposited into the porous electrodes through an infiltration/impregnation method with barium acetate as the precursor. Electrochemical impedance analysis indicated that BaCO3 dramatically reduced the resistance associated with the low‐frequency response, which suggests that BaCO3 greatly enhances the kinetics of the surface reaction process. Electrical conductivity relaxation experiments revealed that BaCO3 particles enlarged the oxygen chemical surface exchange coefficient by a factor of up to eight. As a result, the interfacial polarization resistance of both the LSCF and LSCF‐SDC electrodes was greatly reduced, from 0.28 and 0.13 to 0.12 and 0.047 Ω cm2, respectively, at 700 °C. In addition, the single‐cell performance was also improved and demonstrated peak power density from 0.66 and 0.71 to 0.73 and 0.81 W cm2 for the LSCF and LSCF‐SDC cathodes, respectively, at 700 °C. The LSCF electrode infiltrated with BaCO3 nanoparticles also exhibited higher stability than the bare LSCF electrode in tests conducted under typical SOFC conditions for over 340 h of operation.
ChemInform Abstract: Synthesis of P‐Stereogenic Phosphoramidite and Phosphorodiamidite Ligands and Their Application in Asymmetric Catalysis.
Authors: Schmitz Christian , Leitner Walter , Francio Giancarlo
Published: January 2016

A library of novel P‐stereogenic phosphoramidite and phosphorodiamidite ligands based on chiral Betti bases are synthesized (not shown) and applied to Rh‐catalyzed asymmetric hydrogenation as well as Pd‐catalyzed allylic amination and a Ni‐catalyzed hydrovinylation.
ChemInform Abstract: Asymmetric Multicomponent Sulfa‐Michael/Mannich Cascade Reaction: Synthetic Access to 1,2‐Diamino‐3‐organosulfur Compounds and 2‐Nitro Allylic Amines.
Authors: Hou Wenduan , Wei Qi , Liu Guisheng , Chen Jing , Guo Jing , Peng Yungui
Published: January 2016

A novel asymmetric three‐component sulfa‐Michael/Mannich cascade reaction using a thiourea‐substituted quinine catalyst (UQN) leads to 1‐amino‐2‐nitro‐3‐arylalkyl thioether derivatives (IV) and (IX) with three stereocenters.
ChemInform Abstract: Ruthenium Catalyzed Selective Hydroboration of Carbonyl Compounds.
Authors: Kaithal Akash , Chatterjee Basujit , Gunanathan Chidambaram
Published: January 2016

The Ru‐catalyzed hydroboration of aldehydes (I) and (III) followed by hydrolysis of the intermediate boronate esters with HCl affords primary alcohols (II) and (IV), resp., in high yields.
ChemInform Abstract: Copper‐Catalyzed Cross‐Coupling of Allylboronic Acids with α‐Diazoketones.
Authors: Das Arindam , Wang Dong , Belhomme Marie‐Charlotte , Szabo Kalman J.
Published: January 2016

This allylation reaction proceeds with high regioselectivity to afford the corresponding branched products by retaining the keto functional group of the α‐diazoketone precursor.
ChemInform Abstract: Chiral Recyclable Fluorous Disulfonamide Ligand for Catalytic Enantioselective Cyclopropanation of Allylic Alcohols.
Authors: Kawashima Yuya , Ezawa Tetsuya , Yamamura Mai , Harada Taisuke , Noguchi Takuya , Miura Tsuyoshi , Imai Nobuyuki
Published: January 2016

The products are obtained in very high yields and with high enantiomeric excess.
ChemInform Abstract: Palladium‐Catalyzed Allylic Amination of Homoallylic Alcohols with Amines via Carbon—Carbon Bond Cleavage.
Authors: Sun Gui‐Jun , Wang Yong , Kang Qiang
Published: January 2016

The reaction tolerates various aryl and alkyl amines with the latter furnishing significantly lower product yields.
ChemInform Abstract: Enantioselective Synthesis of 4,4′‐Biaryl‐BINOLs from Arynes and β‐Diketones.
Authors: Okuma Kentaro , Horigami Kenta , Nagahora Noriyoshi , Shioji Kosei
Published: January 2016

The title process is achieved following a short two‐step procedure consisting of the preparation of 4‐aryl‐substituted naphthols and subsequent oxidation.
ChemInform Abstract: Chiral Substituted 3‐Formylfurans from Carbohydrates: An Expedient Route via N‐Bromosuccinimide (NBS)‐Mediated Electrophilic Cyclization.
Authors: Mal Kanchan , Kaur Amanpreet , Das Indrajit
Published: January 2016

The efficient and general method for the synthesis of the title furans involves a Heck coupling between substituted iodoenones and olefins followed by NBS‐mediated electrophilic cyclization using H2O as a nucleophile.
ChemInform Abstract: Synthesis and Properties of Ethene‐Bridged Terthiophenes.
Authors: Mitsudo Koichi , Sato Hidehiko , Yamasaki Arata , Kamimoto Natsuyo , Goto Jun , Mandai Hiroki , Suga Seiji
Published: January 2016

Short synthetic routes to ethene‐bridged terthiophenes such as (IV) and (VII) are elaborated.
ChemInform Abstract: An Efficient Route to 3‐Trifluoromethylpyrazole via Cyclization/1,5‐H Shift and Its Applications in the Synthesis of Bioactive Compounds.
Authors: Wang Yongdong , Han Jing , Chen Jie , Cao Weiguo
Published: January 2016

The method can be applied to synthesize compounds like SC‐560 (IVc) and the precursor of Mavacoxib (IVe).
ChemInform Abstract: Efficient Synthesis of 3‐Alkynyl‐2‐(hydroxymethyl)cyclohex‐2‐en‐1‐ones by a Stork—Danheiser Sequence from Vinylogous Esters and Terminal Alkynes.
Authors: Parida Amarchand , Sharique Mohd. , Kakde Badrinath N. , Ghosh Santanu , Bisai Alakesh
Published: January 2016

Further transformation of the products into isocoumarin derivatives is shown.
ChemInform Abstract: Stereospecific Coupling of Boronic Esters with N‐Heteroaromatic Compounds.
Authors: Llaveria Josep , Leonori Daniele , Aggarwal Varinder K.
Published: January 2016

Functionalized 2‐ and 4‐lithiopyridines as well as 2‐ and 4‐lithioquinolines and 1‐lithioisoquinoline are efficiently coupled with various primary and secondary pinacolates and, in case of 4‐lithiopyridines and 4‐lithioquinolines, even with tertiary pinacolates.
ChemInform Abstract: Cycloaddition of Enamine and Iminium Ion Intermediates Formed in the Reaction of N‐Arylpyrrolidines with T‐HYDRO.
Authors: Rao Gunda Ananda , Periasamy Mariappan
Published: January 2016

The title intermediates react further to give tetracyclic amines [e.g. (II)], cyclic amides [e.g. (III)], or nitromethyl derivatives [e.g. (V)] under different conditions.
ChemInform Abstract: Isolation of Two New Bioactive Sesquiterpene Lactone Glycosides from the Roots of Ixeris dentata
Authors: Park SeonJu , Nhiem Nguyen Xuan , Lee Taek Hwan , Kim Nanyoung , Kim Sun Yeou , Chae Han‐Jung , Kim Seung Hyun
Published: January 2016

isolation and structure elucidation of two new sesquiterpene lactone glycosides (I) and (II)
ChemInform Abstract: Two New Sesquiterpenoids from the Root of Strophanthus divaricatus
Authors: Chen Neng‐Hua , Zhang Yu‐Bo , Li Zhen‐Hua , Jiang Jian‐Wei , Li Guo‐Qiang , Wang Guo‐Cai , Li Yao‐Lan
Published: January 2016

isolation and structure elucidation of strophanthoids A (I) and B (II)
ChemInform Abstract: Synthesis of (.+‐.)‐(Z)‐2β‐Hydroxy‐14‐hydro‐β‐santalol Employing Tandem Radical Cyclization.
Authors: Ishigami Ken , Yamada Shinya , Watanabe Hidenori
Published: January 2016

The synthesis of the title sesquiterpene (IV), a potent inhibitor of H.
ChemInform Abstract: New Arylalkanones from Horsfieldia macrobotrys, Effective Antidiabetic Agents Concomitantly Inhibiting α‐Glucosidase and Free Radicals.
Authors: Ramadhan Rico , Phuwapraisirisan Preecha
Published: January 2016

isolation and structure elucidation of horsfieldone A (I), maingayone D (II), and 8‐C‐β‐D‐glycopyranosylpinocembrin (III)
ChemInform Abstract: Cytotoxic Metabolites Produced by the Endophytic Fungus Aspergillus clavatus
Authors: Wang Jiaming , Bai Gang , Liu Yihan , Wang Hongbin , Li Yu , Yin Wanqiang , Wang Yonglu , Lu Fuping
Published: January 2016

isolation and structure elucidation of aspergillusones C (I) and D (II)
ChemInform Abstract: Non‐Precious Metal Complexes with an Anionic PCP Pincer Architecture
Authors: Murugesan Sathiyamoorthy , Kirchner Karl
Published: January 2016

Review: 87 refs.
ChemInform Abstract: Recent Advances on the Total Syntheses of Communesin Alkaloids and Perophoramidine
Authors: Trost Barry M. , Osipov Maksim
Published: January 2016

Review: [53 refs.
ChemInform Abstract: Rh Catalyzed Asymmetric Olefin Hydrogenation: Enamides, Enol Esters and Beyond
Authors: Kleman Patryk , Pizzano Antonio
Published: January 2016

Review: [63 refs.
ChemInform Abstract: Reactivity of Gold Complexes Towards Elementary Organometallic Reactions
Authors: Joost Maximilian , Amgoune Abderrahmane , Bourissou Didier
Published: January 2016

Review: [156 refs.
ChemInform Abstract: Recent Advances in Catalytic Asymmetric Reactions of o‐Quinone Methides
Authors: Wang Zhaobin , Sun Jianwei
Published: January 2016

Review: [41 refs.
ChemInform Abstract: Ionic Liquids as an Electrolyte for the Electro Synthesis of Organic Compounds
Authors: Kathiresan Murugavel , Velayutham David
Published: January 2016

Review: 160 refs.
ChemInform Abstract: What Do We Learn from the Molecular Self‐Assembly Process
Authors: Hiraoka Shuichi
Published: January 2016

Review: 16 refs.
ChemInform Abstract: Carbon‐Free Cathodes: A Step Forward in the Development of Stable Lithium—Oxygen Batteries
Authors: Landa‐Medrano Imanol , Pinedo Ricardo , Ortiz‐Vitoriano Nagore , de Larramendi Idoia Ruiz , Rojo Teofilo
Published: January 2016

Review: altenatives including metal oxides, noble metals, carbides/nitrides, polymers, and silicenes; 104 refs.
ChemInform Abstract: Dye‐Sensitized Semiconductors Modified with Molecular Catalysts for Light‐Driven H2 Production
Authors: Willkomm Janina , Orchard Katherine L. , Reynal Anna , Pastor Ernest , Durrant James R. , Reisner Erwin
Published: January 2016

Review: 50 refs.
SLK/LOSK kinase regulates cell motility independently of microtubule organization and Golgi polarization
Authors: Fokin Artem I. , Klementeva Tatiana S. , Nadezhdina Elena S. , Burakov Anton V.
Published: January 2016

Cell motility is an essential complex process that requires actin and microtubule cytoskeleton reorganization and polarization. Such extensive rearrangement is closely related to cell polarization as a whole. The serine/threonine kinase SLK/LOSK is a potential regulator of cell motility, as it phosphorylates a series of cytoskeleton‐bound proteins that collectively participate in the remodeling of migratory cell architecture. In this work, we report that SLK/LOSK is an indispensable regulator of cell locomotion that primarily acts through the small GTPase RhoA and the dynactin subunit p150Glued. Both RhoA and dynactin affect cytoskeleton organization, polarization, and general cell locomotory activity to various extents. However, it seems that these events are independent of each other. Thus, SLK/LOSK kinase effectively functions as a switch that links all of the processes underlying cell motility to provide robust directional movement. © 2016 Wiley Periodicals, Inc.
Label‐Free Fluctuation Spectroscopy Based on Coherent Anti‐Stokes Raman Scattering from Bulk Water Molecules
Authors: Rabasovic M. D. , Sisamakis E. , Wennmalm S. , Widengren J.
Published: January 2016

Nanoparticles (NPs) and molecules can be analyzed by inverse fluorescence correlation spectroscopy (iFCS) as they pass through an open detection volume, displacing fractions of the fluorescence‐emitting solution in which they are dissolved. iFCS does not require the NPs or molecules to be labeled. However, fluorophores in μm–mm concentrations are needed for the solution signal. Here, we instead use coherent anti‐Stokes Raman scattering (CARS) from plain water molecules as the signal from the solution. By this fully label‐free approach, termed inverse CARS‐based correlation spectroscopy (iCARS‐CS), NPs that are a few tenths of nm in diameter and at pM concentrations can be analyzed, and their absolute volumes/concentrations can be determined. Likewise, lipid vesicles can be analyzed as they diffuse/flow through the detection volume by using CARS fluctuations from the surrounding water molecules. iCARS–CS could likely offer a broadly applicable, label‐free characterization technique of, for example, NPs, small lipid exosomes, or microparticles in biomolecular diagnostics and screening, and can also utilize CARS signals from biologically relevant media other than water.
Electronic and Magnetic Properties of Encapsulated MoS2 Quantum Dots: The Case of Noble Metal Nanoparticle Dopants
Authors: Loh Guan Chee
Published: January 2016

With the rise of 2D materials, such as graphene and transition metal dichalcogenides, as viable materials for numerous experimental applications, it becomes more necessary to maintain fine control of their properties. One expedient and efficacious technique to regulate their properties is surface functionalization. In this study, DFT calculations are performed on triangular MoS2 quantum dots (QDs) either partially or completely doped with nanoparticles (NPs) of the noble metals Au, Ag, and Pt. The effects of these dopants on the geometry, electronic properties, magnetic properties, and chemical bonding of the QDs are investigated. The calculations show that the structural stability of the QDs is reduced by Au or Ag dopants, whereas Pt dopants have a contrasting effect. The NPs diminish the metallicity of the QD, the extent of which is contingent on the number of NPs adsorbed on the QD. However, these NPs exert distinctly disparate charge transfer effects—Ag NPs n‐dope the QDs, whereas Au and Pt NPs either n‐ or p‐dope. The molecular electrostatic potential maps of the occupied states show that metallic states are removed from the doping sites. Notwithstanding the decrease of magnetization in all three types of hybrid QD, the distribution of spin density in the Pt‐doped QD is inherently different from that in the other QDs. Bond analyses using the quantum theory of atoms in molecules and the crystal orbital Hamilton population suggest that bonds between the Pt NPs and the QDs are the most covalent and the strongest, followed by the Au−QD bonds, and then Ag−QD bonds. The versatility of these hybrid QDs is further examined by applying an external electric field in the three orthogonal orientations, and comparing their properties with those in the absence of the electric field. There are two primary observations: 1) dopants at the tail, head and tail, and in the fully encased configuration are most effective in modifying the distribution of metallic states if the electric field is absent, and 2) the metallic states in these aforementioned QDs are generally insensitive to the electric field. Conversely, the asymmetric electric effects on the charge transfer in these QDs have to be carefully monitored to allow finer control of their structural stability. This study aptly demonstrates the value of noble metal dopants for manipulating the properties of MoS2 QDs, and shows the versatility of these hybrid QDs as tunable nanodevices. This notably extends the functionality of these nanostructures for applications such as catalysis and nanoelectronics.
Near Infrared Phosphorescent, Non‐oxidizable Palladium and Platinum Perfluoro‐phthalocyanines
Authors: Łapok Łukasz , Obłoza Magdalena , Gorski Alexandr , Knyukshto Valeri , Raichyonok Tamara , Waluk Jacek , Nowakowska Maria
Published: January 2016

New PdII and PtII complexes with a highly electron‐deficient ligand (H2PcF64) were conveniently prepared in a three‐step synthesis. This is the first time that the phosphorescence of phthalocyanines with a H2PcF64 framework has been measured. Based on these measurements, the triplet‐state energies (ET) were directly determined. Transient absorption experiments revealed broad T1→Tn absorption spanning from ca. 350 to ca. 1000 nm and allowed determination of the triplet‐state lifetimes. Removal of the Pd or Pt from the perfluoro‐phthalocyanine resulted in a significant increase of the triplet lifetime for H2PcF64. The very efficient intersystem crossing observed for both PdPcF64 and PtPcF64 leads to residual fluorescence and suppresses the fluorescence lifetimes to less than 50 ps. The absence of Pd and Pt in the perfluoro‐phthalocyanine ligand, viz. H2PcF64, led to a recovery of fluorescence. Cyclic voltamperometry studies pointed to complete resistance of PdPcF64 and PtPcF64 to oxidation and very strong electron affinity, which rendered these materials very good electron acceptors (n‐type materials). The presence of d‐orbital metals such as PdII and PtII in the phthalocyanine ring stabilizes their reduced forms, as indicated by the spectroelectrochemical experiments. PdPcF64 and PtPcF64 easily sensitize singlet oxygen production with very high quantum yields. Both phthalocyanines presented resistance to photodegradation in the solid state under aerobic conditions and under intense irradiation.
Reversal of Orbital Symmetry Control in Electrocyclic Ring Closures through Craig‐Möbius Aromaticity
Authors: Mauksch Michael , Tsogoeva Svetlana B.
Published: January 2016

Experimentalists are challenged to find the organometallic thermal electrocyclizations that are computationally predicted to proceed with opposite stereoselectivity compared to their metal‐free parent 4n and 4n+2 π‐electron systems. While ring closure of, for example, s‐cis‐butadiene proceeds conrotatory, an iron alkyl complex formed by replacement of a (CH) unit by an [FeH] metal fragment results in a disrotatory electrocyclization.
Ultrabright Lanthanide Nanoparticles
Authors: Goetz Joan , Nonat Aline , Diallo Abdoulaye , Sy Mohamadou , Sera Ildan , Lecointre Alexandre , Lefevre Christophe , Chan Chi Fai , Wong Ka‐Leung , Charbonnière Loïc J.
Published: January 2016

Tb‐doped La0.9Tb0.1F3 nanoparticles were prepared by a simple and reproducible microwave‐assisted synthetic protocol in water. The nanoparticles were characterized by XRD, TEM, dynamic light scattering and inductively coupled plasma atomic emission spectroscopy elemental analysis. Eleven ligands with varying coordination and photosensitizing abilities were designed to bind at the surface of the Tb‐doped nanoparticles. The photosensitizing behavior was monitored by electronic absorption spectroscopy and steady‐state and time‐resolved emission spectroscopy. The two most effective photosensitizing ligands were used to isolate and purify the capped nanoparticles. The composition and spectroscopic properties of these nanoparticles were measured, which revealed either 2660 and 5240 ligands per nanoparticle, molar absorptivities of 7.6×106 and 1.6×107 m−1 cm−1 and luminescence quantum yields of 0.29 and 0.13 in water, respectively. These data correspond to exceptional brightness values of 2.2×106 and 2.1×106 m−1 cm−1, respectively. The as‐prepared nanoparticles were imaged in HeLa cells by fluorescence microscopy, which showed their specific localization in lysosomes.
Fostering Self‐Compassion and Loving‐Kindness in Patients With Borderline Personality Disorder: A Randomized Pilot Study
Authors: Feliu‐Soler Albert , Pascual Juan Carlos , Elices Matilde , Martín‐Blanco Ana , Carmona Cristina , Cebolla Ausiàs , Simón Vicente , Soler Joaquim
Published: January 2016

The aim of this randomized pilot study is to investigate the effects of a short training programme in loving‐kindness and compassion meditation (LKM/CM) in patients with borderline personality disorder. Patients were allocated to LKM/CM or mindfulness continuation training (control group). Patients in the LKM/CM group showed greater changes in Acceptance compared with the control group. Remarkable changes in borderline symptomatology, self‐criticism and self‐kindness were also observed in the LKM/CM group. Mechanistic explanations and therapeutic implications of the findings are discussed.

Highlights:

Three weeks of loving‐kindness and compassion meditations increased acceptance of the present‐moment experience in patients with borderline personality disorder.

Significant improvements in the severity of borderline symptoms, self‐criticism, mindfulness, acceptance and self‐kindness were observed after the LKM/CM intervention.

LKM/CM is a promising complementary strategy for inclusion in mindfulness‐based interventions and Dialectical Behavioural Therapy for treating core symptoms in borderline personality disorder.

Copyright © 2016 John Wiley & Sons, Ltd.
Oral health practices and prevalence of dental plaque and gingivitis among Indian adults
Authors: Sreenivasan P.K. , Prasad K.V.V. , Javali S. B.
Published: January 2016

This cross‐sectional survey study evaluated oral hygiene habits in conjunction with whole mouth examinations for dental plaque and gingivitis among adults in India. Subjects across several age groups who provided informed consent [220 male and 158 female (mean age 30.9 years)] were enrolled. All enrolled subjects were interviewed for oral hygiene practices and evaluated by the Turesky modification of the Quigley‐Hein and the Löe‐Silness methods for dental plaque and gingivitis, respectively. Evaluations included oral hygiene parameters, prevalence of dental plaque and gingivitis, and regional differences within the dentition for dental plaque and gingivitis. Results from this study indicate that most subjects (97%) utilized a toothbrush and toothpaste for oral hygiene with a majority (92%) using their right hand to brush their teeth. While 29% reported two or more episodes of daily oral hygiene, a majority (53%) brushed their teeth once daily. Utilization of dental floss and mouthwashes were reported by approximately 1% of this population, and most (73%) reported no dental visits in the preceding 5 years. Whole mouth plaque and gingival scores (average ± standard deviation) for this population were 2.47 ± 0.55 and 1.19 ± 0.31, respectively, with no significant differences between either gender (P > 0.05). Significant correlations (r > 0.44) were observed between plaque and gingival scores for the entire sample, either gender or between age groups (P < 0.001). Analyses indicate that anterior teeth demonstrated lower average scores for dental plaque and gingivitis than posterior and molar regions (P < 0.05). Education was associated with higher plaque and gingival scores: plaque scores [odds ratios; 95% confidence interval; 1.23; 1.01–1.50 and gingival scores odds ratios 1.25; 1.02–1.54]. In summary, results from this study demonstrate the prevalence of dental plaque and gingivitis in the general population and their relationships with demographic characteristics. They reinforce examinations of posterior regions that consistently harbor more plaque and corresponding gingivitis in evaluations of oral health.
Adaptive time delay estimation algorithm for indoor near‐field electromagnetic ranging
Authors: Wang Peng , Zhang Xiaotong , Sun Guolu , Xu Liyuan , Xu Jinwu
Published: January 2016

The near‐field electromagnetic ranging technology exploits the near‐field behavior of radio signals to measure distance in indoor real‐time location system. In this paper, we propose a new adaptive time‐delay estimation algorithm based on maximum correntropy criterion (MCC) and received signal strength indication (RSSI), abbreviated as RSSIMCC. The proposed RSSIMCC algorithm estimates the time delay between the electric and magnetic components of low‐frequency signals in the near field instead of detecting the phase difference. An inaccurate time‐delay estimation value obtained according to the RSSI is used as the initial time delay of adaptive time‐delay estimator, which is not far from the true time delay and can improve the convergence speed. Through the analysis of simulation and experiment results, we conclude that the proposed RSSIMCC algorithm can estimate the time delay with small steady‐state error in near‐field electromagnetic ranging application. Then the time delay estimated by RSSIMCC algorithm can be exploited based on the near‐field behavior of radio signals for ranging in an indoor environment. Copyright © 2016 John Wiley & Sons, Ltd.
Developmental nicotine exposure alters cholinergic control of respiratory frequency in neonatal rats
Authors: Wollman Lila B. , Haggerty Jarl , Pilarski Jason Q. , Levine Richard B. , Fregosi Ralph F.
Published: January 2016

Prenatal nicotine exposure with continued exposure through breast milk over the first week of life (developmental nicotine exposure, DNE) alters the development of brainstem circuits that control breathing. Here, we test the hypothesis that DNE alters the respiratory motor response to endogenous and exogenous acetylcholine (ACh) in neonatal rats. We used the brainstem‐spinal cord preparation in the split‐bath configuration, and applied drugs to the brainstem compartment while measuring the burst frequency and amplitude of the fourth cervical ventral nerve roots (C4VR), which contain the axons of phrenic motoneurons. We applied ACh alone; the nicotinic acetylcholine receptor (nAChR) antagonist curare, either alone or in the presence of ACh; and the muscarinic acetylcholine receptor (mAChR) antagonist atropine, either alone or in the presence of ACh. The main findings include: (1) atropine reduced frequency similarly in controls and DNE animals, while curare caused modest slowing in controls but no consistent change in DNE animals; (2) DNE greatly attenuated the increase in C4VR frequency mediated by exogenous ACh; (3) stimulation of nAChRs with ACh in the presence of atropine increased frequency markedly in controls, but not DNE animals; (4) stimulation of mAChRs with ACh in the presence of curare caused a modest increase in frequency, with no treatment group differences. DNE blunts the response of the respiratory central pattern generator to exogenous ACh, consistent with reduced availability of functionally competent nAChRs; DNE did not alter the muscarinic control of respiratory motor output. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 76: 1138–1149, 2016
Distinct intracellular signaling mediates C‐MET regulation of dendritic growth and synaptogenesis
Authors: Eagleson Kathie L. , Lane Christianne J. , McFadyen‐Ketchum Lisa , Solak Sara , Wu Hsiao‐Huei , Levitt Pat
Published: January 2016

Hepatocyte growth factor (HGF) activation of the MET receptor tyrosine kinase influences multiple neurodevelopmental processes. Evidence from human imaging and mouse models shows that, in the forebrain, disruptions in MET signaling alter circuit formation and function. One likely means of modulation is by controlling neuron maturation. Here, we examined the signaling mechanisms through which MET exerts developmental effects in the neocortex. In situ hybridization revealed that hgf is located near MET‐expressing neurons, including deep neocortical layers and periventricular zones. Western blot analyses of neocortical crude membranes demonstrated that HGF‐induced MET autophosphorylation peaks during synaptogenesis, with a striking reduction in activation between P14 and P17 just before pruning. In vitro analysis of postnatal neocortical neurons assessed the roles of intracellular signaling following MET activation. There is rapid, HGF‐induced phosphorylation of MET, ERK1/2, and Akt that is accompanied by two major morphological changes: increases in total dendritic growth and synapse density. Selective inhibition of each signaling pathway altered only one of the two distinct events. MAPK/ERK pathway inhibition significantly reduced the HGF‐induced increase in dendritic length, but had no effect on synapse density. In contrast, inhibition of the PI3K/Akt pathway reduced HGF‐induced increases in synapse density, with no effect on dendritic length. The data reveal a key role for MET activation during the period of neocortical neuron growth and synaptogenesis, with distinct biological outcomes mediated via discrete MET‐linked intracellular signaling pathways in the same neurons. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 76: 1160–1181, 2016
Iberian red deer: paraphyletic nature at mtDNAbut nuclear markers support its genetic identity
Authors: Carranza Juan , Salinas María , de Andrés Damián , Pérez‐González Javier
Published: January 2016

Red deer populations in the Iberian glacial refugium were the main source for postglacial recolonization and subspecific radiation in north‐western Europe. However, the phylogenetic history of Iberian red deer(Cervus elaphus hispanicus)and its relationships with northern European populations remain uncertain. Here, we studyDNAsequences at the mitochondrial control region along withSTRmarkers for over 680 specimens from all the main red deer populations in Spain and other west European areas. Our results from mitochondrial and genomicDNAshow contrasting patterns, likely related to the nature of these types ofDNAmarkers and their specific processes of change over time. The results, taken together, bring support to two distinct, cryptic maternal lineages for Iberian red deer that predated the last glacial maximum and that have maintained geographically well differentiated until present. Haplotype relationships show that only one of them contributed to the northern postglacial recolonization. However, allele frequencies of nuclear markers evidenced one main differentiation between Iberian and northern European subspecies although also supported the structure of both matrilines within Iberia. Thus, our findings reveal a paraphyletic nature for Iberian red deer but also its genetic identity and differentiation with respect to northern subspecies. Finally, we suggest that maintaining the singularity of Iberian red deer requires preventing not only restocking practices with red deer specimens belonging to other European populations but also translocations between both Iberian lineages.
Hybridization in the Cetacea: widespread occurrence and associated morphological, behavioral, and ecological factors
Authors: Crossman Carla A. , Taylor Eric B. , Barrett‐Lennard Lance G.
Published: January 2016

Hybridization has been documented in a many different pairs of cetacean species both in captivity and in the wild. The widespread occurrence of hybridization indicates that postmating barriers to interbreeding are incomplete within the order Cetacea, and therefore raises questions about how species integrity is maintained in the face of interspecific (and often intergeneric) gene flow. We examined hybridization across the order Cetacea (oceanic species included: N = 78; species with 44 chromosomes included: N = 52) to test for associations between the occurrence of hybridization and similarity across 13 ecological, morphological and behavioral traits in hybridizing vs. non‐hybridizing species pairs. We found that species pairs that share a greater number of traits had a higher propensity to hybridize than pairs of species that did not. This trend was driven by behavioral and morphological traits such as vocalization frequency and body size. Together our findings suggest the importance of divergent selection on morphological and behavioral traits within sympatric species in constraining opportunities for hybridization and preventing the collapse of parental species.
Urban gardens promote bee foraging over natural habitats and plantations
Authors: Kaluza Benjamin F. , Wallace Helen , Heard Tim A. , Klein Alexandra‐Maria , Leonhardt Sara D.
Published: January 2016

Increasing human land use for agriculture and housing leads to the loss of natural habitat and to widespread declines in wild bees. Bee foraging dynamics and fitness depend on the availability of resources in the surrounding landscape, but how precisely landscape related resource differences affect bee foraging patterns remains unclear. To investigate how landscape and its interaction with season and weather drive foraging and resource intake in social bees, we experimentally compared foraging activity, the allocation of foragers to different resources (pollen, nectar, and resin) and overall resource intake in the Australian stingless bee Tetragonula carbonaria (Apidae, Meliponini). Bee colonies were monitored in different seasons over two years. We compared foraging patterns and resource intake between the bees' natural habitat (forests) and two landscapes differently altered by humans (suburban gardens and agricultural macadamia plantations). We found foraging activity as well as pollen and nectar forager numbers to be highest in suburban gardens, intermediate in forests and low in plantations. Foraging patterns further differed between seasons, but seasonal variations strongly differed between landscapes. Sugar and pollen intake was low in plantations, but contrary with our predictions, it was even higher in gardens than in forests. In contrast, resin intake was similar across landscapes. Consequently, differences in resource availability between natural and altered landscapes strongly affect foraging patterns and thus resource intake in social bees. While agricultural monocultures largely reduce foraging success, suburban gardens can increase resource intake well above rates found in natural habitats of bees, indicating that human activities can both decrease and increase the availability of resources in a landscape and thus reduce or enhance bee fitness.
Effect of telemonitoring of cardiac implantable electronic devices on healthcare utilization: a meta‐analysis of randomized controlled trials in patients with heart failure
Authors: Klersy Catherine , Boriani Giuseppe , De Silvestri Annalisa , Mairesse Georges H. , Braunschweig Frieder , Scotti Valeria , Balduini Anna , Cowie Martin R. , Leyva Francisco ,   for the Health Economics Committee of the European Heart Rhythm Association
Published: January 2016

Aims

Implantable device telemonitoring (DTM) is a diagnostic adjunct to traditional face‐to‐face hospital visits. Remote device follow‐up and earlier diagnoses facilitated by DTM should reduce healthcare utilization. We explored whether DTM reduces healthcare utilization over standard of care (SoC), without compromising patient outcomes.

Methods and results

This systematic review and meta‐analysis of 11 randomized controlled trials on DTM in patients with heart failure consisted of 5702 patients, with a median of 117 [interquartile range (IQR) 76–331] patients per study [age 65 years (IQR 63–67)] and follow‐up range of 12–36 months. DTM was associated with a reduction in total number of visits [planned, unplanned, and emergency room (ER)] [relative risk (RR) 0.56; 95% confidence interval (CI) 0.43–0.73, P < 0.001]. Rates of cardiac hospitalizations (RR 0.96; 95% CI 0.82–1.12, P = 0.60) and the composite endpoints of ER, unplanned hospital visits, or hospitalizations (RR 0.99; 95% CI 0.68–1.43, P = 0.96) was similar between the DTM and the SoC groups. An increase in the total number of ER or unscheduled visits (RR 1.37; 95% CI 1.11–1.70, P = 0.004) was observed. This effect was consistent and statistically significant for all studies. Total and cardiac mortality were similar between the groups (DTM RR 0.90; 95% CI 0.69–1.16, P = 0.41; and DTM RR 0.93; 95% CI 0.51–1.69, P = 0.80). Monetary costs favoured DTM (10–55% reduction in five studies).

Conclusions

Compared with SoC, DTM is associated with a marked reduction in planned hospital visits. In addition, DTM was associated with lower monetary costs, despite a modest increase in unplanned hospital and ER visits. DTM did not compromise survival.
The interaction of perceived control and Gambler's fallacy in risky decision making: An fMRI study
Authors: Shao Robin , Sun Delin , Lee Tatia M.C.
Published: January 2016

Limited recent evidence implicates the anterior/posterior cingulate (ACC/PCC) and lateral prefrontal networks as the neural substrates of risky decision‐making biases such as illusions of control (IoC) and gambler's fallacy (GF). However, investigation is lacking on the dynamic interactive effect of those biases during decision making. Employing a card‐guessing game that independently manipulates trial‐by‐trial perceived control and gamble outcome among 29 healthy female participants, we observed both IoC‐ and GF‐type behaviors, as well as an interactive effect of previous control and previous outcome, with GF‐type behaviors only following computer‐selected, but not self‐selected, outcomes. Imaging results implicated the ACC and left dorsolateral prefrontal cortex (DLPFC) in agency processing, and the cerebellum and right DLPFC in previous outcome processing, in accordance with past literature. Critically, the right inferior parietal lobule (IPL) exhibited significant betting‐related activities to the interaction of previous control and previous outcome, showing more positive signals to previous computer‐selected winning versus losing outcomes but the reverse pattern following self‐selected outcomes, as well as responding to the interactive effect of control and outcome during feedback. Associations were also found between participants' behavioral sensitivity to the interactive effect of previous control and previous outcome, and right IPL signals, as well as its functional connectivity with neural networks implicated in agency and previous outcome processing. We propose that the right IPL provides the neural substrate for the interaction of perceived control and GF, through coordinating activities in the anterior and posterior cingulate cortices and working conjunctively with lateral PFC and other parietal networks. Hum Brain Mapp 37:1218–1234, 2016. © 2016 Wiley Periodicals, Inc.
Runoff initiation in a preserved semiarid Caatinga small watershed, Northeastern Brazil
Authors: de Figueiredo José Vidal , de Araújo José Carlos , Medeiros Pedro Henrique Augusto , Costa Alexandre C.
Published: January 2016

This study analyses some hydrological driving forces and their interrelation with surface‐flow initiation in a semiarid Caatinga basin (12 km2), Northeastern Brazil. During the analysis period (2005 – 2014), 118 events with precipitation higher than 10 mm were monitored, providing 45 events with runoff, 25 with negligible runoff and 49 without runoff. To verify the dominant processes, 179 on‐site measurements of saturated hydraulic conductivity (Ksat) were conducted. The results showed that annual runoff coefficient lay below 0.5% and discharge at the outlet has only occurred four days per annum on average, providing an insight to the surface‐water scarcity of the Caatinga biome. The most relevant variables to explain runoff initiation were total precipitation and maximum 60‐min rainfall intensity (I60). Runoff always occurred when rainfall surpassed 31 mm, but it never occurred for rainfall below 14 mm or for I60 below 12 mm h−1. The fact that the duration of the critical intensity is similar to the basin concentration time (65 min) and that the infiltration threshold value approaches the river‐bank saturated hydraulic conductivity support the assumption that Hortonian runoff prevails. However, none of the analysed variables (total or precedent precipitation, soil moisture content, rainfall intensities or rainfall duration) has been able to explain the runoff initiation in all monitored events: the best criteria, e.g. failed to explain 27% of the events. It is possible that surface‐flow initiation in the Caatinga biome is strongly influenced by the root‐system dynamics, which changes macro‐porosity status and, therefore, initial abstraction. Copyright © 2016 John Wiley & Sons, Ltd.