bluuebunny/crossref_metadata_2025_split huggingface dataset:
Directed Evolution of Scanning Unnatural‐Protease‐Resistant (SUPR) Peptides for in Vivo Applications
Authors: Fiacco Stephen V. , Kelderhouse Lindsay E. , Hardy Amanda , Peleg Yonatan , Hu Biliang , Ornelas Argentina , Yang Peiying , Gammon Seth T. , Howell Shannon M. , Wang Pin , Takahashi Terry T. , Millward Steven W. , Roberts Richard W. 
Published: July 2016

AbstractPeptides typically have poor biostabilities, and natural sequences cannot easily be converted into drug‐like molecules without extensive medicinal chemistry. We have adapted mRNA display to drive the evolution of highly stable cyclic peptides while preserving target affinity. To do this, we incorporated an unnatural amino acid in an mRNA display library that was subjected to proteolysis prior to selection for function. The resulting “SUPR (scanning unnatural protease resistant) peptide” showed ≈500‐fold improvement in serum stability (t
=160 h) and up to 3700‐fold improvement in protease resistance versus the parent sequence. We extended this approach by carrying out SUPR peptide selections against Her2‐positive cells in culture. The resulting SUPR4 peptide showed low‐nanomolar affinity toward Her2, excellent specificity, and selective tumor uptake in vivo. These results argue that this is a general method to design potent and stable peptides for in vivo imaging and therapy.
Effect of Methyl, Hydroxyl, and Chloro Substituents in Position 3 of 3′,4′,7‐Trihydroxyflavylium: Stability, Kinetics, and Thermodynamics
Authors: Alejo‐Armijo Alfonso , Salido Sofía , Altarejos Joaquín , Parola A. Jorge , Gago Sandra , Basílio Nuno , Cabrita Luis , Pina Fernando 
Published: July 2016

AbstractThe effect of methyl, hydroxyl, and chloride substituents in position 3 of the 3′,4′,7‐trihydroxyflavylium core structure was studied. The stability, relative energy of each of chemical species (thermodynamics), and their rates of interconversion (kinetics) are very dependent on these substituents. By comparing the mole fraction distribution at equilibrium of the three multistate systems with the parent 3′,4′,7‐trihydroxyflavylium, introduction of a methyl substituent in position 3 increases the mole fraction of hemiketal at the expense of the trans‐chalcone and increases the hydration rate very significantly; a hydroxyl substituent in position 3 gives rise to a degradation process, as observed in anthocyanidins. In the case of 3‐chloro‐3′,4′,7‐trihydroxyflavylium, a dramatic increase of the flavylium cation acidity was observed and a photochromic system can be operated upon irradiation of the respective trans‐chalcone in 1 m HCl. According to the photochromic response of 3,3′,4′,7‐tetrahydroxyflavylium and 3′,4′,7‐trihydroxyflavylium, some requirements for a good photochromic performance are discussed.
Slow Relaxation of Magnetization in an Isostructural Series of Zinc–Lanthanide Complexes: An Integrated EPR and AC Susceptibility Study
Authors: Amjad Asma , Madalan Augustin M. , Andruh Marius , Caneschi Andrea , Sorace Lorenzo 
Published: July 2016

AbstractWe report the synthesis, structure, and spectroscopic and dynamic magnetic properties of a series of heterodinuclear complexes, [ZnLn(LH4)2](NO3)3⋅6 H2O (Ln=Nd, Tb, Dy, Ho, Er, and Yb), with the singly deprotonated form of a new compartmentalized Schiff‐base ligand, LH5. The LnIII ions in these systems show a distorted square‐antiprism geometry with an LnO8 coordination sphere. EPR spectroscopy and DC magnetic studies have shown that the anisotropic nature of the complexes is far more complicated than predicted on the basis of a simple electrostatic model. Among the investigated systems, only the DyIII derivative showed single‐ion magnet behavior, in zero and an applied magnetic field, both in pure polycrystalline samples and in a series of polycrystalline samples with different degrees of dilution at the single‐crystal level in the isostructural YIII derivative. The rich dynamics observed as functions of frequency, field, and temperature reveals that multiple relaxation mechanisms are at play, resulting in a barrier of 189 cm−1, which is among the highest reported for a dinuclear Zn–Dy system. Analysis of the dynamic behavior as a function of dilution degree further evidenced the persistence of non‐negligible intermolecular interactions, even at the lowest concentration of 1 %.
Communication between Discrete Nanostructures Triggered by Fine Tuning of an External Stimulus
Authors: Schilirò Matteo , Contino Annalinda , Millesi Salvatrice , Maccarrone Giuseppe , Gulino Antonino 
Published: July 2016

AbstractInvited for the cover of this issue is the group of Antonino Gulino at the University of Catania and I.N.S.T.M. UdR of Catania. The image depicts two discrete surface‐confined nanostructures that exchange mass from one to another. Read the full text of the article at 10.1002/chem.201602262.
The Tetracyanopyridinide Dimer Dianion, σ‐[TCNPy]22−
Authors: Hao Jingjun , Rheingold Arnold L. , Kavand Marzieh , van Schooten Kipp J. , Boehme Christoph , Capdevila‐Cortada Marçal , Novoa Juan J. , Wöss Eva , Knör Günther , Miller Joel S. 
Published: July 2016

AbstractThe reaction of 2,3,5,6‐tetracyanopyridine (TCNPy) and Cr(C6H6)2 forms diamagnetic σ‐[TCNPy]22− possessing a 1.572(3) Å intrafragment sp3–sp3 bond. This is in contrast to the structurally related 1,2,4,5‐tetracyanobenzene and 1,2,4,5‐tetracyanopyrazine that form π‐dimer dianions possessing long, multicenter bonds.
Race and Sex Differences in Management and Outcomes of Patients After ST‐Elevation and Non–ST‐Elevation Myocardial Infarct: Results From the NCDR
Authors: Anstey D.E. , Li Shuang , Thomas Laine , Wang Tracy Y. , Wiviott Stephen D. 
Published: July 2016

ABSTRACTBackgroundRace and sex have been shown to affect management of myocardial infarction (MI); however, it is unclear if such disparities exist in contemporary care of ST‐segment elevation myocardial infarction (STEMI) and non‐ST‐segment elevation myocardial infarction (NSTEMI).HypothesisDisparities in care will be less prevalent in more heavily protocol‐driven management of STEMI than the less algorithmic care of NSTEMI.MethodsData were collected from the ACTION Registry‐GWTG database to assess care differences related to race and sex of patients presenting with NSTEMI or STEMI. For key treatments and outcomes, adjustments were made including patient demographics, baseline comorbidities, and markers of socioeconomic status.ResultsKey demographic variables demonstrate significant differences in baseline comorbidities; black patients had higher incidences of hypertension and diabetes, and women more frequently had diabetes. With few exceptions, rates of acute and discharge medical therapy were similar by race in any sex category in both STEMI and NSTEMI populations. Rates of catheterization were similar by race for STEMI but not for NSTEMI, where both black men and women had lower rates of invasive therapy. Rates of revascularization were significantly lower for black patients in both the STEMI and NSTEMI groups regardless of sex. Rates of adverse events differed by sex, with disparities for death and major bleeding; after adjustment, rates were similar by race within sex comparisons.ConclusionsIn this contemporary cohort, although there are differences by race in presentation and management of MI, heavily protocol‐driven processes seem to show fewer racial disparities.
Virtual Screening of Small Drug‐Like Compounds Stimulating the Enzymatic Activity of Kallikrein‐Related Peptidase 3 (KLK3)
Authors: Ylikangas Henna , Mattsson Johanna M. , Stenman Ulf‐Håkan , Koistinen Hannu , Poso Antti , Lahtela‐Kakkonen Maija 
Published: July 2016

AbstractKallikrein‐related peptidase 3 (KLK3) is a prostatic serine protease shown to possess antiangiogenic properties which are exerted via its proteolytic activity. The antiangiogenic effect indicates that KLK3 may slow down the growth of prostate cancer; this makes it an interesting target for new therapies for prostate cancer. In this work, new drug‐like compounds were discovered that stimulate the proteolytic activity of KLK3. The compounds were identified using 2D similarity search and 3D pharmacophore‐based virtual screening, and their ability to stimulate KLK3 was verified by enzymatic activity assays. The effect of the molecules alone was modest, but in synergy with a cyclic peptide the most potent molecule was found to stimulate KLK3 activity significantly: up to 351 % of the activity of KLK3. This demonstrates that small drug‐like compounds can be beneficial tools in studying the antiangiogenic properties of KLK3.
BODIPY‐Appended 2‐(2‐Pyridyl)benzimidazole Platinum(II) Catecholates for Mitochondria‐Targeted Photocytotoxicity
Authors: Mitra Koushambi , Gautam Srishti , Kondaiah Paturu , Chakravarty Akhil R. 
Published: July 2016

AbstractPlatinum(II) complexes of the type [Pt(L)(cat)] (1 and 2), in which H2cat is catechol and L represents two 2‐(2‐pyridyl)benzimidazole ligands with 4,4‐difluoro‐4‐bora‐3a,4a‐diaza‐s‐indacene (BODIPY) pendants, were synthesized to achieve mitochondria‐targeted photocytotoxicity. The complexes showed strong absorptions in the range λ=510–540 nm. Complex 1 exhibited intense emission at λ=525 nm in 1 % DMSO/water solution (fluorescence quantum yield of 0.06). Nanosecond transient absorption spectral features indicated an enhanced population of the triplet excited state in di‐iodinated complex 2. The generation of singlet oxygen by complex 2 upon exposure to visible light, as evidenced from experiments with 1,3‐diphenylisobenzofuran, is suitable for photodynamic therapy because of the remarkable photosensitizing ability. The complexes resulted in excellent photocytotoxicity in HaCaT cells (half maximal inhibitory concentration IC50≈3 μm, λ=400–700 nm, light dose=10 J cm−2), but they remained non‐toxic in the dark (IC50>100 μm). Confocal microscopy images of 1 and Pt estimation from isolated mitochondria showed colocalization of the complexes in the mitochondria. Complex 2 displayed generation of reactive oxygen species induced by visible light, disruption of the mitochondrial membrane potential, and apoptosis.
Macroinvertebrate responses to flow and stream temperature variability across regulated and non‐regulated rivers
Authors: White James C. , Hannah David M. , House Andy , Beatson Shawn J. V. , Martin Alexander , Wood Paul J. 
Published: July 2016

AbstractFlow regulation via impoundments threatens lotic ecosystems and the services they provide globally. Impoundments drastically alter flow and stream temperature variability within fluvial environments, but efforts to quantify ecohydrological and ecothermal responses to flow regulation in conjunction have been sparsely explored to date. This study examined macroinvertebrate community responses to antecedent flow (discharge) and stream temperature variability across paired regulated and non‐regulated systems associated with three reservoirs located in adjacent catchments. Community abundances, functional traits, and biomonitoring indices were examined, and ecological differences between non‐regulated and regulated sites were quantified, with the most sensitive faunal response being correlated against a suite of flow and thermal indices. Regulated sites exhibited reduced low‐flow variability and rapid increases in discharge during peak flows that regularly exceeded those conveyed by non‐regulated sites, while stream temperature variability was highly congruent between sites. Macroinvertebrate functional traits were particularly sensitive to flow regulation, and incorporating biomonitoring indices marginally improved the ecological discrimination between regulated and non‐regulated sites. Unlike community abundances, functional traits did not vary spatially between catchments, highlighting that such information could guide the implementation of regional environmental flows. Macroinvertebrate communities responded significantly to various hydrological parameters, particularly those associated with the timing of extreme flows, but were less sensitive to thermal controls. Future research should explore ecological responses to antecedent hydrological and stream temperature variability associated with flow regulation to provide a better understanding of the underlying mechanisms driving biotic alterations, which could guide future environmental flow methodologies.
Foliar bacteria and soil fertility mediate seedling performance: a new and cryptic dimension of niche differentiation
Authors: Griffin Eric A. , Traw M. Brian , Morin Peter J. , Pruitt Jonathan N. , Wright S. Joseph , Carson Walter P. 
Published: July 2016

AbstractThe phyllosphere (comprising the leaf surface and interior) is one of the world's largest microbial habitats and is host to an abundant and diverse array of bacteria. Nonetheless, the degree to which bacterial communities are benign, harmful, or beneficial to plants in situ is unknown. We tested the hypothesis that the net effect of reducing bacterial abundance and diversity would vary substantially among host species (from harmful to beneficial) and this would be strongly mediated by soil resource availability. To test this, we monitored tree seedling growth responses to commercial antibiotics among replicated resource supply treatments (N, P, K) in a tropical forest in Panama for 29 months. We applied either antibiotics or control water to replicated seedlings of five common tree species (Alseis blackiana, Desmopsis panamensis, Heisteria concinna, Sorocea affinis, and Tetragastris panamensis). These antibiotic treatments significantly reduced both the abundance and diversity of bacteria epiphytically as well as endophytically. Overall, the effect of antibiotics on performance was highly host specific. Applying antibiotics increased growth for three species by as much as 49% (Alseis, Heisteria, and Tetragastris), decreased growth for a fourth species by nearly 20% (Sorocea), and had no impact on a fifth species (Desmopsis). Perhaps more importantly, the degree to which foliar bacteria were harmful or not varied with soil resource supply. Specifically, applying antibiotics had no effect when potassium was added but increased growth rate by almost 40% in the absence of potassium. Alternatively, phosphorus enrichment caused the effect of bacteria to switch from being primarily beneficial to harmful or vice versa, but this depended entirely on the presence or absence of nitrogen enrichment (i.e., important and significant interactions). Our results are the first to demonstrate that the net effect of reducing the abundance and diversity of bacteria can have very strong positive and negative effects on seedling performance. Moreover, these effects were clearly mediated by soil resource availability. Though speculative, we suggest that foliar bacteria may interact with soil fertility to comprise an important, yet cryptic dimension of niche differentiation, which can have important implications for species coexistence.
Trophic interactions may reverse the demographic consequences of inbreeding
Authors: Bompard Anaïs , Amat Isabelle , Fauvergue Xavier , Spataro Thierry 
Published: July 2016

AbstractExtinctions have no simple determinism, but rather result from complex interplays between environmental factors and demographic‐genetic feedback that occur at small population size. Inbreeding depression has been assumed to be a major trigger of extinction vortices, yet very few models have studied its consequences in dynamic populations with realistic population structure. Here we investigate the impact of Complementary Sex Determination (CSD) on extinction in parasitoid wasps and other insects of the order Hymenoptera. CSD is believed to induce enough inbreeding depression to doom simple small populations to extinction, but we suggest that in parasitoids CSD may have the opposite effect. Using a theoretical model combining the genetics of CSD and the population dynamics of host‐parasitoid systems, we show that CSD can reduce the risk of parasitoid extinction by reducing fluctuations in population size. Our result suggests that inbreeding depression is not always a threat to population survival, and that considering trophic interactions may reverse some pervasive hypotheses on its demographic impact.
Development of a new Electrochemical Impedance Spectroscopy Approach for Monitoring the Solid Electrolyte Interphase Formation
Authors: Heins Tom P. , Harms Nina , Schramm Linda‐Susann , Schröder Uwe 
Published: July 2016

AbstractThe formation of surface films on lithium ion electrodes is a crucial factor for the performance and durability of the respective battery. Especially the formation of the solid electrolyte interphase (SEI) on the anodes of these cells widely determines the stability and functionality of the electrode. Therefore, a precise insight into the formation process of this layer is required. Based on temperature‐dependent electrochemical impedance spectroscopy a new approach to monitor the formation of the SEI was developed. This way the kinetics of the interphase could be described using its activation energy. Comparison of these values with the respective resistances regarding the charge turnover during the initial charging of the cell provided additional information about the course of the SEI formation. It could be shown that these findings are in good agreement with the descriptions of the mechanism of the SEI formation provided by the literature.
Impairment of a parieto‐premotor network specialized for handwriting in writer's cramp
Authors: Gallea Cecile , Horovitz Silvina G. , 'Ali Najee‐Ullah Muslimah , Hallett Mark 
Published: July 2016

AbstractHandwriting with the dominant hand is a highly skilled task singularly acquired in humans. This skill is the isolated deficit in patients with writer's cramp (WC), a form of dystonia with maladaptive plasticity, acquired through intensive and repetitive motor practice. When a skill is highly trained, a motor program is created in the brain to execute the same movement kinematics regardless of the effector used for the task. The task‐ and effector‐specific symptoms in WC suggest that a problem particularly occurs in the brain when the writing motor program is carried out by the dominant hand. In this MRI study involving 12 WC patients (with symptoms only affecting the right dominant hand during writing) and 15 age matched unaffected controls we showed that: (1) the writing program recruited the same network regardless of the effector used to write in both groups; (2) dominant handwriting recruited a segregated parieto‐premotor network only in the control group; (3) local structural alteration of the premotor area, the motor component of this network, predicted functional connectivity deficits during dominant handwriting and symptom duration in the patient group. Dysfunctions and structural abnormalities of a segregated parieto‐premotor network in WC patients suggest that network specialization in focal brain areas is crucial for well‐learned motor skill.Hum Brain Mapp 37:4363–4375, 2016. ©2016 Wiley Periodicals, Inc.
Deubiquitinases as Anticancer Targets of Gold Complexes
Authors: Zou Taotao , Zhang Jing‐Jing , Cao Bei , Tong Ka‐Chung , Lok Chun‐Nam , Che Chi‐Ming 
Published: July 2016

AbstractMetal‐based anticancer agents with non‐DNA targets are anticipated for overcoming cisplatin resistance problems. Gold complexes are generally known to undergo ligand exchange or redox reactions with thiols, and hence, are potentially useful agents that could target thiol‐containing enzymes, but not DNA. Recent studies have shown that deubiquitinases (DUBs), key enzymes regulating proteasome‐related protein homeostasis, are potential anticancer targets of both gold(I) and gold(III) complexes. In this review, the current status of gold complexes as DUB inhibitors is discussed. In particular, auranofin and cyclometalated gold(III) complexes containing dithiocarbamate ligands (e.g., [(AuIII(C N)(DEDT)]+, HC N=2‐phenylpyridine, DEDT=diethyldithiocarbamate) are highlighted as examples of DUB inhibitors. The mechanisms of their anticancer action, together with in vitro and/or in vivo antitumor potencies, are also explored.
Unusual way of feeding by the deutonymph of Neottialges evansi (Actinotrichida, Astigmata, Hypoderatidae), a subcutaneous parasite of cormorants, revealed by fine structural analyses
Authors: Alberti Gerd , Kanarek Gerard , Dabert Jacek 
Published: July 2016

ABSTRACTThe parasitic deutonymphs of hypoderatid mites live within the subcutaneous layer of their avian hosts, where they become greatly engorged despite not having functional mouthparts. The method by which they take up nutrients has been mysterious up to now. Here, we report on the morphology of hypoderatid deutonymphs using scanning and transmission electron microscopy and describe structures that may resolve the mystery. The deutonymph of Neottialges evansi (Hypoderatidae) from the cormorant Phalacrocorax carbo is a simply organized stage lacking both mouthparts and a functional foregut. The structure of midgut and hindgut indicate that they are not capable of processing food. The midgut consists of highly branching flat cells and rarely shows a lumen. Almost the entire space between integument, gut remnants and other organs (synganglion, developing gonads) is filled by huge cells containing protein and glycogen granules and numerous lipid inclusions. The anal opening is minute. The structure of the cuticle and epidermis suggests that nutrients are not absorbed through the general integument. Thus the two main existing hypotheses about feeding modes in hypoderatid deutonymphs, anal vs. integumentary food absorbtion, are not supported. We suggest instead that two pairs of genital papillae showing peculiar microanatomical features are actively involved in movement of liquid materials between host and mite and most probably are the nutrient‐intake organs. J. Morphol. 277:1368–1389, 2016. © 2016 Wiley Periodicals, Inc.
Comparison of physicochemical and functional properties of duck feet and bovine gelatins
Authors: Kuan Yau‐Hoong , Nafchi Abdorreza Mohammadi , Huda Nurul , Ariffin Fazilah , Karim Alias A 
Published: July 2016

AbstractBACKGROUNDPrevious studies have indicated that duck feet are a rich source of gelatin extractable from avian sources. In this study, the physicochemical and functional properties of avian gelatin extracted from duck feet (DFG) with acetic acid were compared with those of commercial bovine gelatin (BG).RESULTSThe yield of DFG obtained in this study was 7.01 ± 0.31%. High‐performance liquid chromatography analysis indicated that the imino acid content was slightly lower for DFG compared with BG (P < 0.05). Differences in molecular size and amino acids between DFG and BG were also observed. The isoelectric points of DFG and BG were at pH 8 and 5 respectively, and the overall protein solubility of BG was higher than that of DFG. Gels prepared from BG exhibited higher bloom strength, viscosity and clarity and were darker in colour compared with DFG gels (P < 0.05). The gelling and melting points of BG were 21.8 and 29.47 °C respectively, while those of DFG were 20.5 and 27.8 °C respectively. BG exhibited slightly better emulsifying and foaming properties compared with DFG.CONCLUSIONAlthough some differences between DFG and BG were observed, the disparities were small, which indicates that DFG could be exploited commercially as an alternative source of gelatin. © 2016 Society of Chemical Industry
Desktop NMR Spectroscopy for Quality Control of Raw Rubber
Authors: Singh Kawarpal , Blümich Bernhard 
Published: July 2016

SummaryOnly in very recent times, desktop NMR spectrometers have become available as tools for research and education. We have investigated in how far1H and13C NMR spectra acquired at 1 T with a compact NMR spectrometer are suitable for quality control of solutions from raw rubber in the rubber manufacturing industry. NMR spectra of samples drawn from oil‐extended styrene‐butadiene rubber (SBR), solution polymerized SBR, emulsion polymerized SBR, and SBR from different lots and the same lots are reported. Differences are observed not only between SBR samples polymerized in different ways but also between the same type of SBR from the same and from different lots from the same manufacturer.