bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Modular Approach to Phosphoglycosyltransferase Inhibitors Inspired by Nucleoside Antibiotics
Authors: Walvoort Marthe T. C. , Lukose Vinita , Imperiali Barbara 
Published: December 2015

AbstractPhosphoglycosyltransferases (PGTs) represent “gatekeeper” enzymes in complex glycan assembly pathways by catalyzing transfer of a phosphosugar from an activated nucleotide diphosphosugar to a membrane‐resident polyprenol phosphate. The unique structures of selected nucleoside antibiotics, such as tunicamycin and mureidomycin A, which are known to inhibit comparable biochemical transformations, are exploited as the foundation for the development of modular synthetic inhibitors of PGTs. Herein we present the design, synthesis, and biochemical evaluation of two readily manipulatable modular scaffolds as inhibitors of monotopic bacterial PGTs. Selected compounds show IC50 values down to the 40 μm range, thereby serving as lead compounds for future development of selective and effective inhibitors of diverse PGTs of biological and medicinal interest.
Sandmeyer‐Type Trifluoromethylthiolation and Trifluoromethylselenolation of (Hetero)Aromatic Amines Catalyzed by Copper
Authors: Matheis Christian , Wagner Victoria , Goossen Lukas J. 
Published: December 2015

AbstractInvited for the cover of this issue is the group of Lukas J. Goossen at the Technische Universität Kaiserslautern (Germany). The image depicts the Me4NSCF3/Me4NSeCF3 reagent—in the form of an arrow—hitting the target benzenediazonium starting material at the center of the dartboard, helped on its way by a copper catalyst. Read the full text of the article at 10.1002/chem.201503524.
Was braucht man für eine Super‐Batterie?
Authors: Bieker Peter , Winter Martin 
Published: December 2015

AbstractIn einem zweigeteilten Aufsatz berichten wir über die Grundlagen und diversen Zellchemien von Hochenergieakkumulatoren. Hier, im ersten Teil, haben wir beschrieben, welche Voraussetzungen erfüllt sein müssen, um eine wiederaufladbare Batterie mit hohen Energieinhalten pro Gewicht, also eine “Superbatterie” zu realisieren. Dabei haben wir festgestellt, dass die Hochenergie‐Zukunftstechnologien Brennstoffzelle als auch Metall‐Luft‐Zelle schon zu Anfang der Batteriegeschichte entdeckt wurden, und dass eine Superbatterie mit Elektroden auf der Basis von Li‐Metall bzw. Li‐Einlagerungsmaterialien im Moment am vielversprechendsten erscheint. Im nächsten Teil werden wir diese Li‐Batterietechnologien im Detail beschreiben, aber auch Alternativsysteme vorstellen. Allen Batteriesystemen ist gemein, dass sie einem anderen energieliefernden Reaktionsmechanismus als eine thermische Verbrennung folgen. In Hinsicht auf elektromobile Anwendungen ist ein Vergleich der Energieanhalte von Batterie und Benzinverbrennungsmotor deshalb nur bedingt fair und zielführend.
Quality of life and mood predict posttraumatic stress disorder after hematopoietic stem cell transplantation
Authors: El‐Jawahri Areej R. , Vandusen Harry B. , Traeger Lara N. , Fishbein Joel N. , Keenan Tanya , Gallagher Emily R. , Greer Joseph A. , Pirl William F. , Jackson Vicki A. , Spitzer Thomas R. , Chen Yi‐Bin A. , Temel Jennifer S. 
Published: December 2015

BACKGROUNDDuring hospitalization for hematopoietic stem cell transplantation (HCT), patients experience a steep deterioration in quality of life (QOL) and mood. To our knowledge, the impact of this deterioration on patients' QOL and posttraumatic stress disorder (PTSD) symptoms after HCT is unknown.METHODSWe conducted a prospective longitudinal study of patients hospitalized for HCT. They assessed QOL using the Functional Assessment of Cancer Therapy‐Bone Marrow Transplantation (FACT‐BMT) and depression and anxiety symptoms were assessed using the Patient Health Questionnaire‐9 (PHQ‐9) at the time of admission for HCT, during hospitalization, and 6 months after HCT. We also used the Hospital Anxiety and Depression Scale (HADS) to measure patients' anxiety and depression symptoms at baseline and during HCT hospitalization. The PTSD Checklist was used to assess for PTSD symptoms. Multivariable linear regression models were used to identify predictors of QOL and PTSD symptoms at 6 months.RESULTSWe enrolled 90 of 93 consecutively eligible patients (97%) undergoing autologous and allogeneic HCT. Data at 6 months were available for 67 participants. At 6 months, 28.4% of participants met the criteria for PTSD and 43.3% had clinically significant depression. On multivariable regression analyses adjusting for significant covariates, changes in QOL and depression scores from week 2 of HCT hospitalization to baseline predicted worse QOL (changes in scores between week 2 and baseline [Δ] QOL: β, 0.94 [P<.0001] and Δ PHQ‐9: β, −2.59 [P = 0.001]) and PTSD symptoms (Δ QOL: β, −0.40 [P<.0001] and Δ PHQ‐9: β, 1.26 [P<.0001]) at 6 months after HCT.CONCLUSIONSSix months after HCT, a significant percentage of patients met the criteria for PTSD and depression. A decline in QOL and an increase in depressive symptoms during hospitalization for HCT were found to be the most important predictors of 6‐month QOL impairment and PTSD symptoms. Therefore, managing symptoms of depression and QOL deterioration during HCT hospitalization may be critical to improving QOL at 6 months and reducing the risk of PTSD. Cancer 2016;122:806–812. © 2015 American Cancer Society.
Improving therapeutic effectiveness and safety through big healthcare data
Authors: Schneeweiss S 
Published: December 2015

Big healthcare data—electronically recorded longitudinal data generated during the provision and administration of healthcare for millions of patients—have become essential for understanding the effectiveness and safety of therapeutics. They are most effectively used in concert with experimental and laboratory research throughout the life cycle of a drug. Applications range from providing phenotype and health outcomes information in genome‐wide association studies to postmarketing studies that assure prescribers of the safety of approved drugs (Figure ).The uses of big healthcare data and their analysis throughout the life cycle of prescription drugs.image
Copolymerization as a Strategy to Combine Epoxidized Linseed Oil and Furfuryl Alcohol: The Design of a Fully Bio‐Based Thermoset
Authors: Pin Jean‐Mathieu , Guigo Nathanaël , Vincent Luc , Sbirrazzuoli Nicolas , Mija Alice 
Published: December 2015

AbstractEpoxidized linseed oil and furfuryl alcohol are bio‐sourced monomers known for their high‐potential applications in materials science. In this work, we propose the association of these monomers through copolymerization reactions with the target to design fully bio‐based thermosets. Herein, investigations on cationic polymerization reactivity have been explored using differential scanning calorimetry. The obtained structures have been confirmed by IR spectroscopy and 2 D NMR spectroscopy, which revealed the principal chain connections. In spite of the multiple capabilities of chemical connections, which include copolymerization and cross‐linking, the obtained networks are homogeneous as confirmed by dynamic mechanical analysis and SEM. Furthermore, the copolymer demonstrates a semiductile behavior if subjected to tensile measurements (tensile strain at break ≈40 %), which is a significant advance in terms of its applications as a furanic bio‐based thermoset material.
Bioinspired Electrocatalytic CO2Reduction by Bovine Serum Albumin‐Capped Silver Nanoclusters Mediated by [α‐SiW12O40]4−
Authors: Guo Si‐Xuan , MacFarlane Douglas R. , Zhang Jie 
Published: December 2015

AbstractSilver nanoclusters capped with bovine serum albumin (AgNC@BSA) were synthesized and applied for the electrocatalytic reduction of CO2. Inspired by the fact that many enzymes function only in the presence of coenzymes/cofactors that transfer electrons/protons or other groups, an electron transfer mediator was introduced to facilitate the electrical communication between the electrode and the strongly protected catalyst. The AgNC@BSA catalyst mediated by [α‐SiW12O40]4−anions showed high electrocatalytic activity for CO2reduction, which was not observed with either component on its own, in dimethylformamide containing 1 % (v/v) water. CO was the major product with excellent faradaic efficiency (>75 %). The onset potential for this catalytic CO2reduction process is about 400 mV more positive than that found at a bulk silver electrode. This mediator‐enhanced catalysis concept provides a general approach to investigate the electrocatalytic activities of nanoclusters, which remain largely unexplored.
High‐Performance Isocyanide Scavengers for Use in Low‐Waste Purification of Olefin Metathesis Products
Authors: Szczepaniak Grzegorz , Urbaniak Katarzyna , Wierzbicka Celina , Kosiński Krzysztof , Skowerski Krzysztof , Grela Karol 
Published: December 2015

AbstractInvited for this month's cover is the group of Karol Grela (University of Warsaw) in collaboration with Apeiron Synthesis (based in the Wrocław Technology Park). The researchers created a new, bidentate isocyanide scavenger that is very effective at removing ruthenium residues from the products of olefin metathesis. The Full Paper itself is available at 10.1002/cssc.201500784.
Utility of hematology analyzer and flow cytometry in timely and correct detection of circulating plasma cells: Report of three cases
Authors: Gounari Evdoxia , Tsavdaridou Vasiliki , Koletsa Triantafyllia , Nikolaidou Androula , Kaiafa Georgia , Papaioannou Maria , Kostopoulos Ioannis , Skoura Lemonia 
Published: December 2015

BackgroundCirculating neoplastic plasma cells (PCs) are a common feature between classical plasma cell myeloma (PCM) and its aggressive variant, plasma cell leukemia (PCL), with their early suspicion and detection being of clinical importance for prognostic and diagnostic purposes.MethodsMorphological and flow cytometric enumeration and characterization of peripheral blood (PB) neoplastic PCs were performed in 3 PCM patients after complete blood count (CBC) evaluation.ResultsEarly suspicion of circulating PCs by initial CBC scatter plots and monocytosis led to morphological enumeration of PCs, with low level of concordance between morphologists. Flow cytometric PB analysis permitted accurate quantification and characterization of circulating clonal PCs.ConclusionsCBC findings can prompt early suspicion of circulating PCs in PCM patients leading to early and accurate flow cytometric analysis of clonal PCs in addition to morphological PB evaluation. The suggested combined approach proved to be most important in the PCL case with discordant morphological evaluations and marginal PC numbers according to current criteria. © 2016 International Clinical Cytometry Society
Novel schemes for interference‐resilient OFDM wireless communication
Authors: Javed Imran , Loan Asim , Mahmood Waqar 
Published: December 2015

SummaryThis research work introduces some novel techniques for interference‐resilient OFDM wireless communication. Firstly, novel schemes for spatial multiplexing and interference cancelation based on signal subspace estimation are proposed. Secondly, the OFDM system is designed such that it meets three main objectives simultaneously, namely, (i) interference‐resiliency, (ii) throughput maximization, and (iii) energy consumption minimization. Interference‐cancelation techniques in prior art mostly consider maximization of throughput without any focus on energy consumption. On the other hand, the literature in energy minimization is limited to interference‐free environments. Most of the previous techniques also have a drawback that they cannot operate in smart or dynamically changing interference environments. The focus here is on interference‐resilient communication with equal attention to both throughput and energy‐efficiency maximization in dynamic hostile environments. The optimization problem is formulated, and then optimal policies and switching thresholds are found for throughput and energy‐efficient interference‐resilient communication. Methodologies for estimating the channel and jammer conditions and then adapting the transmission strategies accordingly are proposed. Moreover, to have an effective defense against smart jamming scenario, a constant‐payoff scheme is also introduced. Simulation results are compared with previous techniques that demonstrate the efficacy of proposed research. Copyright © 2015 John Wiley & Sons, Ltd.
Generation of an estrogen receptor beta‐iCre knock‐in mouse
Authors: Cacioppo Joseph A. , Koo Yongbum , Lin Po‐Ching Patrick , Osmulski Sarah A. , Ko Chunjoo D. , Ko CheMyong 
Published: December 2015

SummaryA novel knock‐in mouse that expresses codon‐improved Cre recombinase (iCre) under regulation of the estrogen receptor beta (Esr2) promoter was developed for conditional deletion of genes and for the spatial and/or temporal localization ofEsr2expression. ESR2 is one of two classical nuclear estrogen receptors and displays a spatiotemporal expression pattern and functions that are different from the other estrogen receptor, ESR1. A cassette was constructed that contained iCre, a polyadenylation sequence, and a neomycin selection marker. This construct was used to insert iCre in front of the endogenous start codon of theEsr2gene of a C57BL/6J embryonic stem cell line via homologous recombination. Resulting Esr2‐iCre mice were bred with ROSA26‐lacZ and Ai9‐RFP reporter mice to visualize cells of functional iCre expression. Strong expression was observed in the ovary, the pituitary, the interstitium of the testes, the head and tail but not body of the epididymis, skeletal muscle, the coagulation gland (anterior prostate), the lung, and the preputial gland. Additional diffuse or patchy expression was observed in the cerebrum, the hypothalamus, the heart, the adrenal gland, the colon, the bladder, and the pads of the paws. Overall, Esr2‐iCre mice will serve as a novel line for conditionally ablating genes inEsr2‐expressing tissues, identifying novelEsr2‐expressing cells, and differentiating the functions of ESR2 and ESR1. genesis 54:38–52, 2016. © 2016 Wiley Periodicals, Inc.
When can stress facilitate divergence by altering time to flowering?
Authors: Jordan Crispin Y. , Ally Dilara , Hodgins Kathryn A. 
Published: December 2015

AbstractStressors and heterogeneity are ubiquitous features of natural environments, and theory suggests that when environmental qualities alter flowering schedules through phenotypic plasticity, assortative mating can result that promotes evolutionary divergence. Therefore, it is important to determine whether common ecological stressors induce similar changes in flowering time. We review previous studies to determine whether two important stressors, water restriction and herbivory, induce consistent flowering time responses among species; for example, how often do water restriction and herbivory both delay flowering? We focus on the direction of change in flowering time, which affects the potential for divergence in heterogeneous environments. We also tested whether these stressors influenced time to flowering and nonphenology traits usingMimulus guttatus. The literature review suggests that water restriction has variable effects on flowering time, whereas herbivory delays flowering with exceptional consistency. In theMimulusexperiment, low water and herbivory advanced and delayed flowering, respectively. Overall, our results temper theoretical predictions for evolutionary divergence due to habitat‐induced changes in flowering time; in particular, we discuss how accounting for variation in the direction of change in flowering time caneither increase or decreasethe potential for divergence. In addition, we caution against adaptive interpretations of stress‐induced phenology shifts.
High‐Energy‐Density Supercapacitors Based on Patronite/Single‐Walled Carbon Nanotubes/Reduced Graphene Oxide Hybrids
Authors: Ratha Satyajit , Marri Subba R. , Behera J. N. , Rout Chandra Sekhar 
Published: December 2015

AbstractThe facile hydrothermal synthesis of a patronite VS4/single‐walled carbon nanotube/reduced graphene oxide hybrid is reported. Detailed electrochemical investigations of the hybrid revealed an exceptionally high energy density of ca. 174 W h/kg. A comparison of this value with those of other supercapacitor electrodes based on metal sulfides and also some with high energy‐density values revealed the potential of the patronite hybrid as a fitting candidate for possible application in energy‐storage devices. Charge–discharge stability measurements showed the excellent specific capacitance of the hybrid, which has a retention capability of ca. 97 % after 1000 continuous charge–discharge cycles.
The First 1,3,4‐Oxadiazole Based Dinuclear Iron(II) Complexes Showing Spin Crossover Behavior with Hysteresis
Authors: Köhler Christian , Rentschler Eva 
Published: December 2015

AbstractThree new dinuclear complexes [FeII2(μ‐L)2]X4 (L is the bis‐tridentate ligand 2,5‐bis{[(2‐pyridylmethyl)amino]methyl}‐1,3,4‐oxadiazole and X = ClO4–, BF4– and CF3SO3–) have been synthesized and fully characterized by single‐crystal X‐ray diffraction, Mössbauer spectroscopy and magnetic susceptibility measurements. Upon cooling, a trapped [high‐spin–low‐spin] state of the iron(II) centres is detected. Depending on the counterion, a pronounced thermal hysteresis is found. In one case, it was possible to observe a space group change that accompanies the spin transition. This is the first system showing spin crossover based on an oxadiazole ligand.
Greener Paal–Knorr Pyrrole Synthesis by Mechanical Activation
Authors: Akelis Liudvikas , Rousseau Jolanta , Juskenas Robertas , Dodonova Jelena , Rousseau Cyril , Menuel Stéphane , Prevost Dominique , Tumkevičius Sigitas , Monflier Eric , Hapiot Frédéric 
Published: December 2015

AbstractA straightforward and solventless synthesis of pyrroles was developed by using mechanochemical activation and a biosourced organic acid as the catalyst. Relative to traditional Paal–Knorr methodologies, various N‐substituted pyrroles were obtained in very short reaction times. By reaction with unreactive diketones, desymmetrized aliphatic and aromatic compounds were also synthesized.
Corannulenecarbaldehyde: High‐­Yielding Synthesis by Rieche Form­ylation and Facile Access to a Variety of Corannulene Derivatives
Authors: Rajeshkumar Venkatachalam , Lee Yuan Theng , Stuparu Mihaiela C. 
Published: December 2015

AbstractRieche formylation of corannulene is shown to afford corannulenecarbaldehyde on a multi‐gram scale, in a single step, with an isolated yield of 95 %, and without the need of chromatographic purification. This compound allowed facile access to a wide range of corannulene structures. The developed synthetic routes are expected to facilitate the utility of the corannulene motif – known for its unique structural and electronic properties – in the arena of macromolecular and materials chemistry.
Lissodendrins A and B: 2‐Amino­imidazole Alkaloids from the Marine Sponge Lissodendoryx (Acanthodoryx) fibrosa
Authors: Mokhlesi Amin , Hartmann Rudolf , Achten Elisabeth , Chaidir  , Hartmann Thomas , Lin Wenhan , Daletos Georgios , Proksch Peter 
Published: December 2015

AbstractChemical investigatio n of the Indonesian sponge Lissodendoryx (Acanthodoryx) fibrosa yielded the new 2‐aminoimidazole alkaloids lissodendrins A (1) and B (2). Their structures were unambiguously determined by extensive NMR spectroscopic (1H, 13C, ROESY and long‐range HMBC) studies and mass spectrometric (HRESIMS/MS) data. Lissodendrins A (1) and B (2) possess unprecedented skeletons with the latter compound bearing a (p‐hydroxyphenyl)glyoxal moiety, which is rarely encountered in natural products. A plausible biosynthetic pathway for these new metabolites is proposed.
Synthesis of Fluorine‐Containing Exoalkylidene β‐Lactams
Authors: Nasr El Dine Assaad , Grée Danielle , Roisnel Thierry , Caytan Elsa , Hachem Ali , Grée René 
Published: December 2015

AbstractThe Kinugasa reaction, applied to propargylic gem‐difluorides, allows a very direct and efficient synthesis of new exoalkylidene β‐lactams with a fluorine in the vinylic position.
Electrochemical Detection of Lead Ion Based on a Peptide Modified Electrode
Authors: Lin Meng , Cho MiSuk , Choe Woo‐Seok , Lee Youngkwan 
Published: December 2015

AbstractA novel biosensor harnessing a peptide layer which has specific affinity to lead ion proved to be highly effective for electrochemical analysis of lead ions. The peptide modified electrode was used for the electrochemical analysis of various trace metal ions by square wave voltammetry. Compared to the other ions investigated, the peptide modified electrode was found to be highly selective to Pb2+ in the range of 50–700 nM. Furthermore, the biosensor exhibited a high reusability and good spike recovery in the tap water containing various concentration of Pb2+.
Examination and Optimization of a Heating Circuit for Energy‐Efficient Buildings
Authors: Pöttgen Philipp , Ederer Thorsten , Altherr Lena , Lorenz Ulf , Pelz Peter F. 
Published: December 2015

AbstractThe conference center darmstadtium in Darmstadt is a prominent example of energy efficient buildings. Its heating system consists of different source and consumer circuits connected by a Zortström reservoir. Our goal was to reduce the energy costs of the system as much as possible. Therefore, we analyzed its supply circuits. The first step towards optimization is a complete examination of the system: 1) Compilation of an object list for the system, 2) collection of the characteristic curves of the components, and 3) measurement of the load profiles of the heat and volume‐flow demand. Instead of modifying the system manually and testing the solution by simulation, the second step was the creation of a global optimization program. The objective was to minimize the total energy costs for one year. We compare two different topologies and show opportunities for significant savings.
Numerical and experimental study of the performance of a single‐sided vibro‐impact track nonlinear energy sink
Authors: Wang Jingjing , Wierschem Nicholas , Spencer Billie F. , Lu Xilin 
Published: December 2015

SummaryThis paper proposes a single‐sided vibro‐impact track nonlinear energy sink (SSVI track NES) as an effective way to mitigate the effects of impulsive and seismic excitation on building structures. The SSVI track NES is a passive energy dissipation device, which consists of a mass moving along a track, the shape of which provides a nonlinear restoring force to the mass. Previous studies have analyzed the track NES, which considers the track shape to be smooth and symmetric. By introducing a discontinuity into the shape of the track (e.g., through impact), energy in the primary structure can be scattered to higher frequency responses where it can be dissipated at a faster rate. First, the SSVI track NES is analytically investigated and numerically optimized base on a two degree‐of‐freedom primary structure. The results of numerical simulations show that the SSVI track NES can be more efficient than both the track NES and tuned mass damper in reducing the response of the primary structure. Based on the analytical studies, the SSVI track NES is experimentally realized and investigated when subjected to both impulse‐like and seismic excitations, confirming the numerical predictions and validating the analytical model of the device. Finally, the robustness of the SSVI track NES is investigated numerically. The results of this investigation indicate that the SSVI track NES remains effective over a broad range of input excitation energy levels, as well as during significant changes in the stiffness of the primary structure. Copyright © 2015 John Wiley & Sons, Ltd.