bluuebunny/crossref_metadata_2025_split huggingface dataset:
Total Chemical Synthesis of an Intra‐A‐Chain Cystathionine Human Insulin Analogue with Enhanced Thermal Stability
Authors: Karas John A. , Patil Nitin A. , Tailhades Julien , Sani Marc‐Antoine , Scanlon Denis B. , Forbes Briony E. , Gardiner James , Separovic Frances , Wade John D. , Hossain Mohammed Akhter 
Published: October 2016

AbstractDespite recent advances in the treatment of diabetes mellitus, storage of insulin formulations at 4 °C is still necessary to minimize chemical degradation. This is problematic in tropical regions where reliable refrigeration is not ubiquitous. Some degradation byproducts are caused by disulfide shuffling of cystine that leads to covalently bonded oligomers. Consequently we examined the utility of the non‐reducible cystine isostere, cystathionine, within the A‐chain. Reported herein is an efficient method for forming this mimic using simple monomeric building blocks. The intra‐A‐chain cystathionine insulin analogue was obtained in good overall yield, chemically characterized and demonstrated to possess native binding affinity for the insulin receptor isoform B. It was also shown to possess significantly enhanced thermal stability indicating potential application to next‐generation insulin analogues.
Delivering Structural Information on the Polar Face of Membrane‐Active Peptides: 19F‐NMR Labels with a Cationic Side Chain
Authors: Michurin Oleg M. , Afonin Sergii , Berditsch Marina , Daniliuc Constantin G. , Ulrich Anne S. , Komarov Igor V. , Radchenko Dmytro S. 
Published: October 2016

AbstractConformationally constrained non‐racemizing trifluoromethyl‐substituted lysine isosteres [(E)‐ and (Z)‐TCBLys] with charged side chains are presented as a new type of 19F‐NMR labels for peptide studies. Design of the labels, their synthesis, incorporation into peptides and experimental demonstration of their application for solid state NMR studies of membrane‐active peptides are described. A series of fluorine‐labeled analogues of the helical amphipathic antimicrobial peptide PGLa(Nle) was obtained, in which different lysine residues in the original peptide sequence were replaced, one at a time, by either (E)‐ or (Z)‐TCBLys. Antimicrobial activities of the synthesized analogues were practically the same as those of the parent peptide. The structural and orientational parameters of the helical PGLa(Nle) peptide in model bilayers, as determined using the novel labels confirmed and refined the previously known structure. (E)‐ and (Z)‐TCBLys, as a set of cationic 19F‐NMR labels, were shown to deliver structural information about the charged face of amphipathic peptides by solid state 19F‐NMR, previously inaccessible by this method.
A Responsive Battery with Controlled Energy Release
Authors: Wang Xiaopeng , Gao Jian , Cheng Zhihua , Chen Nan , Qu Liangti 
Published: October 2016

AbstractA new type of responsive battery with the fascinating feature of pressure perceptibility has been developed, which can spontaneously, timely and reliably control the power outputs (e.g., current and voltage) in response to pressure changes. The device design is based on the structure of the Zn–air battery, in which graphene‐coated sponge serves as pressure‐sensitive air cathode that endows the whole system with the capability of self‐controlled energy release. The responsive batteries exhibit superior battery performance with high open‐circuit voltage (1.3 V), and competitive areal capacity of 1.25 mAh cm−2. This work presents an important move towards next‐generation intelligent energy storage devices with energy management function.
Donor‐Stabilized 1,3‐Disila‐2,4‐diazacyclobutadiene with a Nonbonded Si⋅⋅⋅Si Distance Compressed to a Si=Si Double Bond Length
Authors: Gau David , Nougué Raphael , Saffon‐Merceron Nathalie , Baceiredo Antoine , De Cózar Abel , Cossío Fernando P. , Hashizume Daisuke , Kato Tsuyoshi 
Published: October 2016

AbstractA donor‐stabilized 1,3‐disila‐2,4‐diazacyclobutadiene presents an exceptionally short nonbonded Si⋅⋅⋅Si distance (2.23 Å), which is as short as that of Si=Si bonds (2.15–2.23 Å). Theoretical investigations indicate that there is no bond between the two silicon atoms, and that the unusual geometry can be related to a significant coulomb repulsion between the two ring nitrogen atoms. This chemical pressure phenomenon could provide an alternative and superior way of squeezing out van der Waals space in highly strained structures, as compared to the classical physical methods.
Cathepsin B‐Specific Metabolic Precursor for In Vivo Tumor‐Specific Fluorescence Imaging
Authors: Shim Man Kyu , Yoon Hong Yeol , Ryu Ju Hee , Koo Heebeom , Lee Sangmin , Park Jae Hyung , Kim Jong‐Ho , Lee Seulki , Pomper Martin G. , Kwon Ick Chan , Kim Kwangmeyung 
Published: October 2016

AbstractRecently, metabolic glycoengineering with bioorthogonal click reactions has focused on improving the tumor targeting efficiency of nanoparticles as delivery vehicles for anticancer drugs or imaging agents. It is the key technique for developing tumor‐specific metabolic precursors that can generate unnatural glycans on the tumor‐cell surface. A cathepsin B‐specific cleavable substrate (KGRR) conjugated with triacetylated N‐azidoacetyl‐d‐mannosamine (RR‐S‐Ac3ManNAz) was developed to enable tumor cells to generate unnatural glycans that contain azide groups. The generation of azide groups on the tumor cell surface was exogenously and specifically controlled by the amount of RR‐S‐Ac3ManNAz that was fed to target tumor cells. Moreover, unnatural glycans on the tumor cell surface were conjugated with near infrared fluorescence (NIRF) dye‐labeled molecules by a bioorthogonal click reaction in cell cultures and in tumor‐bearing mice. Therefore, our RR‐S‐Ac3ManNAz is promising for research in tumor‐specific imaging or drug delivery.
Mild and efficient Pd(PtBu3)2‐catalyzed aminocarbonylation of aryl halides to aryl amides with high selectivity
Authors: Lei Yizhu , Xiao Se , Li Guangxing , Gu Yanlong , Wu Hanfu , Shi Kaiyi 
Published: October 2016

This work describes a mild and efficient approach for the synthesis of aryl amides via catalytic aminocarbonylation of aryl halides with alicyclic amines using a Pd(PtBu3)2/NH4Cl catalyst system. Under mild reaction temperature of 60°C and balloon pressure of CO, 5 mol% Pd(PtBu3)2 with a cheap NH4Cl promoter is sufficient for high yields of aryl amides. The influence of reaction parameters such as reaction temperature, ligand type and promoter on catalytic activity was investigated. This work also discusses the catalytic intermediates in detail, and provides a plausible mechanism based on an acid chloride intermediate.
Application of a novel organic nucleating agent: Cucurbit[6]uril to improve polypropylene injection foaming behavior and their physical properties
Authors: Zhou Yuhui , Gong Wei , He Li 
Published: October 2016

ABSTRACTIn this study, polypropylene (PP) foams were prepared with cucurbit[6]uril (Q[6]) used as a novel nucleating agent through a microcellular injection molding foaming process. The effect of Q[6] content (0.5–2.0 wt %) on the foaming behavior, as well as thermal, rheological and mechanical characterizations of the PP/Q[6] (PQ) samples were performed. According to scanning electron microscopy (SEM) images, the microstructure of foams exhibited a smaller cell size, higher cell density, and more homogeneous distribution of cells at a higher Q[6] content. It was found that the peak temperature of crystallization, the crystallinity and the crystallization rate of PP can be obviously improved by adding a low content of Q[6] (0.25–1.0 wt %), whereas further increasing the content of Q[6] (2.0 wt %) would disfavor the effect. With increasing the Q[6] concentration, the PQ composites had higher complex viscosities at low frequencies and higher modulus than that of PP except the content of 2.0 wt %. Furthermore, the introduction of Q[6] into PP can produce a mild increase in tensile strength, flexural strength and impact strength of PQ foams. This can be due to the well dispersion of Q[6], good compatibility between PP and Q[6], as well as the improvement of the cell morphology. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44538.
Modification of the Highway Capacity Manual two‐lane highway analysis procedure for Spanish conditions
Authors: Moreno Ana T. , Llorca Carlos , Washburn Scott S. , Bessa José E. , Hale David K. , Garcia Alfredo 
Published: October 2016

SummaryThe US Highway Capacity Manual (HCM) methodology is used in Spain to evaluate traffic operation and quality of service. The effect of passing manoeuvre on two‐lane highway operational performance is considered through adjustment factors to average travel speeds and percent time spent following. The procedure is largely based on simulations in TWOPAS and passing behaviours observed during US calibrations in the 1970s. It is not clear whether US driving behaviour and vehicles' performance are comparable with Spanish conditions. The objective of this research is to adapt the HCM 2010 methodology to Spanish driver behaviour, for base conditions (i.e. no passing restrictions). To do so, TWOPAS was calibrated and validated based on current Spanish passing field data. The calibration used a genetic algorithm. The case study included an ideal two‐lane highway with varying directional traffic flow rate, directional split and percentage of trucks. The updated methodology for base conditions is simpler than the current HCM 2010 and does not rely on interpolation from tables. Copyright © 2016 John Wiley & Sons, Ltd.
Estimating link travel time functions for heterogeneous traffic flows on freeways
Authors: Lu Zhaoyang , Meng Qiang , Gomes Gabriel 
Published: October 2016

SummaryOversized vehicles, such as trucks, significantly contribute to traffic delays on freeways. Heterogeneous traffic populations, that is, those consisting of multiple vehicles types, can exhibit more complicated travel behaviors in the operating speed and performance, depending on the traffic volume as well as the proportions of vehicle types. In order to estimate the component travel time functions for heterogeneous traffic flows on a freeway, this study develops a microscopic traffic‐simulation based four‐step method. A piecewise continuous function is proposed for each vehicle type and its parameters are estimated using the traffic data generated by a microscopic traffic simulation model. The illustrated experiments based on VISSIM model indicate that (i) in addition to traffic volume, traffic composition has significant influence on the travel time of vehicles and (ii) the respective estimations for travel time of heterogeneous flows could greatly improve their estimation accuracy. Copyright © 2016 John Wiley & Sons, Ltd.
Methods for suspension culture, protoplast extraction, and transformation of high‐biomass yielding perennial grass Arundo donax
Authors: Pigna Gaia , Dhillon Taniya , Dlugosz Elizabeth M. , Yuan Joshua S. , Gorman Connor , Morandini Piero , Lenaghan Scott C. , Stewart C. Neal 
Published: October 2016

AbstractArundo donax L. is a promising biofuel feedstock in the Mediterranean region. Despite considerable interest in its genetic improvement, Arundo tissue culture and transformation remains arduous. The authors developed methodologies for cell‐ and tissue culture and genetic engineering in Arundo. A media screen was conducted, and a suspension culture was established using callus induced from stem axillary bud explants. DBAP medium, containing 9 µM 2,4‐D and 4.4 µM BAP, was found to be the most effective medium among those tested for inducing cell suspension cultures, which resulted in a five‐fold increase in tissue mass over 14 days. In contrast, CIM medium containing 13 µM 2,4‐D, resulted in just a 1.4‐fold increase in mass over the same period. Optimized suspension cultures were superior to previously‐described solidified medium‐based callus culture methods for tissue mass increase. Suspension cultures proved to be very effective for subsequent protoplast isolation. Protoplast electroporation resulted in a 3.3 ± 1.5% transformation efficiency. A dual fluorescent reporter gene vector enabled the direct comparison of the CAMV 35S promoter with the switchgrass ubi2 promoter in single cells of Arundo. The switchgrass ubi2 promoter resulted in noticeably higher reporter gene expression compared with that conferred by the 35S promoter in Arundo.
Randomized open-label phase II study comparing oxycodone–naloxone with oxycodone in early return of gastrointestinal function after laparoscopic colorectal surgery
Authors: Creamer F , Balfour A , Nimmo S , Foo I , Norrie J D , Williams L J , Fearon K C , Paterson H M 
Published: October 2016

Abstract

Background
Combined oral modified-release oxycodone–naloxone may reduce opioid-induced postoperative gut dysfunction. This study examined the feasibility of a randomized trial of oxycodone–naloxone within the context of enhanced recovery for laparoscopic colorectal resection.

Methods
In a single-centre open-label phase II feasibility study, patients received analgesia based on either oxycodone–naloxone or oxycodone. Primary endpoints were recruitment, retention and protocol compliance. Secondary endpoints included a composite endpoint of gut function (tolerance of solid food, low nausea/vomiting score, passage of flatus or faeces).

Results
Eighty-two patients were screened and 62 randomized (76 per cent); the attrition rate was 19 per cent (12 of 62), leaving 50 patients who received the allocated intervention with 100 per cent follow-up and retention (modified intention-to-treat cohort). Protocol compliance was more than 90 per cent. Return of gut function by day 3 was similar in the two groups: 13 (48 per cent) of 27 in the oxycodone–naloxone group and 15 (65 per cent) of 23 in the control group (95 per cent c.i. for difference −10·0 to 40·7 per cent; P = 0·264). However, patients in the oxycodone–naloxone group had a shorter time to first bowel movement (mean(s.d.) 87(38) h versus 111(37) h in the control group; 95 per cent c.i. for difference 2·3 to 45·4 h, P = 0·031) and reduced total (oral plus parenteral) opioid consumption (mean(s.d.) 78(36) versus 94(56) mg respectively; 95 per cent c.i. for difference −10·2 to 42·8 mg, P = 0·222).

Conclusion
High participation, retention and protocol compliance confirmed feasibility. Potential benefits of oxycodone–naloxone in reducing time to bowel movement and total opioid consumption could be tested in a randomized trial. Registration number: NCT02109640 (https://www.clinicaltrials.gov/).
Efficient and selective Palladium‐catalyzed Telomerization of 1,3‐Butadiene with Carbon Dioxide
Authors: Sharif Muhammad , Jackstell Ralf , Dastgir Sarim , Al‐Shihi Badria , Beller Matthias 
Published: October 2016

AbstractA more efficient telomerization of 1,3‐butadiene with carbon dioxide leading to the valuable δ‐lactone 1 (3‐ethylidene‐6‐vinyltetrahydro‐2H‐pyran‐2‐one) is reported. The key to success is the use of a palladium/TOMPP‐catalyst system (TOMPP=tris‐(o‐methoxyphenyl)‐phosphine), which provided under optimal conditions significantly increased yields of the desired product and improved catalyst turnover numbers (TON=1500).
Experimental Characterization of a Flow‐through Pulsation Damper Regarding Pressure Pulsations and Vibrations
Authors: Koegler Andreas F. , Haselmann Daniel , Alt Nicolas S. A. , Schluecker Eberhard 
Published: October 2016

AbstractPressure attenuators, especially side branch bladder‐type accumulators, for suppression of pressure pulsations in industrial fluid applications are not suitable for higher‐pressure pulsation frequencies, e.g., with centrifugal pumps. Accumulators of the flow‐through‐type promise a faster response time and thus a wider application range. The damping performance of a flow‐through pressure accumulator with respect to fluid pressure pulsations and the resulting structure‐borne noise was investigated. The influence of varying pulsation frequencies, damper precharge pressure, and damping effect throughout the piping system was evaluated. Experiments were performed in an industrial‐scale closed‐loop test facility, with both pressure pulsations and piping vibrations in the focus. The damper, characterized by means of high‐speed video analysis, proved to be capable of damping effectively the pressure pulsations and piping vibrations induced by a centrifugal pump.
Demonstration of Controllable Electricity Production via Biogas Plants
Authors: Häring Georg , Sonnleitner Matthias , Bär Katharina , Brown Neil , Zörner Wilfried 
Published: October 2016

AbstractWith the expansion of renewable, but fluctuating power generation from wind and solar energy, the demand placed on the security and reliability of supply is increasing. To ensure grid stability in the future, controllable power production via biogas plants has great technical and economic potential. In order to demonstrate the operation of controllable electricity production, an existing industrial‐scale biogas plant was modified to produce electricity in accordance to the demands of the electricity market. In the course of scientific monitoring, extensive instrumentation was installed at the demonstration plant, which allows detailed evaluation of the operation of the limited gas storage volume and the behavior of the combined heat and power units (CHPs) during flexible operation.
Design Parameters for Performing Circulating Turbulent Fluidization with a Single Feed Stage Fluidized Bed Reactor
Authors: Boonprasop Sutthichai , Chalermsinsuwan Benjapon , Piumsomboon Pornpote 
Published: October 2016

AbstractA fluidization reactor was designed to study the possibility of performing circulating turbulent fluidized bed (CTFB) by using only single feed gas injection. The effect of the design parameters was studied based on the Geldart classification and Archimedes number. Two sizes of sand particles represented Geldart group B, whereas a polyvinyl chloride particle represented the Geldart group A. The effect of the operating parameters was studied by manipulating the solid recirculation rates. Interpretation of the solid fraction profile along riser height could be used to determine the bed front. The appearance of CTFB in the system was indicated by the disappearance of the bed front along the riser height. A suitable riser height was lower than the maximum solid particle bed expansion; this is a crucial design parameter to support the action of CTFB.
Cobalt‐Catalyzed Reductive Cross‐Coupling Between Styryl and Benzyl Halides
Authors: Cai Yingxiao , Benischke Andreas D. , Knochel Paul , Gosmini Corinne 
Published: October 2016

AbstractA simple and efficient protocol for the direct reductive cross‐coupling between alkenyl and benzyl halides using a Co/Mn system has been developed. This reaction proceeds smoothly in the presence of [CoBr2(PPh3)2] as the catalyst, with NaI as an additive in acetonitrile with a broad scope of functionalized alkenyl and benzyl halides. Different functional groups are tolerated on both coupling partners, thus, significantly extending the general scope of transition‐metal‐catalyzed benzylation of alkenyl halides. Moderate to excellent yields were also obtained. From a mechanistic point of view, a radical chain mechanism was proposed. This reaction is stereospecific and some studies suggest the retention of the double‐bond configuration.
Near‐Ultraviolet Fluorescent “ON‐OFF‐ON” Switching Sensors Based on Nitrogen‐Enriched Dual‐Color Single‐Functional Polymer Carbon Nanosheets
Authors: Wang Zhong‐Xia , Kong Fen‐Ying , Wang Wei 
Published: October 2016

AbstractGraphene quantum‐dot‐like structures of highly enriched N‐based dual‐color single‐functional polymer carbon nanosheets (GLNPCNs) with an average diameter as large as 170 nm (ca. five layers) are prepared through a facile hydrothermal method. Intermolecular C5H5N5⋅⋅⋅C5H5N5 and/or C2H5OH chemical polymerization interactions in the liquid state of the peripheral crown‐ether‐like “hole”‐decorated compound GLNPCNs lead to a fascinating 2 D supramolecular polymer architecture, which exhibits near‐ultraviolet (NUV) fluorescence, ultrahigh brightness, a narrow full‐width at half‐maximum, and excellent potential for practical applications. The unique NUV fluorescence of the GLNPCNs might be attributed to the “self‐passivated” crown‐ether‐like layer on their surface; the GLNPCNs exhibit properties independent of the excitation wavelength, which is unexpected in the NUV region. Moreover, these GLNPCNs show highly selective and sensitive detection of hazardous and toxic silver (Ag+) ions, and discriminate other metal ions or anions in the range 1.5 nm to 50 μm through a fluorescence quenching response. The high sensing selectivity toward Ag+ ions could be attributable to the restricted rigid conformation of the peripheral crown‐ether‐like “hole”, which binds exclusively to the Ag+ ion. In addition to Ag+ ion sensing, the GLNPCNs quenched by Ag+ ions exhibit high selectivity and sensitivity for cysteine (Cys) in the range 2.0 nm to 50 μm through a fluorescence recovery process, which could be attributed to the effective coordination/chelation interactions between Ag+ ions and the plentiful mercapto and amino groups of Cys. Our results suggest that the facile preparation, biocompatibility, outstanding photoluminescence, and physicochemical properties of these GLNPCNs make them potentially useful in numerous applications such as bioimaging, optical and electrochemical sensors, and energy devices.
Ferrocenyl‐Coupled N‐Heterocyclic Carbene Complexes of Gold(I): A Successful Approach to Multinuclear Anticancer Drugs
Authors: Muenzner Julienne K. , Biersack Bernhard , Albrecht Alexander , Rehm Tobias , Lacher Ulrike , Milius Wolfgang , Casini Angela , Zhang Jing‐Jing , Ott Ingo , Brabec Viktor , Stuchlikova Olga , Andronache Ion C. , Kaps Leonard , Schuppan Detlef , Schobert Rainer 
Published: October 2016

AbstractFour gold(I) carbene complexes featuring 4‐ferrocenyl‐substituted imidazol‐2‐ylidene ligands were investigated for antiproliferative and antivascular properties. They were active against a panel of seven cancer cell lines, including multidrug‐resistant ones, with low micromolar or nanomolar IC50 (72 h) values, according to their lipophilicity and cellular uptake. The delocalized lipophilic cationic complexes 8 and 10 acted by increasing the reactive oxygen species in two ways: through a genuine ferrocene effect and by inhibiting the thioredoxin reductase. Both complexes gave rise to a reorganization of the F‐actin cytoskeleton in endothelial and melanoma cells, associated with a G1 phase cell cycle arrest and a retarded cell migration. They proved antiangiogenic in tube formation assays with endothelial cells and vascular‐disruptive on real blood vessels in the chorioallantoic membrane of chicken eggs. Biscarbene complex 10 was also tolerated well by mice where it led to a volume reduction of xenograft tumors by up to 80 %.
ChemInform Abstract: Structure, Ionization, and Fragmentation of Hydrogenated Aluminoboron Clusters: Al2B2H2n (n = 0—6).
Authors: Muz Iskender , Canko Osman , Atis Murat 
Published: October 2016

AbstractEnergetic and structural stability of Al2B2H2n (n = 0—6) clusters is investigated by DFT calculations and a stochastic search algorithm.
ChemInform Abstract: Crystal Structures of the Four New Quaternary Copper(I)—Selenides A0.5CuZrSe3 and ACuYSe3 (A: Sr, Ba).
Authors: Maier Stefan , Prakash Jai , Berthebaud David , Perez Olivier , Bobev Svilen , Gascoin Franck 
Published: October 2016

AbstractSingle crystals of Sr0.5CuZrSe3 (I), Ba0.5CuZrSe3 (II), SrCuYSe3 (III), and BaCuYSe3 (IV) are prepared by solid state reactions of stoichiometric amounts of Cu or Cu2Se (in case of (III)), Ba or BaSe (in case of (II)), and the remaining elements (sealed silica ampoules, 1.