bluuebunny/crossref_metadata_2025_split huggingface dataset:
Life cycle assessment of an integrated forest biorefinery: hot water extraction process case study
Authors: Gilani Banafsheh , Stuart Paul R. 
Published: July 2015

AbstractThe environmental footprint of bioproducts depends on the performance and implementation strategy of the biorefinery processes through which they are produced. Life cycle assessment (LCA) studies are categorized into two general types: attributional and consequential. The consequential life cycle assessment (CLCA) method illustrates the change of flows to and from environment, resulting from different potential decisions. Depending on the analysis goal,CLCAis known to be the proper approach to address the environmental analysis of integrated biorefineries with multiple bioproducts.In this study, anLCAof hot water extraction‐based biorefinery strategy was performed, including five production pathways. Defined process options consisted of an extraction of hemicellulose to produce (i) biogas, (ii) hemicellulose for animal feed, (iii) hemicellulose forC5‐sugars, (iv)C5‐sugars, and (v) furfural. Except for the “biogas”, acetate salt was the by‐product of all the process options. ConsequentialLCAresults proved that the bark consumption, chemicals, and bioproducts transportation have significant environmental impacts. ‘Hemicellulose forC5‐sugars’ and ‘C5‐sugars’ outperformed other alternative options with a greenhouse gas reduction of 80% and 68%, respectively. Also, normalized results of these two options presented remarkable improvement of more than three times in human health impacts in comparison to existing process at the case study mill. © 2015 Society of Chemical Industry and John Wiley & Sons, Ltd
A single cell culture system using lectin‐conjugated magnetite nanoparticles and magnetic force to screen mutant cyanobacteria
Authors: Arai Sayuri , Okochi Mina , Shimizu Kazunori , Hanai Taizo , Honda Hiroyuki 
Published: July 2015

ABSTRACTCyanobacteria can be utilized as a potential biocatalyst for the production of biofuels and biochemicals directly from CO2. Useful mutants of cyanobacteria, which can grow rapidly or are resistant to specific metabolic products, are essential to improve the productivity of biofuels. In this study, we developed a single cell culture system to effectively screen mutant cyanobacteria using magnetite nanoparticles and magnetic force. Lens culinaris Agglutinin (LCA) was selected as a lectin, which binds to the surface of Synechococcus elongatus PCC7942 cells and the LCA‐conjugated magnetite cationic liposomes (MCLs) were developed for magnetic labeling of PCC7942 cells. The MCL‐labeled PCC7942 cells were magnetically patterned at a single cell level by using 6,400 iron pillars of the pin‐holder device. The device enabled 1,600 single cells to be arrayed in one square centimeter. We cultured the patterned cells in liquid medium and achieved higher colony‐forming ratio (78.4%) than that obtained using conventional solid culture method (4.8%). Single cells with different properties could be distinguished in the single cell culture system depending on their growth. Furthermore, we could selectively pick up the target cells and subsequently perform efficient isolation culture. The ratio of successful isolation culture using the developed method was 13 times higher than that of the conventional methods. Thus, the developed system would serve as a powerful tool for screening mutant cyanobacteria. Biotechnol. Bioeng. 2016;113: 112–119. © 2015 Wiley Periodicals, Inc.
Neural basis of motivational approach and withdrawal behaviors in neurodegenerative disease
Authors: Shinagawa Shunichiro , Babu Adhimoolam , Sturm Virginia , Shany‐Ur Tal , Toofanian Ross Parnian , Zackey Diana , Poorzand Pardis , Grossman Scott , Miller Bruce L. , Rankin Katherine P. 
Published: July 2015

AbstractIntroductionThe Behavioral Inhibition System (BIS) and the Behavioral Activation System (BAS) have been theorized as neural systems that regulate approach/withdrawal behaviors. Behavioral activation/inhibition balance may change in neurodegenerative disease based on underlying alterations in systems supporting motivation and approach/withdrawal behaviors, which may in turn be reflected in neuropsychiatric symptoms.MethodA total of 187 participants (31 patients diagnosed with behavioral variant of FTD [bvFTD], 13 semantic variant of primary progressive aphasia [svPPA], 14 right temporal variant FTD [rtFTD], 54 Alzheimer's disease [AD], and 75 older healthy controls [NCs]) were included in this study. Changes in behavioral inhibition/activation were measured using the BIS/BAS scale. We analyzed the correlation between regional atrophy pattern and BIS/BAS score, using voxel‐based morphometry (VBM).ResultsADs had significantly higher BIS scores than bvFTDs and NCs. bvFTDs activation‐reward response (BAS‐RR) was significantly lower than ADs and NCs, though their activation‐drive (BAS‐D) was significantly higher than in ADs. Both AD and rtFTD patients had abnormally low activation fun‐seeking (BAS‐FS) scores. BIS score correlated positively with right anterior cingulate and middle frontal gyrus volume, as well as volume in the right precentral gyrus and left insula/operculum.ConclusionsAD, bvFTD, and rtFTD patients show divergent patterns of change in approach/withdrawal reactivity. High BIS scores correlated with preservation of right‐predominant structures involved in task control and self‐protective avoidance of potentially negative reinforcers. Damage to these regions in bvFTD may create a punishment insensitivity that underlies patients’ lack of self‐consciousness in social contexts.
Pegylated liposomal mitomycin C prodrug enhances tolerance of mitomycin C: a phase 1 study in advanced solid tumor patients
Authors: Golan Talia , Grenader Tal , Ohana Patricia , Amitay Yasmine , Shmeeda Hilary , La‐Beck Ninh M. , Tahover Esther , Berger Raanan , Gabizon Alberto A. 
Published: July 2015

AbstractMitomycin C (MMC) has potent cytotoxicity but cumulative toxicity limits widespread use. In animals, pegylated liposomal mitomycin C lipid‐based prodrug (PL‐MLP) was well tolerated and more effective than free MMC. We evaluated PL‐MLP in patients with advanced cancer. Twenty‐seven patients were treated in escalating dose cohorts of 0.5–3.5 mg/kg (equivalent to 0.15–1.03 mg/kg MMC) every 4 weeks for up to 12 cycles, unless disease progression or unacceptable toxicity occurred. Pharmacokinetics were assessed during cycles 1 and 3. Per protocol maximum tolerated dose was not reached at 3.5 mg/kg. However, prolonged thrombocytopenia developed after repeated doses of 3 mg/kg or cumulative doses of 10–12 mg/kg. Dose‐related grade 3 or higher adverse events included fatigue, anemia, and decreased platelets. Cmax and AUC0‐∞ increased linearly over the dose range 0.5–2.0 mg/kg, and greater than linearly from 2.5 to 3.5 mg/kg; there were no significant differences in clearance of MLP between cycles 1 and 3. Median t1/2 was 23 h among dose cohorts, with no trend by dose or cycle. One patient had a partial response. Stable disease was observed in 10 patients across all dose levels. PL‐MLP has a long circulation time, was well tolerated, and can be administered to heavily pretreated patients at a single dose of 3.0 mg/kg and cumulative dose of 10–12 mg/kg before development of prolonged thrombocytopenia; this is nearly threefold the equivalent dose of MMC tolerated historically. This formulation may be active in a variety of tumor types and is better tolerated than free MMC.
Hydroxybenzaldoximes Are D‐GAP‐Competitive Inhibitors of E. coli 1‐Deoxy‐D‐Xylulose‐5‐Phosphate Synthase
Authors: Bartee David , Morris Francine , Al‐khouja Amer , Freel Meyers Caren L. 
Published: July 2015

Abstract1‐Deoxy‐D‐xylulose 5‐phosphate (DXP) synthase is the first enzyme in the methylerythritol phosphate pathway to essential isoprenoids in pathogenic bacteria and apicomplexan parasites. In bacterial pathogens, DXP lies at a metabolic branch point, serving also as a precursor in the biosynthesis of vitamins B1 and B6, which are critical for central metabolism. In an effort to identify new bisubstrate analogue inhibitors that exploit the large active site and distinct mechanism of DXP synthase, a library of aryl mixed oximes was prepared and evaluated. Trihydroxybenzaldoximes emerged as reversible, low‐micromolar inhibitors, competitive against D‐glyceraldehyde 3‐phosphate (D‐GAP) and either uncompetitive or noncompetitive against pyruvate. Hydroxybenzaldoximes are the first class of D‐GAP‐competitive DXP synthase inhibitors, offering new tools for mechanistic studies of DXP synthase and a new direction for the development of antimicrobial agents targeting isoprenoid biosynthesis.
Tuning of the Temperature Window for Unit‐Cell and Pore‐Size Enlargement in Face‐Centered‐Cubic Large‐Mesopore Silicas Templated by Swollen Block Copolymer Micelles
Authors: Li Yingyu , Yi Jinhui , Kruk Michal 
Published: July 2015

AbstractThe unit‐cell size and pore diameter as functions of temperature are investigated in the syntheses of FDU‐12 silicas with face‐centered cubic structure templated by Pluronic (PEO‐PPO‐PEO) block copolymer micelles swollen by toluene. The temperature range in which the unit‐cell size and pore size strongly increase as temperature decreases is correlated with the critical micelle temperature (CMT) of the surfactant. While Pluronic F127 affords a wide range of unit‐cell parameters (28–51 nm) and pore diameters (16–32 nm), it renders moderately enlarged pore sizes at 25 °C. The use of Pluronic F108 with higher CMT affords FDU‐12 with very large unit‐cell size (∼49 nm) and large pore diameter (27 nm) at 23 °C. Large unit‐cell size (40–41 nm) and pore size (22 nm) were obtained even at 25 °C. The application of Pluronics F87 and F88 with much smaller molecular weights and higher CMTs also allows one to synthesize FDU‐12 with quite large unit‐cell parameters and pore sizes at room temperature. The present work demonstrates that one can judiciously select Pluronic surfactants with appropriate CMT to shift the temperature range in which the pore diameter is readily tunable.
Organometallic Probe for the Electronics of Base‐Stabilized Group 11 Metal Cations
Authors: Braunschweig Holger , Ewing William C. , Kramer Thomas , Mattock James D. , Vargas Alfredo , Werner Christine 
Published: July 2015

AbstractA number of trimetalloborides have been synthesized through the reactions of base‐stabilized coinage metal chlorides with a dimanganaborylene lithium salt in the hope of using this organometallic platform to compare and evaluate the electronics of these popular coinage metal fragments. The adducts of CuI, AgI, and AuI ions, stabilized by tricyclohexylphosphine (PCy3), N‐1,3‐bis(4‐methylphenyl)imidazol‐2‐ylidene (ITol), or 1‐(2,6‐diisopropylphenyl)‐3,3,5,5‐tetramethylpyrrolidin‐2‐ylidene (CAAC), with [{Cp(CO)2Mn}2B]− were studied spectroscopically, structurally, and computationally. The geometries of the adducts fall into two classes, one symmetric and one asymmetric, each relying on the combined characteristics of both the metal and ligand. The energetic factors proposed as the causes of the structural differences were investigated by ETS‐NOCV (extended transition state‐natural orbitals for chemical valence) analysis, which showed the final geometry to be controlled by the competition between the tendency of the coinage metal to adopt a higher or lower coordination number and the willingness of the cationic fragment to participate in back‐bonding interactions.
Combined Experimental and Simulation Studies Suggest a Revised Mode of Action of the Anti‐Alzheimer Disease Drug NQ‐Trp
Authors: Berthoumieu Olivia , Nguyen Phuong H. , Castillo‐Frias Maria P. del , Ferre Sabrina , Tarus Bogdan , Nasica‐Labouze Jessica , Noël Sabrina , Saurel Olivier , Rampon Claire , Doig Andrew J. , Derreumaux Philippe , Faller Peter 
Published: July 2015

AbstractInhibition of the aggregation of the monomeric peptide β‐amyloid (Aβ) into oligomers is a widely studied therapeutic approach in Alzheimer’s disease (AD). Many small molecules have been reported to work in this way, including 1,4‐naphthoquinon‐2‐yl‐L‐tryptophan (NQ‐Trp). NQ‐Trp has been reported to inhibit aggregation, to rescue cells from Aβ toxicity, and showed complete phenotypic recovery in an in vivo AD model. In this work we investigated its molecular mechanism by using a combined approach of experimental and theoretical studies, and obtained converging results. NQ‐Trp is a relatively weak inhibitor and the fluorescence data obtained by employing the fluorophore widely used to monitor aggregation into fibrils can be misinterpreted due to the inner filter effect. Simulations and NMR experiments showed that NQ‐Trp has no specific “binding site“‐type interaction with mono‐ and dimeric Aβ, which could explain its low inhibitory efficiency. This suggests that the reported anti‐AD activity of NQ‐Trp‐type molecules in in vivo models has to involve another mechanism. This study has revealed the potential pitfalls in the development of aggregation inhibitors for amyloidogenic peptides, which are of general interest for all the molecules studied in the context of inhibiting the formation of toxic aggregates.
Silanization‐Based Zeolite Crystallization: Participation Degree and Pathway
Authors: Yan Yueer , Azhati Arepati , Guo Xiao , Zhang Yahong , Tang Yi 
Published: July 2015

AbstractA clear and deep understanding of zeolite crystallization with the addition of organosilane is desirable for the reasonable design and preparation of hierarchical zeolites. Herein, the effects of different organosilanes on zeolite crystallization were systematically studied. It was found that organosilane plays the role of an inhibitor in the silanization‐based zeolite preparation, and this inhibition effect was determined by its participation degree. An organosilane with a high participation degree can result in the prolongation of nucleation and growth periods of zeolite as well as the variation of product properties. More importantly, a dynamic participation pathway of organosilane is proposed, that is, the growth of zeolite is accompanied by the continuous removal of organosilane, leading to an increase of product crystallinity as well as the decrease of mesoporosity. This study gives a new insight into the role that organosilane plays in zeolite crystallization, which will help to direct the rational selection of organosilane and design of crystallization condition for the optimal synthesis of hierarchical zeolites.
An Azine‐Linked Covalent Organic Framework: Synthesis, Characterization and Efficient Gas Storage
Authors: Li Zhongping , Zhi Yongfeng , Feng Xiao , Ding Xuesong , Zou Yongcun , Liu Xiaoming , Mu Ying 
Published: July 2015

AbstractA azine‐linked covalent organic framework, COF‐JLU2, was designed and synthesized by condensation of hydrazine hydrate and 1,3,5‐triformylphloroglucinol under solvothermal conditions for the first time. The new covalent organic framework material combines permanent micropores, high crystallinity, good thermal and chemical stability, and abundant heteroatom activated sites in the skeleton. COF‐JLU2 possesses a moderate BET surface area of over 410 m2 g−1 with a pore volume of 0.56 cm3 g−1. Specifically, COF‐JLU2 displays remarkable carbon dioxide uptake (up to 217 mg g−1) and methane uptake (38 mg g−1) at 273 K and 1 bar, as well as high CO2/N2 (77) selectivity. Furthermore, we further highlight that it exhibits a higher hydrogen storage capacity (16 mg g−1) than those of reported COFs at 77 K and 1 bar.
Experimental and Theoretical Studies on the Magnetic Anisotropy in Lanthanide(III)‐Centered Fe3Ln Propellers
Authors: Rigamonti Luca , Nava Andrea , Boulon Marie‐Emmanuelle , Luzon Javier , Sessoli Roberta , Cornia Andrea 
Published: July 2015

AbstractCompounds [Fe3Ln(tea)2(dpm)6] (Fe3Ln; Ln= Tb–Yb, H3tea=triethanolamine, Hdpm=dipivaloylmethane) were synthesized as lanthanide(III)‐centered variants of tetrairon(III) single‐molecule magnets (Fe4) and isolated in crystalline form. Compounds with Ln=Tb–Tm are isomorphous and show crystallographic threefold symmetry. The coordination environment of the rare earth, given by two tea3− ligands, can be described as a bicapped distorted trigonal prism with D3 symmetry. Magnetic measurements showed the presence of weak ferromagnetic Fe⋅⋅⋅Ln interactions for derivatives with Tb, Dy, Ho, and Er, and of weak antiferromagnetic or negligible coupling in complexes with Tm and Yb. Alternating current susceptibility measurements showed simple paramagnetic behavior down to 1.8 K and for frequencies reaching 10000 Hz, despite the easy‐axis magnetic anisotropy found in Fe3Dy, Fe3Er, and Fe3Tm by single‐crystal angle‐resolved magnetometry. Relativistic quantum chemistry calculations were performed on Fe3Ln (Ln=Tb–Tm): the ground J multiplet of Ln3+ ion is split by the crystal field to give a ground singlet state for Tb and Tm, and a doublet for Dy, Ho, and Er with a large admixture of mJ states. Gyromagnetic factors result in no predominance of gz component along the threefold axis, with comparable gx and gy values in all compounds. It follows that the environment provided by the tea3− ligands, though uniaxial, is unsuitable to promote slow magnetic relaxation in Fe3Ln species.
A Highly K+‐Selective Two‐Photon Fluorescent Probe
Authors: Schwarze Thomas , Riemer Janine , Eidner Sascha , Holdt Hans‐Jürgen 
Published: July 2015

AbstractA highly K+‐selective two‐photon fluorescent probe for the in vitro monitoring of physiological K+ levels in the range of 1–100 mM is reported. The two‐photon excited fluorescence (TPEF) probe shows a fluorescence enhancement (FE) by a factor of about three in the presence of 160 mM K+, independently of one‐photon (OP, 430 nm) or two‐photon (TP, 860 nm) excitation and comparable K+‐induced FEs in the presence of competitive Na+ ions. The estimated dissociation constant (Kd) values in Na+‐free solutions (KdOP=(28±5) mM and KdTP=(36±6) mM) and in combined K+/Na+ solutions (KdOP=(38±8) mM and KdTP=(46±25) mM) reflecting the high K+/Na+ selectivity of the fluorescent probe. The TP absorption cross‐section (σ2PA) of the TPEF probe+160 mM K+ is 26 GM at 860 nm. Therefore, the TPEF probe is a suitable tool for the in vitro determination of K+.
A Stable Polyoxometalate‐Pillared Metal–Organic Framework for Proton‐Conducting and Colorimetric Biosensing
Authors: Zhou En‐Long , Qin Chao , Huang Peng , Wang Xin‐Long , Chen Wei‐Chao , Shao Kui‐Zhan , Su Zhong‐Min 
Published: July 2015

AbstractA stable metal–organic framework pillared by Keggin‐type polyoxometalate, Cu6(Trz)10(H2O)4[H2SiW12O40]⋅8 H2O (Trz=1,2,4‐triazole) (1), has been prepared under hydrothermal condition. The 2D layer structure with a 22‐member ring was formed by Cu2+ ions, which are connected with each other via the Trz ligands on the ab plane. Thus, the 2D layers are further interconnected through Keggin polyoxoanions to generate a 3D porous network with a small 1D channel. Moreover, the presence of polyoxoanions make it exhibit selective adsorption of water and proton‐conducting properties. Additionally it showed efficient intrinsic peroxidase‐like activity, providing a simple and sensitive colorimetric assay to detect H2O2.
Origin of Orthogonality of Strain‐Promoted Click Reactions
Authors: Wagner Johannes A. , Mercadante Davide , Nikić Ivana , Lemke Edward A. , Gräter Frauke 
Published: July 2015

AbstractSite‐specific labeling of biomolecules is rapidly advancing due to the discovery of novel mutually orthogonal reactions. Quantum chemistry studies have also increased our understanding of their relative rates, although these have until now been based on highly simplified reactants. Here we examine a set of strain‐promoted click‐type cycloaddition reactions of n‐propyl azide, 3‐benzyl tetrazine and 3‐benzyl‐6‐methyl tetrazine with cyclooctenes/ynes, in which we aim to address all relevant structural details of the reactants. Our calculations have included the obligatory handles used to attach the label and biomolecule as these can critically influence the stereochemistry and electron demand of the reaction. We systematically computed orbital gaps, activation and distortion energies using density functional theory and determined experimental rates for validation. Our results challenge the current paradigm of the inverse electron demand for this class of reactions. We found that the ubiquitous handles, when next to the triple bond of cyclooctynes, can switch the Diels–Alder type ligations to normal electron demand, a class we term as SPINEDAC reactions. Electron donating substituents on tetrazine can enhance normal demand but also increase distortion penalties. The presence and isomeric configuration of handles thus determine the reaction speed and regioselectivity. Our findings can be directly utilized in engineering genuine cycloaddition click chemistries for biological labeling.
Charged Porous Polymers using a Solid CO Cross‐Coupling Reaction
Authors: Zhang Pengfei , Jiang Xueguang , Wan Shun , Dai Sheng 
Published: July 2015

AbstractHerein, we report a green, fast, efficient mechanochemical strategy for charged porous polymers (CPPs). A cationic CPP with basic anions and an anionic CPP with Li+ cations were fabricated by solid grinding under solvent‐free conditions. Compared with solution‐based synthesis, mechanochemical grinding can shorten the reaction time from dozens of hours to several minutes (60–90 min) to form polymers possessing a high molecular mass and low polydispersity. During the construction of CPPs, a Pd‐catalyzed solid polycondensation based on unactivated organic linkers was introduced. In particular, CPPs with basic phenolic or proline anions showed good activity and stability in SO2 capture, and Li+‐functionalized CPPs can be post‐modified to CPPs with other metal ions by ion exchange, highlighting the tailorable feature of ionic‐modified CPPs.
D3h‐Symmetric Porphyrin‐Based Rigid Macrocyclic Ligands for Multicofacial Multinuclear Complexes in a One‐Nanometer‐Sized Cavity
Authors: Ohkoda Yohei , Asaishi Akane , Namiki Tomoya , Hashimoto Tomoaki , Yamada Midori , Shirai Koichiro , Katagami Yuta , Sugaya Tomoaki , Tadokoro Makoto , Satake Akiharu 
Published: July 2015

AbstractThe one‐step synthesis of D3h‐symmetric cyclic porphyrin trimers 1 composed of three 2,2′‐[4,4′‐bis(methoxycarbonyl)]bipyridyl moieties and three porphyrinatozinc moieties was achieved from a nickel‐mediated reductive coupling of meso‐5,15‐bis(6‐chloro‐4‐methoxycarbonylpyrid‐2‐yl)porphyrinatozinc. Although cyclic trimers 1 were obtained as a mixture that included other cyclic and acyclic porphyrin oligomers, an extremely specific separation was observed only for cyclic trimers 1 when using columns of silica gel modified with pyrenylethyl, cyanopropyl, and other groups. Structural analysis of cyclic trimers 1 was carried out by means of NMR spectroscopy and X‐ray crystallography. Treatment of an η3‐allylpalladium complex with a cyclic trimer gave a tris(palladium) complex containing three η3‐allylpalladium groups inside the space, which indicated that the bipyridyl moieties inside the ring could work as bidentate metalloligands.