bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rectangular Maze Construction by Combining Algorithms and Designed Graph Patterns
Authors: Chou Wen-Shou 
Published: September 2016

AbstractRectangular digital mazes can be constructed by algorithms automatically. However, visual aesthetics such as the shapes and structures of mazes can’t be created gracefully due to the mechanic characteristics of algorithms. This study proposed a method to combine the maze generation algorithm and the graph patterns designed by designers, in order to make mazes can be constructed not only automatically but also creatively.
Analysis of long‐term observations of NOx and CO in megacities and application to constraining emissions inventories
Authors: Hassler Birgit , McDonald Brian C. , Frost Gregory J. , Borbon Agnes , Carslaw David C. , Civerolo Kevin , Granier Claire , Monks Paul S. , Monks Sarah , Parrish David D. , Pollack Ilana B. , Rosenlof Karen H. , Ryerson Thomas B. , von Schneidemesser Erika , Trainer Michael 
Published: September 2016

AbstractLong‐term atmospheric NOx/CO enhancement ratios in megacities provide evaluations of emission inventories. A fuel‐based emission inventory approach that diverges from conventional bottom‐up inventory methods explains 1970–2015 trends in NOx/CO enhancement ratios in Los Angeles. Combining this comparison with similar measurements in other U.S. cities demonstrates that motor vehicle emissions controls were largely responsible for U.S. urban NOx/CO trends in the past half century. Differing NOx/CO enhancement ratio trends in U.S. and European cities over the past 25 years highlights alternative strategies for mitigating transportation emissions, reflecting Europe's increased use of light‐duty diesel vehicles and correspondingly slower decreases in NOx emissions compared to the U.S. A global inventory widely used by global chemistry models fails to capture these long‐term trends and regional differences in U.S. and Europe megacity NOx/CO enhancement ratios, possibly contributing to these models' inability to accurately reproduce observed long‐term changes in tropospheric ozone.
Mixing in Shake Flask Bioreactor
Authors: Sundaramurthy Suresh 
Published: September 2016

AbstractOxygen availability is critical for microbial growth in various bioreactors. Therefore, mixing is a common operation, which is usually performed by shaker, agitator, or both. Power consumption is an important quantitative parameter in describing flow regime and mass transfer characteristics in fermenters and in designing and operating them. In this chapter, mixing and oxygen transfer modeling in shake flasks are introduced and methods to measure power consumption are discussed.
Technology's Impact on the Biomanufacturing Facility of the Future
Authors: Odum Jeffrey , Witcher Mark 
Published: September 2016

Abstract
Concerns about product quality, environmental impact, cost of goods, as well as expectations for sophisticated products including cellular and genetic therapies, and recent advances in manufacturing technologies have added significantly to the challenges and opportunities in the biotechnology industry. New enabling technologies, including high productive process, single‐use systems (SUSs), and process automation, have many advantages. They improve flexibility, thereby lower capital and construction costs; reduce energy consumption, thus lower operating costs; allow for more efficient product development; and increase the throughput of a biopharmaceutical manufacturing facility.
Utilizing process and enterprise automation systems, facilities are capable of providing multiproduct manufacturing. The single‐use or disposable component technology allows for simplified and more efficient facility, which is also more environmentally friendly. Indeed, reduction in carbon footprint associated with SUSs can be more than 50%.
Cs2CO3‐Promoted Michael Addition‐[2,3]‐Sigmatropic Rearrangement Domino Reaction: Facile Synthesis of a 3‐Substituted Indoles Bearing a Homoallyl Sulfide Moiety
Authors: Du Yanlong , Yu Aimin , Zhang Youquan , Jia Jiru , Meng Xiangtai 
Published: September 2016

AbstractA Cs2CO3‐promoted Michael addition‐[2,3]‐sigmatropic rearrangement domino reaction between arenesulfonylindole and sulfur ylide has been developed. This reaction affords a facile method for the synthesis of 3‐substituted indoles with a homoallyl sulfide moiety. In this domino sequence, two C−C bonds and one C−C bond cleavage were formed.
Structural and Biochemical Analysis of Protein–Protein Interactions Between the Acyl‐Carrier Protein and Product Template Domain
Authors: Barajas Jesus F. , Finzel Kara , Valentic Timothy R. , Shakya Gaurav , Gamarra Nathan , Martinez Delsy , Meier Jordan L. , Vagstad Anna L. , Newman Adam G. , Townsend Craig A. , Burkart Michael D. , Tsai Shiou‐Chuan 
Published: September 2016

AbstractIn fungal non‐reducing polyketide synthases (NR‐PKS) the acyl‐carrier protein (ACP) carries the growing polyketide intermediate through iterative rounds of elongation, cyclization and product release. This process occurs through a controlled, yet enigmatic coordination of the ACP with its partner enzymes. The transient nature of ACP interactions with these catalytic domains imposes a major obstacle for investigation of the influence of protein–protein interactions on polyketide product outcome. To further our understanding about how the ACP interacts with the product template (PT) domain that catalyzes polyketide cyclization, we developed the first mechanism‐based crosslinkers for NR‐PKSs. Through in vitro assays, in silico docking and bioinformatics, ACP residues involved in ACP–PT recognition were identified. We used this information to improve ACP compatibility with non‐cognate PT domains, which resulted in the first gain‐of‐function ACP with improved interactions with its partner enzymes. This advance will aid in future combinatorial biosynthesis of new polyketides.
Isotopologous Organotellurium Probes Reveal Dynamic Hypoxia In Vivo with Cellular Resolution
Authors: Edgar Landon J. , Vellanki Ravi N. , McKee Trevor D. , Hedley David , Wouters Bradly G. , Nitz Mark 
Published: September 2016

AbstractChanges in the oxygenation state of microenvironments within solid tumors are associated with the development of aggressive cancer phenotypes. Factors that influence cellular hypoxia have been characterized; however, methods for measuring the dynamics of oxygenation at a cellular level in vivo have been elusive. We report a series of tellurium‐containing isotopologous probes for cellular hypoxia compatible with mass cytometry (MC)—technology that allows for highly parametric interrogation of single cells based on atomic mass spectrometry. Sequential labeling with the isotopologous probes (SLIP) in pancreatic tumor xenograft models revealed changes in cellular oxygenation over time which correlated with the distance from vasculature, the proliferation of cell populations, and proximity to necrosis. SLIP allows for capture of spatial and temporal dynamics in vivo using enzyme activated probes.
Tunable Probes with Direct Fluorescence Signals for the Constitutive and Immunoproteasome
Authors: Dubiella Christian , Cui Haissi , Groll Michael 
Published: September 2016

AbstractElectrophiles are commonly used for the inhibition of proteases. Notably, inhibitors of the proteasome, a central determinant of cellular survival and a target of several FDA‐approved drugs, are mainly characterized by the reactivity of their electrophilic head groups. We aimed to tune the inhibitory strength of peptidic sulfonate esters by varying the leaving groups. Indeed, proteasome inhibition correlated well with the pKa of the leaving group. The use of fluorophores as leaving groups enabled us to design probes that release a stoichiometric fluorescence signal upon reaction, thereby directly linking proteasome inactivation to the readout. This principle could be applicable to other sulfonyl fluoride based inhibitors and allows the design of sensitive probes for enzymatic studies.
Model for the capacity of the urban signal intersection with work zone
Authors: Yang Da , Zhu Liling , Ma Lina , Sun Ruoxiao 
Published: September 2016

SummaryWork zones exist widely on urban arterials in the cities that are undergoing road construction or maintenance. However, the existing studies on arterial work zones are very limited, especially on the work zones at urban intersections, although they have a severe negative impact on the urban traffic system. For the first time, this study focuses on how work zones reduce intersection capacity. A type of widely observed work zone, the straddling work zone that straddles on a road segment and an intersection, is studied. A linear regression model and a multiplicative model suggested by Highway Capacity Manual are proposed respectively to determine the saturation flow rate of the signal intersection with the straddling work zone. The data of 22 straddling work zones are collected and used to evaluate the performances of the proposed models. The results display that the linear regression model outperforms the multiplicative model suggested by Highway Capacity Manual. The study also reveals that reducing approach (or exit) lanes and the mixture of motor vehicles and non‐motor vehicles (and pedestrians) can significantly decrease the capacity of the intersection with straddling work zone. Therefore, in setting a straddling work zone, workers should try to ensure that the intersection approach and exit are unobstructed and set a separation for non‐motors and pedestrians to avoid mixed traffic flow. Copyright © 2016 John Wiley & Sons, Ltd.
Histone deacetylase inhibitors for cancer therapy: An evolutionarily ancient resistance response may explain their limited success
Authors: Halsall John A. , Turner Bryan M. 
Published: September 2016

Histone deacetylase inhibitors (HDACi) are in clinical trials against a variety of cancers. Despite early successes, results against the more common solid tumors have been mixed. How is it that so many cancers, and most normal cells, tolerate the disruption caused by HDACi‐induced protein hyperacetylation? And why are a few cancers so sensitive? Here we discuss recent results showing that human cells mount a coordinated transcriptional response to HDACi that mitigates their toxic effects. We present a hypothetical signaling system that could trigger and mediate this response. To account for the existence of such a response, we note that HDACi of various chemical types are made by a variety of organisms to kill or suppress competitors. We suggest that the resistance response in human cells is a necessary evolutionary consequence of exposure to environmental HDACi. We speculate that cancers sensitive to HDACi are those in which the resistance response has been compromised by mutation. Identifying such mutations will allow targeting of HDACi therapy to potentially susceptible cancers.Also see the video abstract here.
U‐curve relation between cholesterol and prior ischemic stroke
Authors: Bringeland Gerd Haga , Nacu Aliona , Waje‐Andreassen Ulrike , Thomassen Lars , Naess Halvor 
Published: September 2016

AbstractObjectivesPrevious prospective studies on ischemic stroke patients have shown conflicting results concerning the association between cholesterol level and patient outcome. We aimed to investigate the relation between cholesterol level and prior ischemic stroke. We hypothesized that acute ischemic stroke patients with increased cholesterol on admission more frequently had experienced prior ischemic stroke.MethodsAll consecutive patients with acute ischemic stroke (the index stroke) admitted to the Stroke Unit, Department of Neurology, Haukeland University Hospital between February 2006 and October 2013 were prospectively registered in The Bergen NORSTROKE Registry. On admission, cholesterol, low‐density lipoprotein, and high‐density lipoprotein levels were measured and prior ischemic stroke, risk factors, and medication were registered. Patients with prior versus no prior ischemic stroke were compared regarding risk factors, cholesterol levels, and use of statins on admission for the index stroke. Only patients with available cholesterol values measured on admission were included in the analyses.ResultsOf the 2,514 included patients admitted with acute ischemic stroke, 429 (17%) patients had prior ischemic stroke. We found a U‐curve relationship between the relative frequency of prior ischemic stroke and cholesterol level. Lower frequency of prior ischemic stroke was associated with high cholesterol level on admission up to 5.5 mmol/L. For cholesterol levels higher than this, the opposite was true. These associations included all patients and statin‐naive patients. For patients using statin there was a declining relative frequency of prior ischemic stroke from low to high cholesterol levels.ConclusionOur hypothesis was falsified. The association between lower cholesterol levels and higher frequency of prior ischemic stroke in patients with cholesterol <5.5 mmol/L cannot be solely an effect of aggressive statin treatment in patients with prior ischemic stroke, as the association pertained also to patients who did not use statin.
Latent orbital pseudotumor secondary to systemic lupus erythematosus
Authors: Rico María , Díaz‐López José Bernardino , Peña Jorge , Oliva‐Nacarino Pedro 
Published: September 2016

Key Clinical MessageOrbital inflammatory pseudotumor is a rare complication of systemic lupus erythematosus. It may present a challenge for differential diagnosis, especially in the context of treatment with hydroxychloroquine, although dosage and duration of the treatment may guide us. Although high antibody titers can be found, this is not specific.
Palladium(II)@Zirconium‐Based Mixed‐Linker Metal–Organic Frameworks as Highly Efficient and Recyclable Catalysts for Suzuki and Heck Cross‐Coupling Reactions
Authors: Sun Rong , Liu Bing , Li Bo‐Geng , Jie Suyun 
Published: September 2016

AbstractTwo series of amine‐functionalized Zr‐based mixed‐linker metal–organic frameworks (MOFs; UiO‐66‐Mix and UiO‐67‐Mix) have been synthesized with different ratios of 1,4‐benzenedicarboxylate/2‐amino‐1,4‐benzenedicarboxylate and 4,4′‐biphenyldicarboxylic acid/2‐amino‐biphenyl‐4,4′‐dicarboxylic acid incorporated into their structures. The pendant amino groups were postmodified by the condensation reaction with pyridine‐2‐carboxaldehyde, and Pd metal centers were anchored onto the MOFs by coordination to the pyridylimine moieties. The two series of heterogeneous Pd catalysts (UiO‐66‐Mix‐PI‐Pd and UiO‐67‐Mix‐PI‐Pd) were utilized for the Suzuki and Heck cross‐coupling reactions in ethanol/water under mild reaction conditions and they showed a remarkably high catalytic activity. The porosity of the MOFs and the density of the metal binding sites of the Pd catalysts had great influence on the Suzuki and Heck cross‐coupling reactions. The best results were achieved with a very low Pd loading (0.054 mol %), and the use of UiO‐67‐3‐PI‐Pd catalyst led to the complete conversion of reaction substrates. Moreover, the catalysts were readily recovered and recycled in at least 10 cycles without significant leaching or loss of catalytic activity. The catalysts were generally applicable for different reaction substrates with various substituents in both Suzuki and Heck reactions.
Glycerol Hydrogenolysis to 1,3‐Propanediol on Tungstate/Zirconia‐Supported Platinum: Hydrogen Spillover Facilitated by Pt(1 1 1) Formation
Authors: Zhou Wei , Zhao Yujun , Wang Yue , Wang Shengping , Ma Xinbin 
Published: September 2016

AbstractIn glycerol hydrogenolysis, WOxand ReOxcatalysts have been investigated widely because of their importance for the selectivity of 1,3‐propanediol, but few studies have focused on hydrogen spillover. In this work, the hydrogen spillover effect on the catalytic performance was investigated for a series of Pt/WO3/ZrO2nanocatalysts. The spillover capacities were tuned by changing the tetragonal/monoclinic ZrO2composition and thermal treatment conditions of the Pt precursor. H2/O2titration and X‐ray photoelectron spectroscopy (XPS) confirm that all of the catalysts present a uniform Pt dispersion and a similar surface electron environment. Diffuse reflectance infrared Fourier transform spectra of adsorbed CO and H2chemisorption reveal the strong correlation between the amount of Pt(1 1 1) terraces and the spillover capacities. We demonstrate that the reaction rate is influenced by hydrogen spillover, but not the acid amount or acid strength of the catalysts in this case. The important roles of Pt(1 1 1) and WO3in the spillover process are discussed.
Tumour‐Targeted Drug Delivery with Mannose‐Functionalized Nanoparticles Self‐Assembled from Amphiphilic β‐Cyclodextrins
Authors: Ye Zhou , Zhang Quan , Wang Shengtao , Bharate Priya , Varela‐Aramburu Silvia , Lu Mengji , Seeberger Peter H. , Yin Jian 
Published: September 2016

AbstractMultivalent mannose‐functionalized nanoparticles self‐assembled from amphiphilic β‐cyclodextrins (β‐CDs) facilitate the targeted delivery of anticancer drugs to specific cancer cells. Doxorubicin (DOX)‐loaded nanoparticles equipped with multivalent mannose target units were efficiently taken up via receptor‐mediated endocytosis by MDA‐MB‐231 breast cancer cells that overexpress the mannose receptor. Upon entering the cell, the intracellular pH causes the release of DOX, which triggers apoptosis. Targeting by multivalent mannose significantly improved the capability of DOX‐loaded nanoparticles to inhibit the growth of MDA‐MB‐231 cancer cells with minimal side effects in vivo. This targeted and controlled drug delivery system holds promise as a nanotherapeutic for cancer treatment.
Stability and Unimolecular Reactivity of Palladate(II) Complexes [LnPdR3]− (L=Phosphine, R=Organyl, n=0 and 1)
Authors: Kolter Marlene , Koszinowski Konrad 
Published: September 2016

AbstractThe reduction of PdII precatalysts to catalytically active Pd0 species is a key step in many palladium‐mediated cross‐coupling reactions. Besides phosphines, the stoichiometrically used organometallic reagents can afford this reduction, but do so in a poorly understood way. To elucidate the mechanism of this reaction, we have treated solutions of Pd(OAc)2 and a phosphine ligand L in tetrahydrofuran with RMgCl (R=Ph, Bn, Bu) as well as other organometallic reagents. Analysis of these model systems by electrospray‐ ionization mass spectrometry found palladate(II) complexes [LnPdR3]− (n=0 and 1), thus pointing to the occurrence of transmetallation reactions. Upon gas‐phase fragmentation, the [LnPdR3]− anions preferentially underwent a reductive elimination to yield Pd0 species. The sequence of the transmetallation and reductive elimination, thus, constitutes a feasible mechanism for the reduction of the Pd(OAc)2 precatalyst. Other species of interest observed include the PdIV complex [PdBn5]−, which did not fragment via a reductive elimination but lost BnH instead.
ChemInform Abstract: Cu2ZnSnS4 Thin Films Generated from a Single Solution Based Precursor: The Effect of Na and Sb Doping.
Authors: Tiwari Devendra , Koehler Tristan , Lin Xianzhong , Harniman Robert , Griffiths Ian , Wang Lan , Cherns David , Klenk Reiner , Fermin David J. 
Published: September 2016

AbstractCu2ZnSnS4 (CZTS) thin films are prepared by spin coating of a precursor solution on Mo‐coated glass substrates.
ChemInform Abstract: Combined Theoretical and Experimental Approach to the Discovery of Electrochemically Active Mixed Polyanionic Phosphatonitrates, AFePO4NO3 (A: NH4/Li, K).
Authors: Yaghoobnejad Asl Hooman , Choudhury Amitava 
Published: September 2016

AbstractPredictive high‐throughput DFT calculations are performed for the title phosphatonitrate compounds.
ChemInform Abstract: A Mixed‐Ligand Approach for a Gigantic and Hollow Heterometallic Cage {Ni64RE96} for Gas Separation and Magnetic Cooling Applications.
Authors: Chen Wei‐Peng , Liao Pei‐Qin , Yu Youzhu , Zheng Zhiping , Chen Xiao‐Ming , Zheng Yan‐Zhen 
Published: September 2016

AbstractThe isostructural gigantic transition metal/rare earth heterometallic coordination cages {Ni64Ln96} (Ln: Gd, Dy, Y) are obtained as [Ni64Ln96(μ3‐OH)156 (IDA)66(DMPA)12(OAc)48 (NO3)24(H2O)64 ]Cl24·xMeOH·yH2O (IDA: iminodiacetic acid; DMPA: 2,2‐dimethylol propionic acid) from the reaction of Ni(OAc)2, Ln(NO3)3, IDA, DMPA, KCl, and Et3N in a 1:1 H2O/MeOH mixture (autoclave, 160 °C, 3 d; 45, 43, and 25% yield, resp.).
ChemInform Abstract: Carboxyzincation Employing Carbon Dioxide and Zinc Powder: Cobalt‐Catalyzed Multicomponent Coupling Reactions with Alkynes.
Authors: Nogi Keisuke , Fujihara Tetsuaki , Terao Jun , Tsuji Yasushi 
Published: September 2016

AbstractRegio‐ and stereoselective carboxyzincation reactions of alkynes provide (Z)‐β‐zincated acrylates.
ChemInform Abstract: Palladium‐Catalyzed Hydroamidocarbonylation of 1,3‐Dienes.
Authors: Li Haoquan , Fang Xianjie , Jackstell Ralf , Neumann Helfried , Beller Matthias 
Published: September 2016

AbstractA selective method for the synthesis of β,γ‐unsaturated imides via Pd‐catalyzed hydroamidocarbonylation of conjugated dienes under acid additive‐free conditions is developed (28 examples).
ChemInform Abstract: Enantioselective Organocatalytic Construction of Spiroindane Derivatives by Intramolecular Friedel—Crafts‐Type 1,4‐Addition.
Authors: Yoshida Keisuke , Itatsu Yukihiro , Fujino Yuta , Inoue Hiroki , Takao Ken‐ichi 
Published: September 2016

AbstractA highly selective organocatalytic enantioselective intramolecular Friedel—Crafts type cyclization of cycloalkenone onto a resorcin‐type substituent is developed to give a range of spirocyclic indanes.
ChemInform Abstract: Synthesis of α‐Amidoketones from Vinyl Esters via a Catalytic/Thermal Cascade Reaction.
Authors: Holthusen Katharina , Leitner Walter , Francio Giancarlo 
Published: September 2016

AbstractThis cascade reaction includes hydroformylation, condensation with a primary amine, and a rearrangement step giving water as the only byproduct.
ChemInform Abstract: Stereoretentive Addition of N‐tert‐Butylsulfonyl‐α‐amido Silanes to Aldehydes, Ketones, α,β‐Unsaturated Esters, and Imines.
Authors: Mita Tsuyoshi , Saito Keisuke , Sugawara Masumi , Sato Yoshihiro 
Published: September 2016

AbstractThe reaction proceeds with high enantioselectivity.
ChemInform Abstract: Temporary Generation of a Cyclopropyl Oxocarbenium Ion Enables Highly Diastereoselective Donor—Acceptor Cyclopropane Cycloaddition.
Authors: Sabbatani Juliette , Maulide Nuno 
Published: September 2016

AbstractA novel formal [3+2] cycloaddition of cyclopropylacetals and aldehydes is developed.
ChemInform Abstract: Catalyst‐Free Synthesis of 2‐Arylbenzothiazoles in an Air/DMSO Oxidant System.
Authors: Hu Renhe , Li Xiaotong , Tong Yao , Miao Dazhuang , Pan Qiang , Jiang Zengqiang , Gan Haifeng , Han Shiqing 
Published: September 2016

AbstractThe title thiazoles are prepared by cyclization of 2‐aminothiophenol with aryl aldehydes in good to excellent yields.
ChemInform Abstract: Synthesis and Anticancer Evaluation of Novel 9α‐Substituted‐13‐(1,2,3‐triazolo)‐parthenolides.
Authors: Zaki Mohamed , Allouchi Hassan , El Bouakher Abderrahman , Duverger Eric , El Hakmaoui Ahmed , Daniellou Richard , Guillaumet Gerald , Akssira Mohamed 
Published: September 2016

AbstractThe diastereoselective Michael addition of TmsN3 to parthenolide (I) gives the key intermediate (III), which undergoes regioselective 1,3‐dipolar cycloaddition with various alkynes affording triazole derivatives.
ChemInform Abstract: Synthesis of 2‐Aryl‐1,2,3‐triazoles by Oxidative Cyclization of 2‐(Arylazo)ethene‐1,1‐diamines: A One‐Pot Approach.
Authors: Gavlik Kseniya D. , Lesogorova Svetlana G. , Sukhorukova Ekaterina S. , Subbotina Julia O. , Slepukhin Pavel A. , Benassi Enrico , Belskaya Nataliya P. 
Published: September 2016

AbstractThis approach involves a tandem nucleophilic addition of alkylamines to hydrazonoyl cyanides and in situ oxidative cyclization of the resulting 2‐(arylazo)ethene‐1,1‐diamines in the presence of copper(II) acetate and air.