bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boosting the Efficiency of SnO2‐Triple Cation Perovskite System Beyond 20% Using Nonhalogenated Antisolvent
Authors: Lee Hock Beng , Jeon Mi‐Kyung , Kumar Neetesh , Tyagi Barkha , Kang Jae‐Wook 
Published: June 2019

AbstractSolution‐processed triple‐cation perovskite solar cells (PSCs) rely on complex compositional engineering or delicate interfacial passivation to balance the trade‐off between cell efficiency and long‐term stability. Herein, the facile fabrication of highly efficient, stable, and hysteresis‐free tin oxide (SnO2)‐based PSCs is demonstrated with a champion cell efficiency of 20.06% using a green, halogen‐free antisolvent. The antisolvent, composed of ethyl acetate (EA) solvent and hexane (Hex) in different proportions, works exquisitely in regulating perovskite crystal growth and passivating grain boundaries, leading to the formation of a crack‐free perovskite film with enlarged grain size. The high quality perovskite film inhibits carrier recombination and substantially improves the cell efficiency, without requiring an additional enhancer/passivation layer. Furthermore, these PSCs also demonstrate remarkable long‐term stability, whereby unencapsulated cells exhibit a power conversion efficiency (PCE) retention of ≈71% after >1500 hours of storage under ambient condition. For encapsulated cells, an astounding PCE retention of >98% is recorded after >3000 hours of storage in air. Overall, this work realizes the fabrication of SnO2‐based PSCs with a performance greater or comparable to the state‐of‐the‐art PSCs produced with halogenated antisolvents. Evidently, EA–Hex antisolvent can be an extraordinary halogen‐free alternative in maximizing the performance of PSCs.
Nature Helps: Toward Bioinspired Bactericidal Nanopatterns
Authors: Ganjian Mahya , Modaresifar Khashayar , Ligeon Manon R. O. , Kunkels Lorenzo B. , Tümer Nazli , Angeloni Livia , Hagen Cornelis W. , Otten Linda G. , Hagedoorn Peter‐Leon , Apachitei Iulian , Fratila‐Apachitei Lidy E. , Zadpoor Amir A. 
Published: June 2019

AbstractDevelopment of synthetic bactericidal surfaces is a drug‐free route to the prevention of implant‐associated infections. Surface nanotopographies with specific dimensions have been shown to kill various types of bacterial strains through a mechanical mechanism, while regulating stem cell differentiation and tissue regeneration. The effective ranges of dimensions required to simultaneously achieve both aims are in the <200 nm range. Here, a nanoscale additive manufacturing (=3D printing) technique called electron beam induced deposition (EBID) is used to fabricate nanopillars with reproducible and precisely controlled dimensions and arrangements that are within those effective ranges (i.e. a height of 190 nm, a diameter of 80 nm, and an interspacing of 170 nm). When compared to the flat surface, the nanopatterned surfaces show a significant bactericidal activity against both Escherichia coli and Staphylococcus aureus (with respective killing efficiencies of 97 ± 1% and 36 ± 5%). Direct penetration of nanopatterns into the bacterial cell wall leads to the disruption of the cell wall and cell death. The more rigid cell wall of S. aureus is consistent with the decreased killing efficiency. These findings support the development of nanopatterns with precisely controlled dimensions that are capable of killing both Gram‐negative and Gram‐positive bacteria.
Stripping and recycling of metal ions in aqueous nitric acid solutions: Experimental and molecular dynamics insights
Authors: Biswas Rima , Banerjee Tamal , Ghosh Pallab , Ali Sheikh Musharaf 
Published: June 2019

AbstractStripping of metal ions (i.e., Cs+ and Na+) in presence of ionophore such as dibenzo‐18‐crown‐6, (DB18C6) from the ionic liquid phase to the aqueous nitric acid phase by molecular dynamics simulation is reported. The experimentally determined stripping percentages of Na+ (i.e., 43.4, 38.5, 34.4, and 31.9%) were found to be higher than the same for Cs+ (i.e., 32.6, 32.0, 31.3, and 30.2%). The nonbonded and the hydrogen bond energies between Na+ and water (i.e., −356.41 and −363.77 kcal/mol) were higher when compared with Cs+ (i.e., −212.43 and −221.04 kcal/mol). The spatial distribution functions further confirmed that the surfaces of Na+ were very closely distributed around the active sides of water whereas for Cs+, it was distributed very far from the water molecules. In the penultimate section, the effect of methanol to the aqueous phase was studied so as to enhance the extraction efficiency of the complex.
Comprehensive mutagenesis on yeast cytosine deaminase yields improvements in 5‐fluorocytosine toxicity in HT1080 cells
Authors: Warren Tiana D. , Patel Krishna , Rivera Jordan L. , Eshleman James R. , Ostermeier Marc 
Published: June 2019

AbstractImproved prodrug‐activating enzymes have the potential to increase the therapeutic efficacy of gene‐directed enzyme prodrug therapy (GDEPT). Yeast cytosine deaminase (yCD) is commonly used to convert the prodrug 5‐fluorocytosine (5‐FC) to the chemotherapeutic 5‐fluorouracil for GDEPT. Mutagenesis studies on yCD aimed at improving its application in GDEPT have been limited to subsets of residues or have sought to improve a single property of the enzyme. We performed comprehensive site‐saturation mutagenesis (CSM) on yCD designed to create all 2,983 possible unique protein mutants with a single amino acid substitution. We identified active variants through Escherichia coli genetic complementation and screened these mutants, and combinations thereof, for increased ability to sensitize E. coli and HT1080 fibrosarcoma cells to 5‐FC. Several mutants identified in this study showed increased sensitization ability for both E. coli and HT1080 cells indicating that CSM is an effective directed evolution tool for identifying unexpectedly beneficial mutations.
Target engagement in an alzheimer trial: Crenezumab lowers amyloid β oligomers in cerebrospinal fluid
Authors: Yang Ting , Dang Yifan , Ostaszewski Beth , Mengel David , Steffen Verena , Rabe Christina , Bittner Tobias , Walsh Dominic M. , Selkoe Dennis J. 
Published: June 2019

ObjectiveOligomeric forms of amyloid β protein (oAβ) are believed to be principally responsible for neurotoxicity in Alzheimer disease (AD), but it is not known whether anti‐Aβ antibodies are capable of lowering oAβ levels in humans.MethodsWe developed an ultrasensitive immunoassay and used it to measure oAβ in cerebrospinal fluid (CSF) from 104 AD subjects participating in the ABBY and BLAZE phase 2 trials of the anti‐Aβ antibody crenezumab. Patients received subcutaneous (SC) crenezumab (300mg) or placebo every 2 weeks, or intravenous (IV) crenezumab (15mg/kg) or placebo every 4 weeks for 68 weeks. Ninety‐eight of the 104 patients had measurable baseline oAβ levels, and these were compared to levels at week 69 in placebo (n = 28), SC (n = 35), and IV (n = 35) treated patients.ResultsAmong those receiving crenezumab, 89% of SC and 86% of IV patients had lower levels of oAβ at week 69 versus baseline. The difference in the proportion of patients with decreasing levels was significant for both treatment arms: p = 0.0035 for SC and p = 0.01 for IV crenezumab versus placebo. The median percentage change was −48% in the SC arm and −43% in the IV arm. No systematic change was observed in the placebo group, with a median change of −13% and equivalent portions with negative and positive change.InterpretationCrenezumab lowered CSF oAβ levels in the large majority of treated patients tested. These results support engagement of the principal pathobiological target in AD and identify CSF oAβ as a novel pharmacodynamic biomarker for use in trials of anti‐Aβ agents. ANN NEUROL 2019;86:215–224
Enzymatic Production of Diacylglycerols from High‐Acid Soybean Oil
Authors: Zhong Nanjing , Kou Maomao , Zhao Fenghuan , Yang Kunpeng , Lin Shaoyan 
Published: June 2019

AbstractIn this study, high‐acid soybean oil, with acid values (Av) ranging from 10 to 50, was enzymatically deacidified for diacylglycerol (DAG) production. The effects of glycerol amounts were studied intensively. The glycerol amount could be calculated theoretically based on the Av of the raw oil (1 mol glycerol with 2 mol oleic acid to form 1 mol DAG, and 1 mol glycerol with 2 mol soybean oil to form 3 mol DAG). A total of 60–62% of DAG could be obtained and the free fatty acid (FFA) content was reduced to 0.36–0.66%. Increased glycerol did not lead to DAG content improvement. However, the glycerol amount based on just the deacidification theoretical calculation (1 mol glycerol with 2 mol oleic acid to form 1 mol DAG) was not feasible to reduce the FFA content. Moreover, Novozym 435 was rather stable in the present reaction procedure, no loss of activity was observed after 10 consecutive uses.
Structures and Dynamics of Secondary and Tertiary Alkylphosphine Oxides Adsorbed on Silica
Authors: Kharel Sugam , Cluff Kyle J. , Bhuvanesh Nattamai , Gladysz John A. , Blümel Janet 
Published: June 2019

AbstractThe three secondary phosphine oxides [CH2=CH(CH2)4]2HPO (1), [CH2=CH(CH2)5]2HPO (2), and [CH2=CH(CH2)6]2HPO (3), and two diphosphine dioxides, {[CH2=CH(CH2)6]2PO(CH2)7}2(4) and {[CH2=CH(CH2)6]2PO(CH2)4}2(5), incorporating long methylene chains, are described. The single crystal X‐ray structures of1,2, and5have been determined. The phosphine oxides3,4, and5have been adsorbed on silica in submonolayer quantities to give3 a–5 a. The1H,13C, and31P solid‐state NMR spectra of polycrystalline3–5have been analyzed and compared with those of3 a–5 a. The changes of the solid‐state NMR characteristics upon adsorption and the surface mobilities of the phosphine oxides are discussed.
Accurate and cost‐effective prediction of HBsAg titer in industrial scale fermentation process of recombinant Pichia pastoris by using neural network based soft sensor
Authors: Hosseini Seyed Nezamedin , Javidanbardan Amin , Khatami Maryam 
Published: June 2019

AbstractIn the current work, the attempt was made to apply best‐fitted artificial neural network (ANN) architecture and the respective training process for predicting final titer of hepatitis B surface antigen (HBsAg), produced intracellularly by recombinant Pichia pastoris Mut+ in the commercial scale. For this purpose, in large‐scale fed‐batch fermentation, using methanol for HBsAg induction and cell growth, three parameters of average specific growth rate, biomass yield, and dry biomass concentration—in the definite integral form with respect to fermentation time—were selected as input vectors; the final concentration of HBsAg was selected for the ANN output. Used dataset consists of 38 runs from previous batches; feed‐forward ANN 3:5:1 with training algorithm of backpropagation based on a Bayesian regularization was trained and tested with a high degree of accuracy. Implementing the verified ANN for predicting the HBsAg titer of the five new fermentation runs, excluded from the dataset, in the full‐scale production, the coefficient of regression and root‐mean‐square error were found to be 0.969299 and 2.716774, respectively. These results suggest that this verified soft sensor could be an excellent alternative for the current relatively expensive and time‐intensive analytical techniques such as enzyme‐linked immunosorbent assay in the biopharmaceutical industry.
A Case Study on the Keap1 Interaction with Peptide Sequence Epitopes Selected by the Peptidomic mRNA Display
Authors: Hirose Hisaaki , Hideshima Tomoki , Katoh Takayuki , Suga Hiroaki 
Published: June 2019

AbstractMany protein–protein and peptide–protein interactions (PPIs) play key roles in the regulation of biological functions, and therefore, the modulation of PPIs has become an attractive target of new drug development. Although a number of PPIs have already been identified, over 100 000 unknown PPIs are predicted to exist. To uncover such unknown PPIs, it is important to devise a conceptually distinct method from that of currently available methods. Herein, an mRNA display by using a total RNA library derived from various human tissues, which serves as a unique method to physically isolate peptide epitopes that potentially bind to a target protein of interest, is reported. In this study, selection was performed against Kelch‐like ECH‐associated protein (Keap1) as a model target protein, leading to a peptide epitope originating from astrotactin‐1 (ASTN1). It turned out that this ASTN1 peptide was able to interact with Keap1 more strongly than that with a known peptide derived from Nrf2; a well‐known, naturally occurring Keap1 binder. This case study demonstrates the applicability of peptidomic mRNA display for the rapid exploration of consensus binding peptide motifs and the potential for the discovery of unknown PPIs with other proteins of interest.
Multivalent Ligands with Tailor‐Made Anion Binding Motif as Stabilizers of Protein–Protein Interactions
Authors: Bartsch Lina , Bartel Maria , Gigante Alba , Iglesias‐Fernández Javier , Ruiz‐Blanco Yasser B. , Beuck Christine , Briels Jeroen , Toetsch Niklas , Bayer Peter , Sanchez‐Garcia Elsa , Ottmann Christian , Schmuck Carsten 
Published: June 2019

AbstractModulation of protein–protein interactions (PPIs) is essential for understanding and tuning biologically relevant processes. Although inhibitors for PPIs are widely used, the field still lacks the targeted design of stabilizers. Here, we report unnatural stabilizers based on the combination of multivalency effects and the artificial building block guanidiniocarbonylpyrrol (GCP), an arginine mimetic. Unlike other GCP‐based ligands that modulate PPIs in different protein targets, only a tetrameric design shows potent activity as stabilizer of the 14‐3‐3ζ/C‐Raf and 14‐3‐3ζ/Tau complexes in the low‐micromolar range. This evidences the role of multivalency for achieving higher specificity in the modulation of PPIs.
Usefulness of the trans‐stent fractional flow reserve gradient for predicting clinical outcomes
Authors: Yang Hyoung‐Mo , Lim Hong‐Seok , Yoon Myeong‐Ho , Seo Kyoung‐Woo , Choi Byoung‐Joo , Choi So‐Yeon , Hwang Gyo‐Seung , Tahk Seung‐Jea 
Published: June 2019

AbstractObjectivesWe evaluated the usefulness of a fractional flow reserve (FFR) gradient across the stent (ΔFFRstent) for long‐term clinical outcomes after percutaneous coronary intervention (PCI) with a drug‐eluting stent (DES).BackgroundThe clinical meaning of a trans‐stent pressure gradient after DES implantation has not been estimated adequately.MethodsFFR pull‐back and intravascular ultrasound (IVUS) were performed after successful PCI in 135 left anterior descending artery lesions. ΔFFRstent was defined as the FFR gradient across the stent. The ΔFFRstent/length was defined as the ΔFFRstent value divided by the total stent length multiplied by 10. Major adverse cardiac events (MACEs) were the composite of all‐cause death, target vessel‐related myocardial infarction, and target lesion revascularization.ResultsDespite successful PCI, ΔFFRstent > 0 was observed in 98.5% of cases. ΔFFRstent ≥ 0.04 and ΔFFRstent/length ≥ 0.009 predicted suboptimal stenting defined as final minimal stent area < 5.5 mm2. During 2,183 ± 898 days, the MACE‐free survival rate was significantly lower in patients with ΔFFRstent ≥ 0.04 and ΔFFRstent/length ≥ 0.009 compared to those with lower values (69.6 vs. 93.4%, log‐rank p = .031; 72.1 vs. 97.7%, log‐rank p = .003, respectively). ΔFFRstent/length ≥ 0.009 (hazard ratio 10.1, p = .032) was an independent predictor of MACE.ConclusionA trans‐stent FFR gradient was frequently observed. ΔFFRstent and ΔFFRstent/length are related to long‐term outcomes in DES‐treated patients.
Rhinocerebral mucormycosis with dissemination to pontine area in a diabetic patient: Treatment and management
Authors: Galletti Bruno , Gazia Francesco , Galletti Cosimo , Perani Fulvio , Ciodaro Francesco , Freni Francesco , Galletti Francesco 
Published: June 2019

AbstractRhinocerebral mucormycosis is a rapidly life‐threatening disease caused by a fungal infection. Every diabetic patient with sinusitis symptoms, headache, and visual changes needs radiological approach and nasal endoscopy to rule out mucormycosis. The mortality rate is 50%‐85%, despite an early diagnosis and a correct treatment.
Efficient Synthesis of Bimetallic Pt3Zn Alloy Nanocrystals with Different Shapes and their Enhanced Electrocatalytic Activity
Authors: Zhang Xinran , Ossufo Iahaia Gomes Ali , Ye Huanyu , Huang Yunxia , Ge Shuaipeng , Xiang Zhongcheng , Cui Yimin , Wang Rongming 
Published: June 2019

AbstractHighly uniform dispersed bimetallic Pt3Zn alloy nanocrystals (NCs) with unique geometries are obtained via a facile one‐pot synthesis process by regulating different reductants. To investigate the morphology and composition of the prepared catalysts, the transmission electron microscopy, X‐ray diffraction and X‐ray photoelectron spectroscopy are utilized. Electrochemical measurements reveal that the Pt3Zn NCs significantly exhibited larger electrochemically active surface areas and excellent catalytic activity towards electro‐oxidation of methanol and ethanol in comparison to the commercial Pt/C. The optimized Pt3Zn (AA) NCs exhibit excellent mass activities in both methanol oxidation reaction (1251.4 mA mgPt−1) and ethanol oxidation reaction (975.7 mA mgPt−1) in acidic media, which are respectively 4.28 times and 3.02 times higher than those of commercial Pt/C. Moreover, the Pt3Zn NCs show a higher stability and better resistance to the COads poisoning. The activity enhancements are attributed to electronic effects and a bifunctional mechanism.
Synthesis of Alkynylthiopyridinium Salts and Their Use as Thioketene Equivalents
Authors: Averesch Kai F. G. , Pesch Henner , Golz Christopher , Alcarazo Manuel 
Published: June 2019

AbstractA synthetic method has been developed for the preparation of dihalo(pyridinium)sulfuranes and their transformation into alkynylthiopyridinium salts, starting from inexpensive thiopyridones. The reactivity of these salts towards different nucleophiles is evaluated. Most thiols and amines are converted into dithioesters and thioamides, respectively; whereas sterically demanding thiols delivered alkynylthioethers. These results, together with preliminary mechanistic studies reveal that alkynylthiopyridinium salts can be considered synthetic equivalents of unstable thioketenes.
High‐Performance Organic Dyes with Electron‐Deficient Quinoxalinoid Heterocycles for Dye‐Sensitized Solar Cells under One Sun and Indoor Light
Authors: Jiang Man Ling , Wen Jun‐Jie , Chen Zi‐Ming , Tsai Wen‐Hsuan , Lin Tzu‐Chau , Chow Tahsin J. , Chang Yuan Jay 
Published: June 2019

AbstractA series of Y‐shaped sensitizers incorporating quinoxaline or quinoxalinoid moieties were prepared and applied in dye‐sensitized solar cells (DSSCs). By the introduction of quinoxalinoid functionalities, the absorption extinction coefficients could be enhanced. The molecular structures were modified by introducing an extra acceptor group (A) between a donor (D) and a π‐bridge (D–A–π–A) and also by incorporating electron‐donating substituents at various positions of the quinoxalinoid moiety. Some of the dyes and mixtures thereof were found to exhibit good light‐harvesting efficiencies under both sunlight and indoor light, with efficiencies up to 7.92 % under one sun (AM 1.5G). When operated under indoor light, the efficiency could be boosted to 27.76, 28.74, and 30.45 % under 600, 1000, 2500 lux illumination, respectively. The best performance could be ascribed partly to an improved dye coverage on the TiO2 surface.
Morphology‐Controlled Synthesis of H‐type MFI Zeolites with Unique Stacked Structures through a One‐Pot Solvent‐Free Strategy
Authors: Wu Dan , Yu Xing , Chen Xinqing , Yu Gan , Zhang Kun , Qiu Minghuang , Xue Wenjie , Yang Chengguang , Liu Ziyu , Sun Yuhan 
Published: June 2019

AbstractH‐type aluminosilicate zeolites are extensively used as solid‐acid catalysts and support materials in industrial catalysis. However, the conventional synthesis methods involving hydrothermal syntheses and ion‐exchange processes suffer from severe water pollution and toxic gas emissions. Herein, H‐type MFI zeolite catalysts with a unique stacked structure were directly synthesized in the presence of NH4F and with the help of zeolite confinement through a solvent‐free route without further ion‐exchange procedures. A range of ex situ and in situ characterization procedures were used to provide evidence of the simultaneous use of pre‐made ZSM‐5 and NH4F as a confined Al source and mineralizer, respectively. The confined zeolite framework of ZSM‐5 prevented the formation of AlFx species between NH4F and Al atoms, ensuring that the prepared samples had desirable acidic properties. Moreover, the resulting morphology could be controlled by using different silica substrates. The obtained H‐type MFI zeolites showed excellent catalytic performance in methanol‐to‐gasoline reactions owing to their unique structure and directly exposed acidic sites. The developed one‐pot strategy provides an alternative method for the facile synthesis of H‐type zeolites with defined morphology.
X‐ray Nano‐computed Tomography of Electrochemical Conversion in Lithium‐ion Battery
Authors: Di Lecce Daniele , Levchenko Stanislav , Iacoviello Francesco , Brett Dan J. L. , Shearing Paul R. , Hassoun Jusef 
Published: June 2019

AbstractHerein, a nanometric CuO anode for lithium‐ion batteries was investigated by combining electrochemical measurements and ex situ X‐ray computed tomography (CT) at the nanoscale. The electrode reacted by conversion at about 1.2 and 2.4 V versus Li+/Li during discharge and charge, respectively, to deliver a capacity ranging from 500 mAh g−1 to over 600 mAh g−1. Three‐dimensional nano‐CT imaging revealed substantial reorganization of the CuO particles and precipitation of a Li+‐conducting film suitable for a possible application in the battery. A lithium‐ion cell, exploiting the high capacity of the conversion process, was assembled by using a high‐performance LiNi0.33Co0.33Mn0.33O2 cathode reacting at 3.9 V versus Li+/Li. The cell was proposed as an energy‐storage system with an average working voltage of about 2.5 V, specific capacity of 170 mAh gcathode−1, and efficiency exceeding 99 % with a very stable cycling.
Multiple tuberous and tendinous xanthomas diagnosed on fine‐needle aspiration cytology—report of a rare case
Authors: Tummidi Santosh , Kothari Kanchan , Rojekar Amey , Tiwari Ashish 
Published: June 2019

AbstractXanthomas are papulonodular skin lesions present in lipoprotein metabolism disorders, which result in cholesterol deposits in subcutaneous tissue, tendons, ligaments, periosteum, etc. A 11‐year‐old male presented with multiple soft tissue swellings, prominently over joints. Fine‐needle aspiration (FNA) from multiple sites had similar appearance with foamy histocytes and giant cells. Oil Red O and polarized microscopy were also positive for fat. We describe an unusual case of tendinous and tuberous xanthoma diagnosed by cytology. Acquaintance with fine‐needle aspiration cytology findings in xanthomas can help to avoid the need of surgical biopsy, as xanthomas can regress on medical therapy alone.