bluuebunny/crossref_metadata_2025_split huggingface dataset:
Efficacy of drug‐coated balloon angioplasty after directional coronary atherectomy for coronary bifurcation lesions (DCA/DCB registry)
Authors: Kitani Shunsuke , Igarashi Yasumi , Tsuchikane Etsuo , Nakamura Shigeru , Seino Yoshitane , Habara Maoto , Takeda Yoshihiro , Shimoji Kenichiro , Yasaka Yoshinori , Kijima Mikihiro 
Published: August 2020

AbstractObjectivesTo evaluate the efficacy and safety of additional drug‐coated balloon (DCB) angioplasty after directional coronary atherectomy (DCA) for coronary bifurcation lesions.BackgroundThe optimal therapy for bifurcation lesions has not been established, even in the drug‐eluting stent era. DCA possibly prevents plaque and carina shift in bifurcation lesions by plaque debulking; however, the efficacy of combined DCA and DCB (DCA/DCB) for bifurcation lesions remains unclear.MethodsThis multicenter registry retrospectively recruited patients with bifurcation lesions who underwent DCA/DCB and follow‐up angiogram at 6–15 months. The primary endpoint was the 12‐month target vessel failure (TVF) rate. The secondary endpoints were procedure‐related major complications, major cardiovascular events at 12 months, restenosis at 12 months, target lesion revascularization (TLR) at 12 months, and target vessel revascularization (TVR) at 12 months.ResultsWe enrolled 129 patients from 16 Japanese centers. One hundred and four lesions (80.6%) were located around the left main trunk bifurcations. No side branch compromise was found intraoperatively. Restenosis was observed in three patients (2.3%) at 12 months. TLR occurred in four patients (3.1%): 3 (2.3%) in the main vessel and 1 (0.8%) in the ostium of the side branch at 12 months. TVF incidence at 12 months was slightly higher in 14 patients (10.9%), and only two patients (1.6%) had symptomatic TVR. One patient (0.8%) had non‐target vessel‐related myocardial infarction.ConclusionsOur data suggested that DCA/DCB provided good clinical outcomes and minimal side branch damage and could be an optimal non‐stent percutaneous coronary intervention strategy for bifurcation lesions.
Oral findings and craniofacial morphology in a patient with Schwartz‐Jampel syndrome and severe obstructive sleep apnea: A case report
Authors: Pibulniyom Mevadee , Pungchanchaikul Patimaporn , Assawakawintip Thanate , Peanchitlertkajorn Supakit 
Published: August 2020

AbstractWe reported dental and craniofacial characteristics of an SJS patient with severe OSA. Not only does the syndrome cause skeletal abnormalities and myotonia, but it also affects the craniofacial development resulting in a severe constriction of maxillary arch and bimaxillary retrognathia which may increase a risk to develop pediatric OSA.
Recent Advances in Heterogeneous Catalysis for Ammonia Synthesis
Authors: Marakatti Vijaykumar S. , Gaigneaux Eric M. 
Published: August 2020

AbstractEven after a century, ammonia (NH3) synthesis from nitrogen and hydrogen through Haber‐Bosch process is still energy intensive. Even with recently introduced second generation Ru based catalysts with superior performance over commercial Fe based catalysts, there is still place for upgrading with new approach using advanced materials in catalyst formulation. The alkali and alkaline metal promoted Ru supported carbon and metal oxide catalyst attracted attention at initial stage and extensively studied for NH3 synthesis in the 20th century. Until recently, advanced materials such as electrides, hydrides, nitrides, oxides and oxy‐hydrides‐nitrides studied as support and active component of catalyst fascinated much attention, with milder reaction conditions for NH3 synthesis. These materials with unique properties of reversible storage of electrons, hydrides, nitrides and oxygen vacancies enrich electron density on Ru catalyst and cleave N≡N bond with very low activation energy (<60 kJ/mol). The mechanistic understanding of these materials leads to the fact that activation N≡N bond is no more rate‐determining step (RDS). Instead, formation of N−H bond is RDS, pushing towards an innovative research directions and scientific basis for development of new catalysts. Enormous maturation of experimental and theoretical methods with improved precession over worldwide research effort helped in gaining a fundamental understanding of these materials in NH3 synthesis. The most of Ru supported on these advanced materials were better in performance compared to benchmark Cs−Ru/MgO and Ru/AC catalysts in NH3 synthesis. Insights on these materials and their mechanism are covered in this review, which digs towards finding a realistic catalyst for NH3 synthesis.
2D PbS Nanosheets with Zigzag Edges for Efficient CO2 Photoconversion
Authors: Zhu Zezhou , Qu Yunteng , Wang Zhiyuan , Zhou Fangyao , Zhao Changming , Lin Yue , Li Liqiang , Yao Yagang , Wu Yuen 
Published: August 2020

AbstractThe rational design of transition‐metal sulfide with two‐dimensional (2D) structure and tunable edges on the nanoscale can effectively improve their activity for variously catalytic reactions. Herein, the 2D PbS nanosheets with abundant zigzag edges (e‐PbS NS), which exhibited an excellent performance for CO2 photoconversion to CO, were constructed. The zigzag edges on the PbS NS are beneficial for exposing more active sites and promoting charge separation, thereby accelerating the kinetics process of CO2 photoreduction. This study provides a strategy to regulate structure with effective edge sites for the CO2 reduction.
Suzuki Cross‐Coupling Reaction with Genetically Encoded Fluorosulfates for Fluorogenic Protein Labeling
Authors: Zhao Qian , Guo Guoying , Zhu Weiwei , Zhu Liping , Da Yifan , Han Ying , Xu Hongjiao , Wu Shuohan , Cheng Yaping , Zhou Yani , Cai Xiaoqing , Jiang Xianxing 
Published: August 2020

AbstractA palladium‐catalyzed cross‐coupling reaction with aryl halide functionalities has recently emerged as a valuable tool for protein modification. Herein, a new fluorogenic modification methodology for proteins, with genetically encoded fluorosulfate‐l‐tyrosine, which exhibits high efficiency and biocompatibility in bacterial cells as well as in aqueous medium, is described. Furthermore, the cross‐coupling of 4‐cyanophenylboronic acid on green fluorescent protein was shown to possess a unique fluorogenic property, which could open up the possibility of a responsive “off/on” switch with great potential to enable spectroscopic imaging of proteins with minimal background noise. Taken together, a convenient and efficient catalytic system has been developed that may provide broad utilities in protein visualization and live‐cell imaging.
Heavy‐Atom Tunneling in Semibullvalenes: How Driving Force, Substituents, and Environment Influence the Tunneling Rates
Authors: Schleif Tim , Tatchen Jörg , Rowen Julien F. , Beyer Frederike , Sanchez‐Garcia Elsa , Sander Wolfram 
Published: August 2020

AbstractInvited for the cover of this issue are the groups of Elsa Sanchez‐Garcia and Wolfram Sander at the Universität Duisburg‐Essen and the Ruhr‐Universität Bochum. The image depicts the ideas skillfully visualized by Markus Henkel on the shift in equilibrium induced by isotopic labelling. Read the full text of the article at 10.1002/chem.202001202.
Total Synthesis of Dictyodendrins A–F by the Gold‐Catalyzed Cascade Cyclization of Conjugated Diyne with Pyrrole
Authors: Matsuoka Junpei , Inuki Shinsuke , Matsuda Yuka , Miyamoto Yoichi , Otani Mayumi , Oka Masahiro , Oishi Shinya , Ohno Hiroaki 
Published: August 2020

AbstractInvited for the cover of this issue is Hiroaki Ohno and co‐workers at Kyoto University and National Institutes of Biomedical Innovation, Health and Nutrition (NIBIOHN). The image depicts gold catalysis which promotes the domino reaction to push the switch for the diversity‐directed total synthesis. Read the full text of the article at 10.1002/chem.202001950.
C(1)‐Phenethyl Derivatives of [closo‐1‐CB11H12]− and [closo‐1‐CB9H10]− Anions: Difunctional Building Blocks for Molecular Materials
Authors: Jakubowski Rafał , Pietrzak Anna , Friedli Andrienne C. , Kaszyński Piotr 
Published: August 2020

AbstractC(1)‐vinylation of [closo‐1‐CB9H10]− (A) and [closo‐1‐CB11H12]− (B) with 4‐benzyloxystyryl iodide followed by hydrogenation of the double bond and reductive deprotection of the phenol functionality led to C(1)‐(4‐hydroxyphenethyl) derivatives. The phenol functionality was protected as the acetate. The esters were then treated with PhI(OAc)2 and the resulting isomers were separated kinetically (for derivatives of anion A) or by chromatography (for derivatives of anion B) giving the difunctionalized building blocks in overall yields of 9 % and 50 %, respectively. A similar series of reactions was performed starting with anions A and B and 4‐methoxystyryl bromide and iodide. Significant differences in the reactivity of derivatives of the two carborane anions were rationalized with DFT computational results. Application of the difunctionalized carboranes as building blocks was demonstrated through preparation of two ionic liquid crystals. The extensive synthetic work is accompanied by single crystal XRD analysis of six derivatives.
Non‐Coordinated Phenolate Anions and Their Application in SF6 Activation
Authors: Weitkamp Robin F. , Neumann Beate , Stammler Hans‐Georg , Hoge Berthold 
Published: August 2020

AbstractThe reaction of the strong monophosphazene base with the weakly acidic phenol leads to the formation of a phenol–phenolate anion with a moderately strong hydrogen bond. Application of the more powerful tetraphosphazene base (Schwesinger base) renders the isolation of the corresponding salt with a free phenolate anion possible. This compound represents the first species featuring the free phenolate anion [H5C6‐O]−. The deprotonation of phenol derivatives with tetraphosphazene bases represents a great way for the clean preparation of salts featuring free phenolate anions and in addition allows the selective syntheses of hydrogen bonded phenol‐phenolate salts. This work presents a phosphazenium phenolate salt with a redox potential of −0.72 V and its capability for the selective activation of the chemically inert greenhouse gas SF6. The performed two‐electron reduction of SF6 leads to phosphazenium pentafluorosulfanide ([SF5]−) and fluoride salts.
Life Cycle Assessment of Steel Mill Gas‐Based Methanol Production within the Carbon2Chem® Project
Authors: Thonemann Nils , Maga Daniel 
Published: August 2020

AbstractWithin the Carbon2Chem® project, new processes have been developed to valorize steel mill gases by producing methanol. This article compares the global warming impact of integrated steel and methanol production to the stand‐alone production of steel and methanol. In order to generate mass and energy balances of the cross‐industrial network, several simulation approaches were conducted, and two power sources investigated. In the case of a power mix in 2030, the conventional production of steel and methanol is favorable, and in the case of wind power, the integrated production of steel and methanol shows greater benefit. If an electricity mix with a carbon intensity of less than 0.23 kgCO2‐eq.kWh−1 electricity is used, the integrated production of steel and methanol has a lower global warming impact than stand‐alone steel and methanol production.
Combination of Refractometry and Densimetry – A Promising Option for Fast Raw Methanol Analysis
Authors: Martens Marla , Hadrich Max J. , Nestler Florian , Ouda Mohamed , Schaadt Achim 
Published: August 2020

AbstractBesides water, raw methanol produced from steel mill gases within the Carbon2Chem® project contains dissolved carbon dioxide. Refractometry and densimetry were investigated as analysis methods to analyze raw methanol samples quickly and reliably. To verify existing calibration curves, a set of standard solutions from pure chemicals was produced. Experimental results differed significantly from published refractive index data, especially in the range of high methanol weight fractions, which are of particular interest for the Carbon2Chem® project.
Druggability Assessment for Selected Serine Proteases in a Pharmaceutical Industry Setting
Authors: Wehrhan Leon , Hillisch Alexander , Mundt Stefan , Tersteegen Adrian , Meier Katharina 
Published: August 2020

AbstractTarget druggability assessment is an integral part of the early target characterization and selection process in pharmaceutical industry. Here, we investigate a set of five different serine proteases from the blood coagulation cascade. The aim of this study is twofold. Firstly, leveraging the wealth of available in‐house high‐throughput screening (HTS) data, we analyze HTS hit rates and discuss their predictive value for the development of small molecule (SMOL) candidates. Purely structure‐activity relationship (SAR) based druggability ratings are compared with computational protein‐structure based druggability assessments. Secondly, we evaluate the impact of using conformational ensembles from molecular dynamics (MD) simulations instead of single static crystal structures as basis for computational druggability assessments. Based on this study, we recommend incorporating molecular dynamics routinely into the early target characterization process, especially if only a single X‐ray structure is available.
Exploiting historical data: Pruning autotuning spaces and estimating the number of tuning steps
Authors: Oľha Jaroslav , Hozzová Jana , Fousek Jan , Filipovič Jiří 
Published: August 2020

SummaryAutotuning, the practice of automatic tuning of applications to provide performance portability, has received increased attention in the research community, especially in high performance computing. Ensuring high performance on a variety of hardware usually means modifications to the code, often via different values of a selected set of parameters, such as tiling size, loop unrolling factor, or data layout. However, the search space of all possible combinations of these parameters can be large, which can result in cases where the benefits of autotuning are outweighed by its cost, especially with dynamic tuning. Therefore, estimating the tuning time in advance or shortening the tuning time is very important in dynamic tuning applications. We have found that certain properties of tuning spaces do not vary much when hardware is changed. In this article, we demonstrate that it is possible to use historical data to reliably predict the number of tuning steps that is necessary to find a well‐performing configuration and to reduce the size of the tuning space. We evaluate our hypotheses on a number of HPC benchmarks written in CUDA and OpenCL, using several different generations of GPUs and CPUs.
Photoswitching Molecular Junctions: Platforms and Electrical Properties
Authors: Kim Youngsang 
Published: August 2020

AbstractRemarkable advances in technology have enabled the manipulation of individual molecules and the creation of molecular electronic devices utilizing single and ensemble molecules. Maturing the field of molecular electronics has led to the development of functional molecular devices, especially photoswitching or photochromic molecular junctions, which switch electronic properties under external light irradiation. This review introduces and summarizes the platforms for investigating the charge transport in single and ensemble photoswitching molecular junctions as well as the electronic properties of diverse photoswitching molecules such as diarylethene, azobenzene, dihydropyrene, and spiropyran. Furthermore, the article discusses the remaining challenges and the direction for moving forward in this area for future photoswitching molecular devices.
Development of High‐Drug‐Loading Nanoparticles
Authors: Liu Yun , Yang Guangze , Jin Song , Xu Letao , Zhao Chun‐Xia 
Published: August 2020

AbstractFormulating drugs into nanoparticles offers many attractive advantages over free drugs including improved bioavailability, minimized toxic side effects, enhanced drug delivery, feasibility of incorporating other functions such as controlled release, imaging agents for imaging, targeting delivery, and loading more than one drug for combination therapies. One of the key parameters is drug loading, which is defined as the mass ratio of drug to drug‐loaded nanoparticles. Currently, most nanoparticle systems have relatively low drug loading (<10 wt%), and developing methods to increase drug loading remains a challenge. This Minireview presents an overview of recent research on developing nanoparticles with high drug loading (>10 wt%) from the perspective of synthesis strategies, including post‐loading, co‐loading, and pre‐loading. Based on these three different strategies, various nanoparticle systems with different materials and drugs are summarized and discussed in terms of their synthesis methods, drug loadings, encapsulation efficiencies, release profiles, stabilities, and their applications in drug delivery. The advantages and disadvantages of these strategies are presented with an objective of providing useful design rules for future development of high‐drug‐loading nanoparticles.
Novel Arylazo‐1,2,5‐oxadiazole Photoswitches: Synthesis, Photoisomerization and Nitric Oxide Releasing Properties
Authors: Zhilin Egor S. , Polkovnichenko Michael S. , Ananyev Ivan V. , Fershtat Leonid L. , Makhova Nina N. 
Published: August 2020

AbstractA series of novel molecular photoswitches incorporating an aryldiazenyl moiety linked to a 1,2,5‐oxadiazole (furazan) or 1,2,5‐oxadiazole 2‐oxide (furoxan) subunit was synthesized by a simple and step‐economic chemical route. Upon visible light irradiation, (E)‐arylazo‐1,2,5‐oxadiazoles underwent photoisomerization to the corresponding (Z)‐isomers which are stable under ambient conditions. Structural factors affecting the photoswitching ability were also revealed. Synthesized photoswitches exhibited good performance due to the absence of fatigue or decomposition over at least ten cycles under air in a temperature range of 20–60 °C. NO donor properties of the synthesized arylazofuroxans were also evaluated in vitro and it was found that (Z)‐arylazofuroxans released significantly larger amounts of NO than the corresponding (E)‐isomers, which suggests strong potential of these molecular photoswitches in photopharmacology and other biomedical applications.
Rotational properties of annulus dusty plasma in a strong magnetic field
Authors: Choudhary Mangilal , Bergert Roman , Moritz Sandra , Mitic Slobodan , Thoma Markus H. 
Published: August 2020

AbstractThe collective dynamics of an annulus dusty plasma formed between a co‐centric conducting (non‐conducting) disk and ring configuration is studied in a strongly magnetized radiofrequency (rf) discharge. A superconducting electromagnet is used to introduce a homogeneous magnetic field to the dusty plasma medium. In the absence of the magnetic field, the dust grains exhibit thermal motion around their equilibrium position. The dust grains start to rotate in the anticlockwise direction with increasing magnetic field (B > 0.02 T), and the constant value of the angular frequency at various strengths of the magnetic field confirms the rigid body rotation. The angular frequency of dust grains linearly increases up to a threshold magnetic field (B > 0.6 T) and after that its value remains nearly constant in a certain range of magnetic field. Further increase in magnetic field (B > 1 T) lowers the angular frequency. Low value of the angular frequency is expected by reducing the width of the annulus dusty plasma or the input rf power. The azimuthal ion drag force due to the magnetic field is assumed to be the energy source which drives the rotational motion. The resultant radial electric field in the presence of a magnetic field determines the direction of rotation. The variation of floating (plasma) potential across the annular region at given magnetic field explains the rotational properties of the annulus dusty plasma in the presence of a magnetic field.
Zyklische Schubversuche an Wänden aus Hochlochziegelmauerwerk
Authors: Fasching Stephan , Jäger Andreas , Gams Matija 
Published: August 2020

AbstractZyklische Schubversuche sind eine gängige Methode, um die Tragfähigkeit und das Verformungsverhalten von Wänden bei dynamischen Belastungen in horizontaler Richtung, wie sie zum Beispiel bei Erdbeben auftreten, zu beurteilen. In der vorliegenden Arbeit werden zyklische Schubversuche an 36 Wänden aus verschiedenen Mauerwerksarten beschrieben, die Testergebnisse gezeigt und mit rechnerischen Widerständen laut Eurocode 6 verglichen. Nach einer Auflistung der verwendeten Baustoffe werden für alle untersuchten Wände die verwendeten Materialien und deren Abmessungen angegeben. Darauf folgt eine Beschreibung der verwendeten Versuchsaufbauten an den Instituten UTCB in Bukarest sowie ZAG in Ljubljana. Den Hauptteil bilden die Darstellung der Messwerte hinsichtlich erreichbarer Traglasten und Driftwerte sowie die Ermittlung einer bilinearen Näherung für jeden Versuch. Im Anschluss daran werden die einhüllenden Kurven der Hystereseschleifen aller Versuche gezeigt und miteinander verglichen. Abschließend wird ein Vergleich der gewonnenen Versuchsergebnisse mit rechnerischen Widerständen laut Eurocode 6 gezeigt. Mit diesen Untersuchungen konnte gezeigt werden, dass Wände aus Mauerwerk große Driftkapazitäten aufweisen und die Bemessung mit den Modellen des Eurocode 6 sehr realitätsnahe Ergebnisse liefert und bei der Bemessung von Mauerwerk aus betonverfüllten Ziegeln mit einer Verbundsteinfestigkeit – vor allem für stärker bewehrte Wände – konservativere Ergebnisse erzielt werden.
Paper spray mass spectrometry – A potential complementary technique for the detection of polar compounds in sports drug testing
Authors: Görgens Christian , Walker Katherine , Boeser Cornelia , Wijeratne Neloni , Martins Claudia , Guddat Sven , Thevis Mario 
Published: August 2020

AbstractIn this proof‐of‐concept study, paper spray mass spectrometry was investigated as a high‐throughput and fully automated technique for the initial testing of particularly polar compounds that are prohibited in sports. The technique allows the ionization of analytes from complex sample matrices such as blood and urine when spotted onto a paper strip. By minimizing sample preparation and omitting chromatographic separation, paper spray mass spectrometry benefits from considerable cost‐ and time‐savings compared with conventional high performance liquid chromatography/tandem mass spectrometry, especially in cases where conventional reversed‐phase liquid chromatography offers limited applicability. All but one of the investigated model compounds fulfilled the World Anti‐Doping Agency's (WADA's) requirements regarding the applicable minimum required performance limits for initial testing procedures. In addition, the combination of paper spray mass spectrometry and ion mobility separation results in enhanced selectivity and sensitivity and is a particularly valuable analytical configuration.