bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ruthenaelektro‐katalysierte Domino‐Drei‐Komponenten‐Alkinanellierung für nützliche Isochinolin‐Synthesen
Authors: Tan Xuefeng , Hou Xiaoyan , Rogge Torben , Ackermann Lutz 
Published: December 2020

AbstractDer elektrochemische Drei‐Komponenten‐Synthese von Isochinolinen wurde mittels Ruthenaelektro‐katalysierter C‐H/N‐H‐Funktionalisierung erreicht. Die Robustheit der Elektrokatalyse wurde durch eine große Anwendungsbreite, eine effiziente Elektrooxidation und eine anwenderfreundliche Durchführung verdeutlicht. Außerdem deuten die Isolierung von Schlüsselintermediaten und detaillierte mechanistische Untersuchungen, unter anderen durch cyclovoltammetrische Analysen eines bisher unbekannten siebengliedrigen Ruthenacyclus, auf einen ungewöhnlichen Ruthenium(II/III/I)‐Reaktionsmechanismus hin.
Dual Ratiometric SERS and Photoacoustic Core–Satellite Nanoprobe for Quantitatively Visualizing Hydrogen Peroxide in Inflammation and Cancer
Authors: Li Qingqing , Ge Xiaoguang , Ye Jiamin , Li Zhi , Su Lichao , Wu Ying , Yang Huanghao , Song Jibin 
Published: December 2020

AbstractExcessive production of oxidative species alters the normal redox balance and leads to diseases, such as chronic inflammation and cancer. Oxidative species are short‐lived species, which makes direct, precise, and real‐time measurements difficult. Herein, we report a novel core–satellite gold nanostructure for dual, ratiometric surface‐enhanced Raman scattering (SERS) and photoacoustic (PA) imaging to enable the precise detection of inflammation/cancer‐related H2O2. The combination of H2O2‐activated second near‐infrared (NIR‐II) PA imaging and SERS imaging enables the differentiation between the inflamed region and normal tissue with high accuracy. The mesoporous silica shell of the nanoprobe could be used to deliver drugs to the target area to precisely treat disease. Therefore, this core–satellite nanostructure can not only quantitatively and precisely monitor H2O2 produced in inflammation, tumor, and osteoarthritis in rabbits in real‐time, but can also be used to track the progress of the anti‐inflammatory treatment in real‐time.
Four Mechanistic Mysteries: The Benefits of Writing a Critical Review
Authors: Nugent William A. , RajanBabu T. V. 
Published: December 2020

AbstractWhile writing a comprehensive review on the reactions of epoxides with titanium(III) reagents, we encountered a series of mechanistic puzzles. Using clues from the literature, many of which were not available at the time that the mysteries emerged, it was possible to demystify a number of these conundrums. We discuss four examples, which we believe will significantly change the way in which titanium(III) chemistry is practiced. Our experience underscores the importance of comprehensive and critical reviews in chemistry and the truism that the authors are prime beneficiaries of the review process.
Side chain functional carbazole‐fluorene electroactive polymers: Optical, electrochemical properties, antimicrobial activity and thin film morphologies
Authors: Meriç Çağla , Kanbur Savas , Baycan Fatma 
Published: December 2020

AbstractA new electroactive polymer based on fluorene and carbazole moieties with double bond side chain (MP25) was synthesized and then double bond at the side chain was functionalized with COOH and Si(OEt)3 as ITO/glass compatible groups. Electrochemical and optical properties of the polymers were elucidated with cyclic voltammetry (CV), ultraviolet–visible absorption (UV–Vis), and photoluminescence (PL) spectroscopy. It was observed that all polymers absorbed only the UV region and emitted blue light. By using CV, HOMO values were found as approximately 5.45 eV. According to AFM results, when the rough MP25 polymer thin film was modified with ITO/glass compatible groups, more uniform and smoother polymer thin films were obtained. Thermogravimetry analyses (TGA) shown that the MP25‐Si and MP25‐COOH were stable against thermo‐oxidative decomposition. The weight loss of MP‐25‐Si was found to be only %23 at 700°C. Additionally, antimicrobial activity of MP25 polymers was also investigated. According to test results, all polymers were found to have antimicrobial activity against C.albicans.
Differential reinforcement to decrease stereotypy exhibited by an adult with autism spectrum disorder
Authors: Butler Courtney , Kobylarz Ashley , Zaki‐Scarpa Christeen , LaRue Robert H. , Manente Christopher , Kahng SungWoo 
Published: December 2020

AbstractMotor and vocal stereotypies are behaviors commonly exhibited by individuals with autism spectrum disorder (ASD). Stereotypy may impede and interfere with learning new skills and decrease work performance in employment settings. Previous research has evaluated effective interventions for stereotypy; however, they have typically focused on treating stereotypy exhibited by children in structured settings. We evaluated the practicality of implementing a simple differential reinforcement of other behavior procedure with an adult with ASD in multiple, naturalistic environments. Results showed rapid decreases in motor and vocal stereotypies upon implementation of the intervention and maintenance of low levels of behavior. These data highlighted the successful treatment of stereotypy exhibited by an adult with a long history of exhibiting these behaviors. Treatment effects were replicated across multiple, naturalistic environments.
Indirect regulation of temperature in raceway reactors by optimal management of culture depth
Authors: Rodríguez‐Miranda E. , Guzmán J. L. , Acién F. G. , Berenguel M. , Visioli A. 
Published: December 2020

AbstractTemperature and irradiance are the two most relevant factors determining the performance of microalgae cultures in open raceway reactors. Moreover, inadequate temperature strongly reduces the biomass productivity in these systems even if enough sunlight is available. Controlling the temperature in large open raceway reactors is considered unaffordable because of the large amount of energy required. This study presents an indirect method for temperature regulation in microalgae raceway reactors by optimizing the culture depth. First, the effect of the culture depth on the raceway temperature is analyzed for different seasons of the year. Afterward, a simulation study is presented where the proposed control approach is compared to the normal operation mode with constant volume in the reactor. This study is also extended to industrial scale. Relevant improvements on the temperature factor and biomass production are presented. The developed knowledge allows the improvement of the performance in open raceway reactors up to 12% without involving additional energy and costs, being a suitable solution for large industrial reactors that until now have no options for controlling the temperature.
Ventricular fibrillation and Takotsubo cardiomyopathy triggered by media panic on COVID‐19: A case report
Authors: Habedank Dirk , Thieme Roland , Bublak Angelika , Heinemann Felix , Spencker Sebastian , Atmowihardjo Iskandar 
Published: December 2020

AbstractTakotsubo cardiomyopathy has potentially lethal complications and can be caused by a media‐induced diffuse atmosphere of life threatening and panic in preconditioned patients.
In CH3NH3PbI3 Perovskite Film, the Surface Termination Layer Dominates the Moisture Degradation Pathway
Authors: Lu Yue , Si Zhixiang , Liu Hongpeng , Ge Yang , Hu Jingcong , Zhang Zeyu , Mu Xulin , Selvakumar Karuppaiah , Sui Manling 
Published: December 2020

AbstractTheoretical studies have shown that surface terminations, such as MAI or PbI layers, greatly affect the environmental stability of organic–inorganic perovskite. However, until now, there has been little effort to experimentally detect the existence of MAI or PbI terminations on MAPbI3 grains, let alone disclose their effects on the humidity degradation pathway of perovskite solar cell. Here, we successfully modified and detected the surface terminations of MAI and PbI species on polycrystalline MAPbI3 films. MAI‐terminated perovskite film followed the moisture degradation process from MAPbI3 to hydrate MAPbI3⋅H2O and then into PbI2, with penetration of water molecules being the main driving force leading to the degradation of MAPbI3 layer by layer. In contrast, for the PbI‐terminated perovskite film in a humid atmosphere, a deprotonation degradation pathway was confirmed, in which the film preferentially degraded directly from MAPbI3 into PbI2, here the iodine defects played a key role in promoting the dissociation of water molecules into OH− and further catalyzing the decomposition of perovskite.
Mechanistic Investigation on Chemiluminescent Formaldehyde Probes
Authors: Pi Shuangqi , Li Quansong , Yue Ling , Liu Ya‐Jun 
Published: December 2020

AbstractA first‐generation pair of chemiluminescent formaldehyde (FA) probes (CFAP540 and CFAP700) was reported recently. CFAP540 and CFAP700, with high selectivity and sensitivity to FA, are, respectively, suitable in cell and in vivo. Experimentalists have confirmed that both probes utilize a general 2‐aza‐Cope FA‐reactive trigger and a chemiluminogenic phenoxydioxetane scaffold. The mechanism and detailed process of CFAP chemiluminescence (CL) remain largely unknown. In the present paper, (time‐dependent) density functional theory calculations are performed on the entire reaction process of CFAP540 with FA to produce CL. The calculations elucidated the CL‐producing process: FA initiates the decomposition of CFAP540 by dehydration condensation, and a phenoxy 1,2‐dioxetane is formed through a series of reactions of aza‐Cope rearrangement, hydrolysis of imine, and β‐elimination of alkoxyl group. Afterwards, the produced phenoxy 1,2‐dioxetane decomposes to produce the m‐oxybenzoate derivative in the first singlet state (S1) via two crossings between potential energy surfaces of the ground state (S0) and S1 state. This m‐oxybenzoate derivative was assigned as the light emitter of the CFAP540 CL. The CL‐producing process and assignment of the light emitter of CFAP700 CL are similar with the corresponding ones of CFAP540. By analyzing the D‐π‐A architecture of the light emitters of CFAP540 and CFAP700, a series of CFAPs is theoretically designed and a scheme to modulate their CL from visible to near‐infrared region is proposed by adjusting the length and structure of the π‐bridge.
Effect of temperature and reaction atmosphere on nitric oxide emission during a char grate‐fired process in local flue gas recirculation
Authors: Yang Biying , Gao Jianmin , Xu Li , Xu Jie , Du Qian , Zhang Fengan , Chen Lei , Zhao Guangbo , Wu Shaohua 
Published: December 2020

AbstractLocal flue gas recirculation (LFGR) is an effective technology for reducing nitrogen oxide (NOx) emissions from coal‐fired industrial boilers. The temperature and reaction atmosphere changes when flue gas is recycled, thereby affecting both the grate‐fired process and NOx emission. In this paper, the boundary of LFGR was simulated by changing the experimental parameters. On a small‐scale one‐dimensional fixed‐bed system, the effects of temperature, O2 flux, and CO, CO2, and recycled NO concentrations on oxidation‐reduction layering and char nitrogen conversion during the char grate‐fired process were studied. The effect of temperature and recycled flue gas components on nitric oxide (NO) emissions during the char grate‐fired process was then analyzed based on the mass proportion of oxygen‐absent and oxygen‐present parts. The results show that, with the introduction of recycled flue gas, increasing the temperature will also increase the reduction layer mass and proportion, and, subsequently, inhibit NO emissions; increasing the O2 flux will reduce the reduction layer proportion and subsequently promote NO emissions; increasing the CO and CO2 concentrations will reduce the NO emitted from the oxidation layer, yet has limited effects on the entire char bed; and recycled NO will significantly reduce the NO emissions. The effect of LFGR‐induced changes in temperature and reaction atmosphere on NO emissions can be ascribed to the negative effect of the increase in O2 flux and the positive effect of the increase in temperature and CO, CO2, and recycled NO concentrations.
Serum lipoprotein(a) and risk of periprocedural myocardial injury in patients undergoing percutaneous coronary intervention
Authors: Huang Zhuoshan , Shui Xing , Ling Yesheng , Zhou Linli , Shi Wenqi , Luo Yanting , Li Suhua , Zhu Jieming , Yu Shujie , Liu Jinlai 
Published: December 2020

AbstractRecent studies and guidelines have indicated that lipoprotein(a) [Lp(a)]was an independent risk factor of arteriosclerotic cardiovascular disease (ASCVD). This study aimed to determine the relationship between serum Lp(a) levels and the risk of periprocedural myocardial injury following percutaneous coronary intervention (PCI) in coronary heartdisease (CHD) patients. This study enrolled 528 nonacute myocardial infarction (AMI) coronary heart disease (CHD) patients who successfully underwent PCI. Fasting serum lipids including Lp(a) were tested before PCI. High‐sensitivity cardiac troponin I (hs‐cTnI) was tested before PCI and 24 h after PCI. Univariate and multivariate logistic regression analyses were used to determine the relationship between preprocedural Lp(a) levels and postprocedural cTnI elevation from 1 × upper limit of normal (ULN) to 70 × ULN. As a continuous variable, multivariate analyses adjusting for conventional covariates and other serum lipids revealed that increased Lp(a) levels were independently associated with the risk of elevated postprocedural cTnI values above 1 × ULN (odds ratio [OR] per log‐unit higher: 1.31, 95% confidence interval [CI]: 1.02–1.68, P = 0.033], 5 × ULN (OR: 1.25, 95%CI: 1.02–1.53, P = 0.032), 10 × ULN (OR: 1.48, 95%CI: 1.18–1.86, P = 0.001) and 15 × ULN (OR: 1.28, 95%CI: 1.01–1.61, P = 0.038). As a categorical variable, Lp(a) > 300 mg/L was an independent risk factor of postproceduralc TnI≥1 × ULN (OR 2.17, 95%CI 1.12–4.21, P = 0.022), ≥5 × ULN (OR 1.82, 95%CI 1.12–2.97, P = 0.017) and ≥10 × ULN (OR 2.17, 95%CI 1.33–3.54, P = 0.002). Therefore, it could be concluded that elevated preprocedural Lp(a) levels were associated with the risk of PCI‐related myocardial injury in non‐AMI CHD patients.
Physiologically‐Based Pharmacokinetic Modeling in Renal and Hepatic Impairment Populations: A Pharmaceutical Industry Perspective
Authors: Heimbach Tycho , Chen Yuan , Chen Jun , Dixit Vaishali , Parrott Neil , Peters Sheila Annie , Poggesi Italo , Sharma Pradeep , Snoeys Jan , Shebley Mohamad , Tai Guoying , Tse Susanna , Upreti Vijay V. , Wang Ying‐Hong , Tsai Alice , Xia Binfeng , Zheng Ming , Zhu Andy Z.X. , Hall Stephen 
Published: December 2020

The predictive performance of physiologically‐based pharmacokinetics (PBPK) models for pharmacokinetics (PK) in renal impairment (RI) and hepatic impairment (HI) populations was evaluated using clinical data from 29 compounds with 106 organ impairment study arms were collected from 19 member companies of the International Consortium for Innovation and Quality in Pharmaceutical Development. Fifty RI and 56 HI study arms with varying degrees of organ insufficiency along with control populations were evaluated. For RI, the area under the curve (AUC) ratios of RI to healthy control were predicted within twofold of the observed ratios for > 90% (N = 47/50 arms). For HI, > 70% (N = 43/56 arms) of the hepatically impaired to healthy control AUC ratios were predicted within twofold. Inaccuracies, typically overestimation of AUC ratios, occurred more in moderate and severe HI. PBPK predictions can help determine the need and timing of organ impairment study. It may be suitable for predicting the impact of RI on PK of drugs predominantly cleared by metabolism with varying contribution of renal clearance. PBPK modeling may be used to support mild impairment study waivers or clinical study design.
Does corporate governance matter in corporate social responsibility disclosure? Evidence from Italy in the “era of sustainability”
Authors: Tibiletti Veronica , Marchini Pier Luigi , Furlotti Katia , Medioli Alice 
Published: December 2020

AbstractCorporate governance has long been the subject of interest for researchers in business administration. Corporate social responsibility (CSR) practices decided by boards of directors are now a key issue in the decision‐making process of companies. The relationship between the governance structure and CSR policies is crucial to defining the companies' strategic view. In this paper, we identify how the characteristics of corporate governance impact CSR disclosure. Our findings show that a large board of directors reduces the probability of adhering to practices that involve stakeholders more closely in company activity, while companies with more independent directors have a higher level of stakeholder protection almost by definition. Thus, there is a need for additional ways of involving stakeholders in company activity. Our results also reveal that an overlap between the roles of the CEO and the board chairman is an undesirable influence on a CSR report.
In‐depth analysis of an RCD snubber applied to a DC‐DC boost converter
Authors: Vaz Alexandre Rodrigues , Tofoli Fernando Lessa 
Published: December 2020

SummaryResistor‐capacitor‐diode (RCD) snubbers are traditionally used in practice aiming to maintain the stresses on semiconductors within safe operating limits. However, a serious drawback is the power lost in the resistor, which may affect the converter efficiency significantly. In this context, this work proposes a detailed procedure for the accurate design of an RCD snubber based on two additional key parameters that are not considered in typical guidelines provided in didactic books, that is, the forward recovery time of the main diode and the inductor current ripple. The impact of the maximum additional voltage spike on the switch is first assessed considering that it influences both the power dissipated in the snubber resistor and the current stresses on all semiconductors. A systematic optimization of the design is presented later on, considering that proper tradeoffs can be made among the type of main diode used in the converter, the maximum voltage spike on the switch, and the inductor current ripple as demonstrated mathematically. A dc‐dc boost converter operating in continuous conduction mode (CCM) is thoroughly analyzed so that is possible to derive a consistent methodology comprising all power stage elements. This study intends to shed new light on an old research topic, as well to investigate the snubber impact on the converter operation and overall performance. The effectiveness of the proposed approach is demonstrated experimentally employing a laboratory prototype rated at 200 W. The results clearly show that is possible to optimize the design as desired, with good overall performance over a wide load range considering all aforementioned aspects.
Design of wide band compact bend triangular resonator artificial magnetic conductor and its application for antenna gain enhancement
Authors: Tamrakar Maruti , Kiran Kommuri Usha 
Published: December 2020

SummaryIn this paper, a compact bend triangular resonator (CBTR) structure is proposed as artificial magnetic conductor (AMC) to enhance antenna gain for wide frequency bandwidth. This paper presents the metamaterial properties of the CBTR structure like absorbance and reflection phase. The CBTR unit cell gives in‐phase reflection (0° ± 90°) for 55.2% bandwidth. The CBTR unit‐cell reflection phase analysis is presented for the different height of normal incident wave. The CBTR AMC performance is validated using a wideband dipole antenna. For −6‐dB impedance bandwidth, the standalone dipole antenna covers ultrawide frequency range 3.1–12 GHz and for −10‐dB impedance bandwidth, antenna has dual band frequency response 3.4–4.4 GHz and 8.3–11 GHz. The antenna shows good impedance matching and radiation characteristics for frequency range, where the unit‐cell reflection phase is 135° to 45° for frequency range 2.5–6.5 GHz (bandwidth of 88.8%). The broadside directivity of 7 dBi is achieved for the dipole antenna with CBTR AMC in the frequency range of 2.5–6.5 GHz and broadside gain of >5 dBi in the frequency range of 3.2–6.7 GHz (bandwidth of 70.7%). The antenna efficiency of 60% (minimum) is achieved for the frequency range of 3.68.0 GHz (75.8%). The proposed CBTR design is orthogonally symmetric and is useful for dual‐polarized wideband frequency applications like wireless local area network (WLAN) (2.4–2.5 and 5.15–5.85 GHz) and new radio (NR) 5G sub‐6‐GHz (3.3–5.0 GHz).
Isotopic and elemental compositions reveal density‐dependent nutrition pathways in a population of mixotrophic jellyfish
Authors: Djeghri Nicolas , Pondaven Philippe , Stockenreiter Maria , Behl Stephan , Huang Jessica Y. T. , Hansen Thomas , Patris Sharon , Ucharm Gerda , Stibor Herwig 
Published: December 2020

AbstractMixotrophic organisms are increasingly recognized as important components of ecosystems, but the factors controlling their nutrition pathways (in particular their autotrophy–heterotrophy balance) are little known. Both autotrophy and heterotrophy are expected to respond to density‐dependent mechanisms but not necessarily in the same direction and/or strength. We hypothesize that the autotrophy–heterotrophy balance of mixotrophic organisms might therefore be a function of population densities. To investigate this relationship, we sampled mixotrophic jellyfish holobionts (host, Mastigias papua etpisoni; symbiont, Cladocopium sp.) in a marine lake (Palau, Micronesia) on six occasions (from 2010 to 2018). Over this period, population densities varied ~100 fold. We characterized the nutrition of the holobionts using the δ13C and δ15N signatures as well as C:N ratios. δ13C values increased and δ15N values decreased with increasing population densities (respectively, R2 = 0.86 and 0.70, P < 0.05). Although less distinct, C:N ratios increased with increasing population densities (R2 = 0.59, 0.1 > P > 0.05). This indicates that the autotrophy–heterotrophy balance tends toward autotrophy when population densities increase. We propose that the availability of zooplanktonic prey is the main driver of this pattern. These results demonstrate that the autotrophy–heterotrophy balance of mixotrophic jellyfishes can be tightly regulated by density‐dependent mechanisms.