bluuebunny/crossref_metadata_2025_split huggingface dataset:
Visible light‐induced photodeoxygenation of polycyclic selenophene Se‐oxides
Authors: Chintala Satyanarayana M. , Throgmorton John C. , Maness Peter F. , McCulla Ryan D. 
Published: September 2020

AbstractPhotodeoxygenation of dibenzothiophene S‐oxide (DBTO) is believed to produce ground‐state atomic oxygen [O(3P)] in solution. Compared with other reactive oxygen species (ROS), O(3P) is a unique oxidant as it is potent and selective. Derivatives of DBTO have been used as O(3P)‐precursors to oxidize variety of molecules, including plasmid DNA, proteins, lipids, thiols, and other small organic molecules. Unfortunately, the photodeoxygenation of DBTO requires ultraviolet irradiation, which is not an ideal wavelength range for biological systems, and has a low quantum yield of approximately 0.003. In this work, benzo[b]naphtho[1,2‐d]selenophene Se‐oxide, benzo[b]naphtho[2,1‐d]selenophene Se‐oxide, dinaphtho[2,3‐b:2’,3’‐d]selenophene Se‐oxide, and perylo[1,12‐b,c,d]selenophene Se‐oxide were synthesized, and their ability to utilize visible light for generating O(3P) was interrogated. Benzo[b]naphtho[1,2‐d]selenophene Se‐oxide produces O(3P) upon irradiation centered at 420 nm. Additionally, benzo[b]naphtho[1,2‐d]selenophene Se‐oxide, benzo[b]naphtho[2,1‐d]selenophene Se‐oxide, and dinaphtho[2,3‐b:2’,3’‐d]selenophene Se‐oxide produce O(3P) when irradiated with UVA light and have quantum yields of photodeoxygenation ranging from 0.009 to 0.33. This work increases the utility of photodeoxygenation by extending the range of wavelengths that can be used to generate O(3P) in solution.
“It's important to me”: A qualitative analysis on shared decision‐making and patient preferences in older adults with early‐stage breast cancer
Authors: Lawhon Valerie M. , England Rebecca E. , Wallace Audrey S. , Williams Courtney P. , Williams Beverly R. , Niranjan Soumya J. , Ingram Stacey A. , Rocque Gabrielle B. 
Published: September 2020

AbstractObjectiveShared decision‐making (SDM) occurs when physicians and patients jointly select treatment that aligns with patient care goals. Incorporating patient preferences into the decision‐making process is integral to successful decision‐making. This study explores factors influencing treatment selection in older patients with early‐stage breast cancer (EBC).MethodsThis qualitative study included women age ≥65 years with EBC. To understand role preferences, patients completed the Control Preferences Scale. Semi‐structured interviews were conducted to explore patients' treatment selection rationale. Interview transcripts were analyzed using a constant comparative method identifying major themes related to treatment selection.ResultsOf 33 patients, the majority (48%) desired shared responsibility in treatment decision‐making. Interviews revealed that EBC treatment incorporated three domains: Intrinsic and extrinsic influences, clinical characteristics, and patient values. Patients considered 19 treatment selection themes, the most prioritized including physician trust and physical side effects.ConclusionsBecause preferences and approach to treatment selection varied widely in this sample of older, EBC patients, more research is needed to determine best practices for preference incorporation to optimize SDM at the time of treatment decisions.
New indicators for optimal lung recruitment during high frequency oscillator ventilation
Authors: Rodríguez Sánchez de la Blanca Ana , Sánchez Luna Manuel , González Pacheco Noelia , Ramos Navarro Cristina , Santos González Martín , Tendillo Cortijo Francisco 
Published: September 2020

AbstractPrevious research has demonstrated the potential benefit derived from the combination of high frequency oscillatory ventilation and volume guarantee mode (HFOV‐VG), a procedure that allows us to explore and control very low tidal volumes. We hypothesized that secondary spontaneous change in oscillation pressure amplitude (∆Phf), while increasing the mean airway pressure (MAP) using HFOV‐VG can target the lung recruitment.MethodsA two‐step animal distress model study was designed; in the first‐step (ex vivo model), the animal's lungs were isolated to visually check lung recruitment and, in the second one (in vivo model), they were checked through arterial oxygen partial pressure improvement. Baseline measurements were performed, ventilation was set for 10 min and followed by bronchoalveolar lavage with isotonic saline to induce depletion of surfactant and thereby achieve a low compliance lung model. The high‐frequency tidal volume and frequency remained constant and the MAP was increased by 2 cmH2O (ex vivo) and 3 cmH2O steps (in vivo) every 2 min. Changes in ΔPhf to achieve the fixed volume were recorded at the end of each interval to describe the maximum drop point as the recruitment point.ResultsFourteen Wistar Han rats were included, seven on each sub‐study described. After gradual MAP increments, a progressive decrease in ΔPhf related to recruited lung regions was visually demonstrated. In the in vivo model we detected a significant comparative decrease of ΔPhf, when measured against the previous value, after reaching a MAP of 11 cmH2O up to 17 cmH2O, correlating with a significant improvement in oxygenation.ConclusionThe changes in ∆Phf, linked to a progressive increase in MAP during HFOV‐VG, might identify optimal lung recruitment and could potentially be used as an additional lung recruitment marker.
Availability of secondary healthcare data for conducting pharmacoepidemiology studies in Colombia: A systematic review
Authors: Franco Juan‐Sebastian , Vizcaya David 
Published: September 2020

AbstractReal‐world evidence (RWE) is emerging as a fundamental component of the post‐marketing evaluation of medicinal products. Even though the focus on RWE studies has increased in Colombia, the availability of secondary data sources to perform this type of research is not well documented. Thus, we aimed at identifying and characterizing secondary data sources available in Colombia. We performed a systematic literature review on PubMed, EMBASE, and VHL using a combination of controlled vocabulary and keywords for the concepts of electronic health records, epidemiologic studies and Colombia. A total of 323 publications were included. These comprised 123 identified secondary data sources including pharmacy dispensing databases, government datasets, disease registries, insurance databases, and electronic heath records, among others. These data sources were mostly used for cross‐sectional studies focused on disease epidemiology in a specific population. Almost all databases (95%) contained demographic information, followed by pharmacological treatment (44%) and diagnostic tests (39%). Even though the database owner was identifiable in 94%, access information was only available in 44% of the articles. Only a pharmacy‐dispensing database, local cancer registries, and government databases included a description regarding the quality of the information available. The diversity of databases identified shows that Colombia has a high potential to continue enhancing its RWE strategy. Greater efforts are required to improve data quality and accessibility. The linkage between databases will expand data pooling and integration to boost the translational potential of RWE.
A compound optimality criterion for D‐efficient and separation‐robust designs for the logistic regression model
Authors: Park Anson R. , Mancenido Michelle V. , Montgomery Douglas C. 
Published: September 2020

AbstractThe ‐criterion is proposed to generate optimal designs for the logistic regression model with reduced separation probabilities. This compound criterion has two components: (a) the ‐efficiency of the candidate design and (b) a penalty term that captures the average distance of the candidate design's support points from the region of maximum prediction variance (MPV). A ‐optimal design maximizes the ‐criterion. The aim is to obtain compromise experimental designs with high ‐efficiencies that are more robust to separation than a ‐optimal design of equal size. This paper presents the ‐criterion and demonstrates examples of its potential use as a means of mitigating separation in the design phase of a binary response experiment. For the examples presented, the local ‐optimal designs offer a 20‐30% reduction in separation probability over the local ‐optimal designs while maintaining ‐efficiencies over 93%. A robust design methodology is also demonstrated, where a robust ‐optimal design is compared to a Bayesian ‐optimal design and shown to have comparable ‐efficiencies across a range of randomly drawn parameter values while offering a mean reduction in separation probability of 23.9%.
Focused ultrasound robotic system for very small bore magnetic resonance imaging
Authors: Damianou Christakis , Giannakou Marinos , Evripidou Nikolas , Kegel Stefan , Huber Peter , Jenne Juergen 
Published: September 2020

AbstractBackgroundA magnetic resonance imaging (MRI) compatible robotic system for focused ultrasound was developed for small animal like mice or rats that fits into a 9.4 T MRI scanner (Bruker Biospec 9420, Bruker Biospin, Ettlingen, Germany). The robotic system includes two computer‐controlled linear stages.Materials and MethodsThe robotic system was evaluated in a mouse‐shaped, real‐size agar‐based mimicking material, which has similar acoustical properties as soft tissues. The agar content was 6% weight per volume (w/v), 4% w/v silica while the rest was degassed water. The transducer used has a diameter of 4 cm, operates with 2.6 MHz and focuses energy at 5 cm.ResultsThe MRI compatibility of the robotic system was evaluated in a 9.4 T small animal scanner. The efficacy of the ultrasonic transducer was evaluated in the mimicking material using temperature measurements.ConclusionsThe proposed robotic system can be utilized in a 9.4 T small animal MRI scanner. The proposed system is functional, compact and simple thus providing a useful tool for preclinical research in mice and rats.
Event‐triggered distributed model predictive control for resilient voltage control of an islanded microgrid
Authors: Ge Pudong , Chen Boli , Teng Fei 
Published: September 2020

SummaryThis article addresses the problem of distributed secondary voltage control of an islanded microgrid (MG) from a cyber‐physical perspective. An event‐triggered distributed model predictive control (DMPC) scheme is designed to regulate the voltage magnitude of each distributed generators (DGs) in order to achieve a better trade‐off between the control performance and communication and computation burdens. By using two novel event triggering conditions that can be easily embedded into the DMPC for the application of MG control, the computation and communication burdens are significantly reduced with negligible compromise of control performance. In addition, to reduce the sensor cost and to eliminate the negative effects of nonlinearity, an adaptive nonasymptotic observer is utilized to estimate the internal and output signals of each DG. Thanks to the deadbeat observation property, the observer can be applied periodically to cooperate with the DMPC‐based voltage regulator. Finally, the effectiveness of the proposed control method has been tested on a simple configuration with four DGs and the modified IEEE‐13 test system through several representative scenarios.
Viral pandemic preparedness: A pluripotent stem cell-based machine-learning platform for simulating SARS-CoV-2 infection to enable drug discovery and repurposing
Authors: Esmail Sally , Danter Wayne 
Published: September 2020

Abstract
Infection with the SARS-CoV-2 virus has rapidly become a global pandemic for which we were not prepared. Several clinical trials using previously approved drugs and drug combinations are urgently under way to improve the current situation. A vaccine option has only recently become available, but worldwide distribution is still a challenge. It is imperative that, for future viral pandemic preparedness, we have a rapid screening technology for drug discovery and repurposing. The primary purpose of this research project was to evaluate the DeepNEU stem-cell based platform by creating and validating computer simulations of artificial lung cells infected with SARS-CoV-2 to enable the rapid identification of antiviral therapeutic targets and drug repurposing. The data generated from this project indicate that (a) human alveolar type lung cells can be simulated by DeepNEU (v5.0), (b) these simulated cells can then be infected with simulated SARS-CoV-2 virus, (c) the unsupervised learning system performed well in all simulations based on available published wet lab data, and (d) the platform identified potentially effective anti-SARS-CoV2 combinations of known drugs for urgent clinical study. The data also suggest that DeepNEU can identify potential therapeutic targets for expedited vaccine development. We conclude that based on published data plus current DeepNEU results, continued development of the DeepNEU platform will improve our preparedness for and response to future viral outbreaks. This can be achieved through rapid identification of potential therapeutic options for clinical testing as soon as the viral genome has been confirmed.
A Quick Responsive Chitosan‐Oxine Based Thin Film to Recognize and Remove Zn2+ Ions from Potable Water
Authors: Kumar Mundayaliyath Mundayat Akhil , Biju Valsala Madhavan Nair 
Published: September 2020

AbstractThrough the functionalization of chitosan (CS) with an oxine derivative, 8‐hydroxy‐2‐methyl‐quinoline5,7‐ sulfonyl chloride (HQSC), a thin film was prepared (CS‐HQSC). The film can recognize and adsorb Zn2+ ions from the aqueous samples. The sensor performances were characterized by UV‐Visible and fluorescence spectroscopic analysis. The weakly fluorescent thin film becomes highly fluorescent in the presence of Zn2+ ions. The solution‐phase study of the functionalized material shows a 30‐fold fluorescence enhancement in the presence of Zn2+ ions. The chelation of Zn2+ ions with CS‐HQSC could be the reason for the fluorescence enhancement. The chelation restricts the excited‐state proton transfer in the quinoline ring and facilitates chelation enhanced fluorescence. The sensor showed a linear detection of Zn2+ ions from 0.2 to 2 ppm, with the lowest detection limit of 0.08 ppm. The practical applicability studies of the sensor prove that the sensor film is quick responsive (30 seconds) and recyclable in acid solution. Also, the functionalized material CS‐HQSC shows 96 % removal of Zn2+ ions from the water samples.
Selective Functionalization of Benzo‐Fused N‐Heterocycles by Using In Situ Trapping Metalations
Authors: Nishimura Rodolfo H. V. , Murie Valter E. , Vessecchi Ricardo , Clososki Giuliano C. 
Published: September 2020

AbstractWe have prepared some benzo‐fused N‐heterocycles derivatives by regioselective metalation of quinoline, isoquinoline, quinoxaline, and quinazoline with LiTMP in the presence of zinc chloride. Applying this strategy to synthesize an analog of the antitumor verubulin illustrates its relevance for medicinal chemistry. Computational calculations of the pKa values of the aromatic hydrogens have helped us to rationalize substrate reactivity and metalation regioselectivity by the complex‐induced proximity effect concept.
Evaluation of Antibacterial and Antioxidant Activities of Silver‐Decorated TiO2 Nanoparticles
Authors: Boudghene‐Guerriche Amina , Chaker Hanane , Aissaoui Mohammed , Chikhi Ilyas , Saidi‐Bendahou Karima , Moukhtari‐Soulimane Nassima , Fourmentin Sophie 
Published: September 2020

AbstractSilver nanoparticles (AgNPs) at different amounts have successfully been deposited, by simple impregnation on the titanium dioxide (TiO2) developed by the hydrothermal method. A textural and structural study of prepared materials was conducted using different analysis techniques, namely X‐Ray Diffraction (XRD), Diffuse Reflectance UV‐Vis (DR/UV‐Vis) spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy, in addition to the Brunauer–Emmett–Teller (BET) method.The nanostructured prepared materials were tested for their antibacterial activity on four strains, i. e. two Gram‐negative (G−) bacteria, namely Escherichia coli ATCC 8739 and A. baumanni ATCC 19606, and two Gram positive (G+) bacteria, i. e. S.aureus ATCC 6538 and E.cloacae ATCC 13047. The antioxidant effect was also tested on the reference radical DPPH° (2,2‐diphenyl‐1‐picrylhydrazyle). AgNPs supported on TiO2 showed good antibacterial activity against the four selected strains. In addition, the minimum inhibitory concentration (MIC) was observed in the case of the low‐grade silver‐doped catalyst (0.1 % Ag/TiO2). Differently from the antibacterial activity, the antioxidant effect of the prepared materials was found to be pronounced in the cases of materials with high silver contents for which there was degradation of the radical in comparison with the one of the reference acid.
Magnetic Properties of Metal Clusters Coordinated with (Nitronyl Nitroxide)‐Substituted Amidinate Ligands
Authors: Tanimoto Ryu , Suzuki Shuichi , Kozaki Masatoshi , Kanzaki Yuki , Shiomi Daisuke , Sato Kazunobu , Takui Takeji , Tanaka Rika , Okada Keiji 
Published: September 2020

AbstractWe prepared dicopper, disilver, and tetragold clusters ligated with (nitronyl nitroxide)‐substituted amidinate (NN‐amidinate). NN‐substituted amidine was prepared from N,N′‐diphenylcarbodiimide via a nucleophilic reaction with nitronyl nitroxide as a radical anion. The NN‐amidinate ligand was generated by treatment with an appropriate base, and subsequent addition of copper(I), silver(I), or gold(I) sources gave the respective metal cluster systems of Cu2‐(NN‐amidinate)2, Ag2‐(NN‐amidinate)2, or Au4‐(NN‐amidinate)4. These radical‐metal clusters exhibited excellent stability, even in solution under aerated conditions, making them easy to handle. Single crystals were obtained by recrystallization from suitable solvent systems. The spin structures of the cluster systems were investigated by ESR spectroscopy and magnetic susceptibility measurements, which indicated the existence of weak intramolecular, spin‐spin interactions between the NN moieties.
Recent Advances in Metal‐Catalyzed Carbonylation Reactions by Using Formic Acid as CO Surrogate
Authors: Hussain Nazar , Chhalodia Anuj Kumar , Ahmed Ajaz , Mukherjee Debaraj 
Published: September 2020

AbstractCarbonylation reactions under transition metal catalysis have emerged as one of the most important strategies for the construction of CO inserted molecules having both industrial and material applications. Hence the most widely used protocol for the insertion of CO is by the utilization of CO (gas) but this method limits its applicability in industrial‐scale carbonylation due to toxic and explosive nature. To use more cheaper and environmentally benign methods the chemistry of CO surrogates gained considerable attention with the emergence of newer methods and CO surrogates. Aldehydes, formate esters, formamides, and metal carbonyls are the some of the CO surrogates that have been extensively utilized in recent times for the synthesis of industrial bulk chemicals as well in small scale synthesis of pharmacological building blocks. In this review, we have summarized the recent development in carbonylation reactions by utilization of formic acid as CO surrogate.
Electrochemical Charging Effect on the Optical Properties of InP/ZnSe/ZnS Quantum Dots
Authors: Park Jumi , Won Yu‐Ho , Kim Taehyung , Jang Eunjoo , Kim Dongho 
Published: September 2020

AbstractSemiconductor quantum dots (QDs) are spotlighted as a key type of emissive material for the next generation of light‐emitting diodes (LEDs). This work presents the investigation of the electrochemical charging effect on the absorption and emission of the InP/ZnSe/ZnS QDs with different mid‐shell thicknesses. The excitonic peak is gradually bleached during electrochemical charging, which is caused by 1Se (or 1Sh) state filling when the electron (or hole) is injected into the InP core. Additional charges also lead to photoluminescence (PL) intensity reduction, however, it is greatly mitigated as the mid‐shell thickness increases. Various PL measurements reveal that the PL reduction under electrochemical charging is attributed to the acoustic phonon‐assisted Auger recombination. Here, the Auger recombination in QDs with a thick mid‐shell is reduced under the electrochemically charged condition, indicating that QDs with larger volume are more stable emitters in charge‐injecting devices such as LEDs. Furthermore, the negative and positive trion Auger recombination rate constants are estimated, respectively, via electrochemical charging. The negative trion Auger rate constants decrease with an increase in the mid‐shell thickness increases, whereas the positive trion Auger rate constants are not heavily reliant on the mid‐shell thickness.
Fusiform‐Shaped g‐C3N4 Capsules with Superior Photocatalytic Activity
Authors: Jiang Zhixiang , Zhang Xiao , Chen Hsueh‐Shih , Yang Ping , Jiang San Ping 
Published: September 2020

AbstractCarbon nitride (g‐C3N4) nanostructure rebuilding is an effective means to modify its photocatalytic properties, especially the hollow micron‐nanostructure. The increased scattering in the body effectively improves the light utilization efficiency and improves catalytic properties. In this work, fusiform‐shaped g‐C3N4 capsules are created by controlling the nucleation kinetics of supramolecular assemblies. The fusiform‐shaped capsule micron‐nanostructure is synthesized with ultrathin wall thickness and adjusted carbon/nitride ratios which decrease the recombination rate of photo‐generated carriers. The hollow nanostructure and relatively higher specific surface area of the fusiform‐shaped capsule effectively enhance light scattering inside body and lead to an enhanced carrier utilization efficiency. Moreover, the decrease of bandgap and relatively negative conduction band position affect the response of hollow fusiform‐shaped g‐C3N4 capsules (Hf‐g‐C3N4) in visible light region and improve the photo‐reducing performance. In term of H2 evolution property, Hf‐g‐C3N4 has been improved to 7052 µmol g−1 h−1, which is 10.9 times higher compared with bulk structure. More importantly, Hf‐g‐C3N4 can produce CH4 at the rate of 1.63 µmol g−1 h−1 without help of co‐catalyst and hole sacrificial agent in the photocatalytic reduction reaction of CO2 to CH4. At same time, the selective photocatalytic reduction of CO2 is another advantage of Hf‐g‐C3N4.