bluuebunny/crossref_metadata_2025_split huggingface dataset:
Incidence and Risk Factors for Abusive Head Trauma: A Population‐Based Study
Authors: Rebbe Rebecca , Mienko Joseph A. , Martinson Melissa L. 
Published: June 2020

Previous studies of abusive head trauma (AHT) suggest that incidence may vary by geographic location, and there is limited information regarding population‐based risk factors for this form of child maltreatment. This study provides new knowledge regarding these two aspects using the population of the US State of Washington born between 1999 and 2013. We used a linked administrative dataset comprising birth, hospital discharge, child protective services (CPS) and death records to identify the scale and risk factors for AHT for the state population using quantitative survival methods. We identified AHT using diagnostic codes in hospital discharge records defined by the US Centers for Disease Control and Prevention. A total of 354 AHT hospitalisations were identified, and the incidence for the state was 22.8 per 100 000 children under the age of one. Over 10 per cent of these children died. Risk factors included a teenaged mother at the time of birth, births paid for using public insurance, a child's low birth weight and maternal Native American race. The strongest risk factor was a prior CPS allegation, a similar finding to a California study of injury mortality. The practice and policy implications of these findings are discussed.Key Practitioner Messages

A prior CPS report is a risk factor for AHT, regardless of the findings of the CPS report.
Two peaks of AHT were found, one at two months and another at eight months.
Prevention programming can target sociodemographic information available on birth records including teenaged mothers, low birth weight and births paid for with public insurance.
Benefit of a staged in‐hospital revascularization strategy in hemodynamically stable patients with ST‐segment elevation myocardial infarction and multivessel disease: Analyses by risk stratification
Authors: Kim Min Chul , Bae SungA , Ahn Youngkeun , Sim Doo Sun , Hong Young Joon , Kim Ju Han , Jeong Myung Ho , Kim Hyo‐Soo , Chae Shung Chull , Cha Kwang Soo ,   Other Korea Acute Myocardial Infarction Registry Investigators
Published: June 2020

AbstractAimsThe proper timing and indication of revascularization for a non‐culprit artery in patients with ST‐segment elevation myocardial infarction (STEMI) and multivessel disease (MVD) without cardiogenic shock remains controversial.Methods and ResultsThis multicenter study included patients with STEMI and MVD without cardiogenic shock. Data were analyzed at 3 years according to the percutaneous coronary intervention (PCI) strategy: immediate multivessel revascularization (MVR) (n = 351), stepwise MVR (n = 510), and culprit‐only PCI (n = 1,142). The primary outcome was all‐cause mortality. The stepwise MVR group had a lower risk of all‐cause death. The results were consistent after multivariate regression, propensity‐score matching, inverse probability weighting, and Bayesian proportional hazards modeling. In subgroup analyses stratified by the Global Registry of Acute Coronary Events score, stepwise MVR also lowered the risk of all‐cause death compared to culprit‐only PCI and immediate MVR in high risk patients but not in patients at low to intermediate risk.ConclusionsIn patients with STEMI and MVD without cardiogenic shock, in‐hospital stepwise MVR was associated with a lower risk of all‐cause death than culprit‐only PCI or immediate MVR, particularly in the high‐risk subgroup.
First case report: Late‐onset coronary artery spasm after radiofrequency catheter ablation for atrial fibrillation in a Caucasian patient
Authors: Tsushima Takahiro , Osman Mohammed Najeeb , Josephson Richard A. , Thal Sergio G. 
Published: June 2020

AbstractMost of the coronary vasospasms were found intraprocedurally, and it is very rare to see late‐onset vasospasms that happened a few hours after uncomplicated ablations. The recognition of this rare but potentially life‐threatening complication is important to improve the conventional practice of catheter ablation for patients with drug‐refractory atrial fibrillation.
Advances in the Synthesis of Imine‐Containing Azaarene Derivatives via Photoredox Catalysis
Authors: Yin Yanli , Zhao Xiaowei , Jiang Zhiyong 
Published: June 2020

AbstractAbundant and structurally diverse nitrogen‐containing aromatic heterocycles (azaarenes) are of great importance in many scientific and industrial fields. The development of methods for accessing azaarene derivatives has thus attracted substantial attention from chemists. In particular, directly exploiting the electronic properties of azaarenes to trigger transformations of azaarene‐containing substrates has long been appreciated as a powerful tool because it avoids the use of extra activating groups and allows the straightforward functionalization of azaarenes. In recent years, numerous advances have been made in the synthesis of imine‐containing azaarene derivatives under photoredox catalysis; the unique electronic and structural properties of these azaarenes as well as highly reactive and non‐traditional radical‐based process have inspired a number of targeted strategies and the corresponding efficient methodologies. In view of the currently available reviews, here, we will discuss the advances in the strategies of using these azaarenes as analogues of carbonyls and as single‐electron oxidants from the first example to the present.
Oxygen Electrocatalysis with Mesoporous Co−N−C Catalysts: Towards Understanding the Active Site and Development of Rechargeable Zn‐Air Batteries
Authors: Samanta Arpan , Raj C. Retna 
Published: June 2020

AbstractWe demonstrate the synthesis of two bifunctional electrocatalysts (Co−N−C‐TET and Co−N−C‐Phen) based on cobalt‐ and nitrogen‐doped mesoporous carbon derived from cobalt complexes and their bifunctional electrocatalytic activity towards oxygen electrocatalysis. Both catalysts are bifunctionally active towards the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in alkaline pH. Co−N−C‐TET has excellent OER activity and delivers the benchmark current density of 10 mA cm−2 at a remarkably low overpotential of 0.28 V. The Co−N−C‐Phen catalyst is superior in terms of overall bifunctional activity and durability. The nitrogen and cobalt content of the catalyst controls the overall oxygen electrocatalytic performance. The nitrogen content, and its chemical nature in the catalyst, decides the ORR activity, whereas the metal content of the catalyst regulates the OER activity. Cobalt‐rich Co−N−C‐TET has significantly high OER activity compared to Co−N−C‐Phen. The enhanced OER activity of the Co−N−C‐TET catalyst is ascribed to the presence of a high cobalt content. The graphitic‐N‐ and pyridinic‐N‐rich Co−N−C‐Phen catalyst has enhanced ORR activity. An aqueous rechargeable Zn‐air battery (ZAB) is fabricated using the Co−N−C‐Phen‐based air‐cathode. The ZAB shows an open‐circuit voltage of 1.40 V and power density of 128.2 mW cm−2 with >48 h of galvanostatic charge‐discharge cycling stability. It outperforms the reference ZAB made of Pt and IrO2 catalysts.
Tuning the Triplet Excited State of Bis(dipyrrin) Zinc(II) Complexes: Symmetry Breaking Charge Transfer Architecture with Exceptionally Long Lived Triplet State for Upconversion
Authors: Mahmood Zafar , Rehmat Noreen , Ji Shaomin , Zhao Jianzhang , Sun Shanshan , Di Donato Mariangela , Li Mingde , Teddei Maria , Huo Yanping 
Published: June 2020

AbstractZinc(II) bis(dipyrrin) complexes, which feature intense visible absorption and efficient symmetry breaking charge transfer (SBCT) are outstanding candidates for photovoltaics but their short lived triplet states limit applications in several areas. Herein we demonstrate that triplet excited state dynamics of bis(dipyrrin) complexes can be efficiently tuned by attaching electron donating aryl moieties at the 5,5′‐position of the complexes. For the first time, a long lived triplet excited state (τT=296 μs) along with efficient ISC ability (ΦΔ=71 %) was observed for zinc(II) bis(dipyrrin) complexes, formed via SBCT. The results revealed that molecular geometry and energy gap between the charge transfer (CT) state and triplet energy levels strongly control the triplet excited state properties of the complexes. An efficient triplet–triplet annihilation upconversion system was devised for the first time using a SBCT architecture as triplet photosensitizer, reaching a high upconversion quantum yield of 6.2 %. Our findings provide a blueprint for the development of triplet photosensitizers based on earth abundant metal complexes with long lived triplet state for revolutionary photochemical applications.
Intermacrocyclic Interactions upon Stepwise Oxidations in a Monometallic Porphyrin Dimer: Ring versus Metal‐Center Oxidations and Effect of Counter Anions
Authors: Singh Akhil Kumar , Rath Sankar Prasad 
Published: June 2020

AbstractThe effect of intermacrocyclic interactions was studied by controlled and stepwise oxidations of a monometallic silver(II) porphyrin dimer that contains a highly flexible ethane bridge. Monometallic dimers are unique systems and behave differently from their dimetallic analogues on the basis of their available sites for storing oxidizing equivalents. UV‐visible spectrometry, 1H NMR spectroscopy, XPS and single crystal X‐ray diffraction studies clearly suggest the removal of the first electron from the metal center. The removal of the second electron occurred from the ring center to form a π‐cation radical and, thereby, form a very unique mixed‐valent species. However, unlike in all other ethane‐bridged metalloporphyrin dimers reported earlier, the 2e‐oxidized species showed quite unusual structures depending on the nature of counter ions. Ions, such as SbF6, SbCl6 and PF6, are engaged in strong interactions with the porphyrin π‐cation radical and causes substantial structural changes, including large deformation of the ring. The solid‐state structure remains intact in solution as well. The observations are further supported by DFT calculations.
Cocrystals “Divorce and Marriage”: When a Binary System Meets an Active Multifunctional Synthon in a Ball Mill
Authors: Dudek Marta K. , Śniechowska Justyna , Wróblewska Aneta , Kaźmierski Sławomir , Potrzebowski Marek J. 
Published: June 2020

AbstractA well‐defined and stable “AB” binary system in the presence of “C” a crystalline synthon ground in a ball mill undergoes selective transformation in the solid state according to the equation AB+C→AC+B. When the amount of C is increased two times then the equation AB+2C→AC+BC is valid. The other variants are more complex. The pathway BC+A is allowed and leads to the AC and B products. The pathway AC+B is not preferred, and no transformation is observed. These non‐obvious correlations were observed for cocrystal of barbituric acid (BA):thiobarbituric acid (TBA) recently reported by Shemchuk et al. (Chem. Commun. 2016, 52, 11815–11818) in the presence of 1‐hydroxy‐4,5‐dimethyl‐imidazole 3‐oxide (HIMO). This synthon shows high affinity for the BA0.5TBA0.5 cocrystal as well for its individual components, BA and TBA. Single‐quantum, double‐quantum (SQ‐DQ) 2D 1H very fast MAS NMR with a spinning rate of 60 kHz was employed as a basic and most diagnostic tool for the study of cocrystals transformations. Analysis of the experimental data was supported by theoretical calculations, including computation of the stabilization energy, Estab, defined as the energy difference between the energy of a co‐crystal and the sum of the energies of particular components in the respective stoichiometric ratios. Two mechanisms of synthon replacement have been proposed. Pathway 1 assumes a concerted mechanism of substitution. In this approach, synthon attack is synchronized in time with the departure of one of the components of the binary system. Pathway 2 implies a non‐concerted process, with an intermediate stage in which three separate components are present. Evidence suggesting a preference for Pathway 2 is shown.
Resonance Assisted Chalcogen Bonding as a New Synthon in the Design of Dyes
Authors: Gurbanov Atash V. , Kuznetsov Maxim L. , Mahmudov Kamran T. , Pombeiro Armando J. L. , Resnati Giuseppe 
Published: June 2020

AbstractIntramolecular chalcogen bonding in arylhydrazones of sulfamethizole is strengthened by conjugation in the π‐system of a noncovalent five‐membered ring. The S⋅⋅⋅O distance in the sulfamethizole moiety of these compounds ranges from 2.698(3) to 2.806(15) Å, which indicates its strong dependence on the attached arylhydrazone fragments. Information on the nature of the intramolecular chalcogen bond was afforded by DFT calculations.
Tetrazole Azasydnone (C2N7O2H) And Its Salts: High‐Performing Zwitterionic Energetic Materials Containing A Unique Explosophore
Authors: Gettings Matthew L. , Thoenen Michael T. , Byrd Edward F. C. , Sabatini Jesse J. , Zeller Matthias , Piercey Davin G. 
Published: June 2020

AbstractThis work reports the first compound containing both a tetrazole and an azasydnone ring, a unique energetic material. Several energetic salts of the tetrazole azasydnone were synthesized and characterized, leading to the creation of new secondary and primary explosives. Molecular structures are confirmed by 1H and 13C NMR, IR spectroscopy, and X‐ray crystallographic analysis. The high heats of formation, fast detonation velocities, and straight‐forward synthesis of energetic azasydnones should capture the attention of future energetics research.
Nonclassical Recrystallization
Authors: Brunner Julian , Maier Britta , Rosenberg Rose , Sturm Sebastian , Cölfen Helmut , Sturm Elena V. 
Published: June 2020

AbstractApplications in the fields of materials science and nanotechnology increasingly demand monodisperse nanoparticles in size and shape. Up to now, no general purification procedure exists to thoroughly narrow the size and shape distributions of nanoparticles. Here, we show by analytical ultracentrifugation (AUC) as an absolute and quantitative high‐resolution method that multiple recrystallizations of nanocrystals to mesocrystals is a very efficient tool to generate nanocrystals with an excellent and so‐far unsurpassed size‐distribution (PDIc=1.0001) and shape. Similar to the crystallization of molecular building blocks, nonclassical recrystallization removes “colloidal” impurities (i.e., nanoparticles, which are different in shape and size from the majority) by assembling them into a mesocrystal. In the case of nanocrystals, this assembly can be size‐ and shape‐selective, since mesocrystals show both long‐range packing ordering and preferable crystallographic orientation of nanocrystals. Besides the generation of highly monodisperse nanoparticles, these findings provide highly relevant insights into the crystallization of mesocrystals.
Total Synthesis of Terpioside B
Authors: Inaba Kazuki , Endo Masato , Iibuchi Naoto , Takahashi Daisuke , Toshima Kazunobu 
Published: June 2020

AbstractThe first total synthesis of terpioside B (1) has been accomplished. Key steps include the stereoselective installments of a set of challenging 1,2‐cis‐glycosidic linkages. Thus, α(1,4)‐linked d‐galactoside was effectively constructed from a 1,2‐anhydrogalactose donor and an unprotected 1,6‐anhydrogalactose acceptor by using a boron‐mediated aglycon delivery (BMAD) method. In addition, α‐l‐fucofuranosides were stereoselectively and simultaneously constructed by remote group‐assisted 1,2‐cis‐α‐stereoselective glycosylations.
Enantiopure ethyl 2,3‐dibromopropionate: Enantioselective synthesis vs preparative HPLC enantioseparation of racemate on multigram scale
Authors: Pham Hong‐Ngoc , Arrault Axelle , Vanthuyne Nicolas , Acherar Samir 
Published: June 2020

AbstractRacemic ethyl 2,3‐dibromopropionate, commercially available at low price, is a key intermediate used in the synthesis of several heterocycle fragments, which are present in many biologically active compounds. Surprisingly, the enantiomers are not commercially available and have never been described in the literature. In this work, we undertook two different strategies to obtain these enantiomers, which are enantioselective synthesis and preparative HPLC enantioseparation of commercially available racemate on multigram scale. The first strategy has proved inadequate because racemization occurred during the synthesis (ee ≈ 9‐50%). Conversely, the second strategy produced a very good enantioseparation of commercially available racemate (ee > 99.5% for both enantiomers) on multigram scale.
Kostenkalkulation im Anlagenbau: Modell zur Bewertung der Konkurrenzfähigkeit im Entwicklungsstadium
Authors: Horst Stephan , Höfer Jannik , Kleine‐Möllhoff Peter , Wennagel Fabienne , Wiech Nils , Pfost Michael , Atmaca Bercan , Gries Julia , Epple Rolf 
Published: June 2020

AbstractWährend Grundchemikalien größtenteils im industriellen Maßstab mittels verfahrenstechnisch optimierter Großanlagen hergestellt werden, entwickeln Forschungsinstitute biobasierte Prozesse zur Herstellung von Plattformchemikalien im Labor‐ und Pilotmaßstab. Im Rahmen dieser Arbeit wird ein Kostenkalkulationsmodell zur Abschätzung der Investitions‐ und Betriebskosten verfahrenstechnischer Anlagen vorgestellt, auf dessen Basis die ökonomische Konkurrenzfähigkeit in der Entwicklung befindlicher Verfahren ermittelt werden kann. Das Modell ist für Anwendungen im industriellen Maßstab geeignet.
Experimental study and reproduction of a color‐changing bath ball using a smartphone as a photometer
Authors: Rautenstrauch Hanne 
Published: June 2020

AbstractGemäß den Bildungsstandards für den mittleren Schulabschluss und den einheitlichen Prüfungsanforderungen für das Abitur ist es im Bereich der Erkenntnisgewinnung ein wesentliches Ziel des Chemieunterrichts, Schülerinnen und Schüler zum Planen von Experimenten, zum Entwickeln von Hypothesen und zum Durchführen und Bewerten der Experimente hinsichtlich einer eingangs gestellten Problemstellung zu befähigen. Um diese Kompetenzen anzubahnen, können offene Experimentalaufgaben, die ein forschendes Lernen ermöglichen und fordern, im Unterricht eingesetzt werden. Eine Möglichkeit für eine alltagsgegenstandsbezogene Problemstellung bietet die Farbwechselbadekugel, welche mit Hilfe nasschemischer Analyseverfahren, einem Smartphone‐Photometer und mit Papierchromatographie von Schülerinnen und Schülern auf ihre Bestandteile hin untersucht und anschließend nachgebaut werden kann.
Pharmacokinetics of Single and Multiple Doses of Omega‐3 Carboxylic Acids in Healthy Chinese Subjects: A Phase I, Open‐Label Study
Authors: Jing Shan , Zhang Zhenxian , Chen Xiaowen , Miao Rui , Nilsson Catarina , Lin Yang 
Published: June 2020

AbstractIn patients with coronary heart disease undergoing primary prevention, hypertriglyceridemia is a residual risk for cardiovascular events. Omega‐3 carboxylic acid (OM3‐CA), a mixture of the free fatty acid forms of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA), may be beneficial in reducing triglyceride levels. As part of the clinical development program of OM3‐CA in China, this phase I study evaluated the pharmacokinetics, safety, and tolerability profile of OM3‐CA in healthy subjects. The pharmacokinetic results of this study were also compared with those of available data for Western populations. Fourteen healthy Chinese subjects (aged 18‐45 years) received once‐daily oral OM3‐CA 4 g for 14 consecutive days. Pharmacokinetic parameters were assessed from both baseline‐uncorrected and baseline‐corrected plasma concentrations vs time profile of EPA, DHA, and EPA plus DHA. Following single and multiple oral doses of OM3‐CA, the absorption of EPA, DHA, and EPA plus DHA was steady with median tmax occurring at 5.5–6 hours after both single and multiple dosing. Close to steady‐state concentrations in plasma were reached after 14 days of continuous once‐daily dosing, and accumulation was confirmed for EPA, DHA, and EPA plus DHA. Of the 14 subjects treated with OM3‐CA, 6 (42.9%) reported at least 1 adverse event (diarrhea) during the study, which was determined as mild and treatment emergent. No serious adverse events were reported. In summary, the pharmacokinetic profile of oral OM3‐CA 4 g after single and multiple dosing in healthy Chinese subjects is consistent with that observed in other ethnic populations.
BODIPY on Board of Sugars: A Short Enlightened Journey up to the Cells
Authors: Barattucci Anna , Campagna Sebastiano , Papalia Teresa , Galletta Maurilio , Santoro Antonio , Puntoriero Fausto , Bonaccorsi Paola 
Published: June 2020

AbstractBODIPY dyes have unique properties including: good stability in many solvents, high extinction coefficients, stability to light, sharp fluorescence emissions in the visible region with high fluorescence quantum yields. Moreover, through small chemical modifications of the skeleton, their luminescence properties can be finely tuned. As a consequence, during the last decades, this family of chromophores found extensive application in a wide range of fields. Carbohydrates play a relevant role in living organisms: their tasks range from energy storage to structural constituents of cells and tissues, they are involved in a variety of molecular recognition phenomena of physiological and biological relevance. The cyclic structure of natural D‐monosaccharides, also offers the conditions to use carbohydrates as building‐blocks in the construction of more complex, supramolecular structures. With these assumptions, in the last years our research in this field has focused on the study of synthesis, the photophysical features, and the application in the biomedical field of molecules that bear the synergic presence of these two tools. Pointing on the rationalization of this research, this article will provide a synthetic review of our last‐year's results in the field of BODIPY/glycosyl species, that can be classified in two principal sections: a) the rational synthesis and the photophysical studies of BODIPY dyads and antennas containing different kind of sugar units as scaffolds, ranging from mono‐ to disaccharide patterns, and b) the synthetic functionalization and modification of suitable BODIPY structures, for their punctual application in the field of bio‐imaging.
A parameter estimation method for time‐frequency‐overlapped frequency hopping signals based on sparse linear regression and quadratic envelope optimization
Authors: Wang Liandong , Liu Zhipeng , Feng Yuntian , Liu Xiaoguang , Xu Xiong , Chen Xiang 
Published: June 2020

SummaryThe frequency hopping (FH) signals have well‐documented merits for commercial and military fields due to near‐far resistance and robustness to jamming. Therefore, the parameter estimation of FH signals is an important task for subsequent information acquisition and autonomous electronic countermeasure or attack. However, under the complex electromagnetic environment, there always exist overlaps in the time‐frequency domain among multiple signals, which bring poor signal sparsity and make the estimation more challenging. In this paper, a novel parameter estimation approach is developed for the time‐frequency‐overlapped FH signals under single‐channel reception. The exact solution is mainly composed of the sparse linear regression‐based matrix optimization (SLR‐MO) and quadratic envelope optimization (QEO). SLR‐MO highlights the removal of noise and distortion features for improving the overall sparsity and time‐frequency resolution. QEO further eliminates parts of the interfering signal features and outliers and then extracts and optimizes the average time‐frequency ridge to complete the parameter estimation (hopping instants, period, and carriers). Simulation results demonstrate that the developed estimator outperforms the traditional methods in the scope of application, estimation accuracy, and the robustness under low signal‐to‐noise ratio (SNR).