bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regulating N Species in N‐Doped Carbon Electro‐Catalysts for High‐Efficiency Synthesis of Hydrogen Peroxide in Simulated Seawater
Authors: Wang Nan , Ma Shaobo , Zhang Ruiyong , Wang Lifei , Wang Yanan , Yang Lihui , Li Jianhua , Guan Fang , Duan Jizhou , Hou Baorong 
Published: September 2023

AbstractElectrochemical oxygen reduction reaction (ORR) is an attractive and alternative route for the on‐site production of hydrogen peroxide (H2O2). The electrochemical synthesis of H2O2 in neutral electrolyte is in early studying stage and promising in ocean‐energy application. Herein, N‐doped carbon materials (N‐Cx) with different N types are prepared through the pyrolysis of zeolitic imidazolate frameworks. The N‐Cx catalysts, especially N‐C800, exhibit an attracting 2e− ORR catalytic activity, corresponding to a high H2O2 selectivity (≈95%) and preferable stability in 0.5 m NaCl solution. Additionally, the N‐C800 possesses an attractive H2O2 production amount up to 631.2 mmol g−1 h−1 and high Faraday efficiency (79.8%) in H‐type cell. The remarkable 2e− ORR electrocatalytic performance of N‐Cx catalysts is associated with the N species and N content in the materials. Density functional theory calculations suggest carbon atoms adjacent to graphitic N are the main catalytic sites and exhibit a smaller activation energy, which are more responsible than those in pyridinic N and pyrrolic N doped carbon materials. Furthermore, the N‐C800 catalyst demonstrates an effective antibacterial performance for marine bacteria in simulated seawater. This work provides a new insight for electro‐generation of H2O2 in neutral electrolyte and triggers a great promise in ocean‐energy application.
Performance evaluation of the ORYZA_V3 model for rice growth and organ nitrogen content
Authors: Yu Jin , Ren Zhipeng , Li Honghu , Tan Na 
Published: September 2023

AbstractThe ORYZA version 3 (ORYZA_V3) model is commonly used for simulating paddy rice (Oryza sativa L.) growth. However, few studies have investigated the performance of the ORYZA_V3 model for predicting in‐season crop growth variables, especially for the nitrogen (N) translocation process among paddy rice organs in the whole growing season, that is, from sowing to harvest stages. This study examines the prediction accuracy of seven paddy rice growth variables based on one cropping season of field experiment. The results show that (1) the ORYZA_V3 model generates accurate prediction of paddy rice leaf area index, above‐ground biomass, and yield, where root mean square errors (RMSEs) are 0.98–1.11 ha/ha, 2360.5–3028.7 kg/ha, and 492.9–515.2 kg/ha, respectively, coefficient of determination (R2) ranges from 0.76 to 1.00, and index of agreement (D‐index) ranges from 0.50 to 0.98. (2) The prediction accuracy of paddy rice leaf and stem N contents is acceptable, where RMSE ranges from 0.0017 to 0.0041 kg/kg, R2 ranges from 0.82 to 0.96, and D‐index ranges from 0.93 to 0.98. (3) The ORYZA_V3 model cannot generate accurate prediction of rice root and panicle N contents, where RMSE ranges from 0.0007 to 0.0022 kg/kg, R2 ranges from 0.01 to 0.20, and D‐index ranges from 0.17 to 0.65. The structural uncertainty in the N translocation module may be a major reason for the unacceptable crop model prediction. This study demonstrated the substantial potential of the ORYZA_V3 model for simulating and understanding paddy rice growth and organ N translocation.
Von Benzoborirenen zu Benzoborol‐basierenden 1,2‐Diiminen und antiaromatischen Boroldiiden
Authors: Liu Xiaocui , Heinz Myron , Wang Junyi , Tan Leibo , Holthausen Max C. , Ye Qing 
Published: September 2023

AbstractDie Reaktion von Benzoborirenen mit einem Äquivalent Isocyanid führt zu benzolkondensierten Boreten mit einer Iminfunktion, während die Reaktion mit zwei Äquivalenten Isocyanid 2,3‐Dihydro‐2,3‐diiminoborole mit perfekter Regioselektivität ergibt. Die Isocyanid‐Doppelinsertionsprodukte stellen einen neuen Typ von 1,2‐Diiminen mit einem Benzoborol‐Rückgrat dar. Die Reduktionschemie des Benzoborol‐basierenden 1,2‐Diimins wurde untersucht. Die Reduktion mit einem und zwei Elektronen ermöglicht die Isolierung und vollständige Charakterisierung eines radikalischen Anions bzw. eines Dianions. Im Gegensatz zu gewöhnlichen Borolen, die durch die Aufnahme von zwei Elektronen aromatisch werden sollten, wird der antiaromatische Charakter des Benzoborol‐Rückgrats bei der Reduktion verstärkt und stellt somit ein seltenes Beispiel für ein antiaromatisches Borol‐Dianion dar. Detaillierte quantenchemische Berechnungen liefern eine Erklärung für die beobachtete Regioselektivität und die elektronische Struktur der reduzierten Borol‐Diimin‐Spezies.
Chemoenzymatic Synthesis of Cylindrocyclophanes A and F and Merocyclophanes A and D
Authors: Chen Kai‐Yue , Wang Hua‐Qi , Yuan Ye , Mou Shu‐Bin , Xiang Zheng 
Published: September 2023

AbstractIncorporating enzymatic reactions into natural product synthesis can significantly improve synthetic efficiency and selectivity. In contrast to the increasing applications of biocatalytic functional‐group interconversions, the use of enzymatic C−C bond formation reactions in natural product synthesis is underexplored. Herein, we report a concise and efficient approach for the synthesis of [7.7]paracyclophane natural products, a family of polyketides with diverse biological activities. By using enzymatic Friedel–Crafts alkylation, cylindrocyclophanes A and F and merocyclophanes A and D were synthesized in six to eight steps in the longest linear sequence. This study demonstrates the power of combining enzymatic reactions with contemporary synthetic methodologies and provides opportunities for the structure–activity relationship studies of [7.7]paracyclophane natural products.
Multivariate Hydrogen‐Bonded Organic Frameworks with Tunable Permanent Porosities for Capture of a Mustard Gas Simulant
Authors: Yu Gao Xiang , Wang Yao , Wu Enyu , Wang Chen , Li Bin , Zhou Yaming , Chen Banglin , Li Peng 
Published: September 2023

AbstractPrecise synthesis of topologically predictable and discrete molecular crystals with permanent porosities remains a long‐term challenge. Here, we report the first successful synthesis of a series of 11 isoreticular multivariate hydrogen‐bonded organic frameworks (MTV‐HOFs) from pyrene‐based derivatives bearing −H, −CH3, −NH2 and −F groups achieved by a shape‐fitted, π–π stacking self‐assembly strategy. These MTV‐HOFs are single‐crystalline materials composed of tecton, as verified by single‐crystal diffraction, nuclear magnetic resonance (NMR) spectra, Raman spectra, water sorption isotherms and density functional theory (DFT) calculations. These MTV‐HOFs exhibit tunable hydrophobicity with water uptake starting from 50 to 80 % relative humidity, by adjusting the combinations and ratios of functional groups. As a proof of application, the resulting MTV‐HOFs were shown to be capable of capturing a mustard gas simulant, 2‐chloroethyl ethyl sulfide (CEES) from moisture. The location of different functional groups within the pores of the MTV‐HOFs leads to a synergistic effect, which resulted in a superior CEES/H2O selectivity (up to 94 %) compared to that of the HOFs with only pure component and enhanced breakthrough performance (up to 4000 min/g) when compared to benchmark MOF materials. This work is an important advance in the synthesis of MTV‐HOFs, and provides a platform for the development of porous molecular materials for numerous applications.
Influence of rice husk ash and wollastonite on plasticizer migration in polyvinyl chloride system
Authors: Sadykova Dilyara F. , Budylin Nikita Yu. , Nikulova Uliana V. , Shapagin Aleksey V. , Gotlib Elena M. 
Published: September 2023

AbstractThe influence of rice hull ash and wollastonite on the migration problem of plasticizer EDOS from polyvinyl chloride (PVC) has been studied. The methods of optical interferometry, IR spectroscopy, viscometry, SEM and EDX were used to study the mutual solubility and diffusion mobility in the PVC‐EDOS system in the presence fillers and without them, as well as the phase structure of plasticized filled systems. It is shown that in a fully compatible PVC‐EDOS system, a diffusion mixing mechanism is observed, and the interdiffusion coefficients increase from 10−8 to 10−6 (cm2/s) with increasing plasticizer concentration. The introduction of a dispersed filler somewhat reduces the interdiffusion coefficients. The sorption of the plasticizer on the surface of the dispersed filler has been established, which leads to a decrease in the migration of EDOS from the composition. It was found that the introduction of wollastonite leads to a smaller increase in viscosity and an improvement in the technological properties of the system. And the introduction of environmentally neutral rice husk ash reduces the migration of the plasticizer and improves the stability of the composition during operation, which also has a positive effect on the environmental friendliness of this system.
Überlegungen zum Übergang vom linearen zum parabolischen Zeitgesetz der Oxydation eines Metalls zu einem Oxid mit Metalldefizit
Authors: Wagner Carl 
Published: September 2023

AbstractFür den Übergang vom linearen zum parabolischen Zeitgesetz der Oxydation eines Metalls zu einem Oxid mit Metalldefizit werden Gleichungen abgeleitet. Es wird angenommen, daß im Anfangsstadium die Reaktion O2 (g) = 2O (ad) an der äußeren Oxidoberfläche zeitbestimmend ist. Die Geschwindigkeit dieser Reaktion wird als abhängig vom jeweiligen Metalldefizit δ”︁ in der Oxidoberfläche angesetzt. Falls die Geschwindigkeit der Sauerstoffdissoziation umgekehrt proportional δ”︁ ist und das Metalldefizit des Oxids im Gleichgewicht mit der Metallphase klein gegenüber dem Metalldefizit im Gleichgewicht mit der Gasphase ist, so ergibt sich in einem Übergangsgebiet das Zeitgesetz: Schichtdicke ∼ (Zeit)2/3, während Gültigkeit des linearen Zeitgesetzes erst bei sehr kleinen, physikalisch möglicherweise nicht mehr sinnvollen Schichtdicken zu erwarten ist.Ferner werden Gleichungen zur Berechnung der Austauschgeschwindigkeit der Reaktion O2(g) = 2O(ad) aus mäßig großen Abweichungen vom parabolischen Zeitgesetz im Anfangsstadium der Oxydation eines Metalls mitgeteilt.
Adaptation of an rVSV Ebola vaccine purification process for rapid development of a viral vaccine candidate for SARS‐CoV‐2
Authors: Kuczynski Laura E. , Shallow James R. , Watson Matthew P. , Homsy Michael L. , Svab Thomas , Gruber Ashley , Rustandi Richard R. , Hu Jianfang , Winters Michael A. 
Published: September 2023

AbstractDuring the COVID‐19 pandemic, long development timelines typically associated with vaccines were challenged. The urgent need for a vaccine provided a strong driver to reevaluate existing vaccine development approaches. Innovative approaches to regulatory approval were realized, including the use of platform‐based technology. In collaboration with the International AIDS Vaccine Initiative, Inc. (IAVI), Merck & Co., Inc., Rahway, NJ, USA rapidly advanced an investigational SARS‐CoV‐2 vaccine based on the recombinant vesicular stomatitis virus (rVSV) platform used for the Ebola vaccine ERVEBO (rVSV∆G‐ZEBOV‐GP). An rVSV∆G‐SARS‐CoV‐2 vaccine candidate was generated using the SARS‐CoV‐2 spike protein to replace the VSV G protein. The purification process development for this vaccine candidate was detailed in this paper. Areas were highlighted where the ERVEBO platform process was successfully adopted and where additional measures were needed for the SARS‐CoV‐2 vaccine candidate. These included: (i) endonuclease addition directly into the bioreactor prior to harvest, (ii) inclusion of a core‐shell chromatography step for improved purification, and (iii) incorporation of a terminal, sterile filtration step to eliminate the need for aseptic, closed processing. High infectious virus titers were achieved in Phase 3 clinical drug substance (>108 PFU mL−1), and process consistency was demonstrated across four large scale batches that were completed in 6 months from clone selection.
Chemical Composition and Evaluation of Antibacterial, Antibiofilm, and Mutagenic Potentials of a Propolis Sample from the Atlantic Forest of Midwest Brazil
Authors: da Silva Mirowski Patrick , da Silva Coutinho de Araújo Bueno Gabriela , Elsner Rodrigues Vitória , Fernandes Barros Thayná , da Costa Alberto Grangeiro , Yoshida Nídia Cristiane , da Rosa Guterres Zaira , Trentin Danielle Silva , Rodrigues Garcez Fernanda 
Published: September 2023

AbstractSixteen triterpenoids with various skeletal types, five phenylpropanoid derivatives, and two flavonoids were isolated from a propolis sample produced by Apis mellifera collected in the Atlantic Forest of Midwest Brazil. Among these compounds, six triterpenes, namely 3β,20R‐dihydroxylanost‐24‐en‐3‐yl‐palmitate, (23E)‐25‐methoxycycloartan‐23‐en‐3‐one, 24‐methylenecycloartenone, epi‐lupeol, epi‐α‐amyrin, and epi‐β‐amyrin are being reported for the first time in propolis, while cycloartenone, (E)‐cinnamyl benzoate, and (E)‐cinnamyl cinnamate are new findings in Brazilian propolis. The presence of cycloartane‐ and lanostane‐type triterpenoids, the latter being a class of compounds of restricted distribution in propolis worldwide, has not been reported in propolis from Midwest Brazil until now. The ethyl acetate phase obtained from the ethanol extract was effective in preventing biofilm formation by Staphylococcus aureus, with an inhibition rate of about 96 % at 0.5 mg.mL−1, and with quercetin isolated as one of its active constituents. In contrast, the hexane phase exhibited notable antibacterial activity against Pseudomonas aeruginosa, inhibiting bacterial growth by 92 % at 0.5 mg.mL−1; however, none of the triterpenoids isolated from this phase proved active against this pathogen. The ethanol extract was neither toxic nor mutagenic at the concentrations tested, as determined by the in vivo SMART assay on Drosophila melanogaster, even under conditions of high metabolic activation.
Acute abdominal pain due to atypical bilateral adrenal infarction in acute myeloid leukemia with alterations related to myelodysplasia: A case report
Authors: Hirata Risa , Tago Masaki , Yamashita Shun , Yamamoto Satsuki , Yaita Shizuka , Hirakawa Yuka , Ono Maiko , Yamashita Shu‐ichi 
Published: September 2023

Key Clinical MessageAcute myeloid leukemia (AML) can cause acute abdomen following adrenal insufficiency or adrenal infarction. Therefore, when diffusely enlarged adrenal glands and adrenal insufficiency of unknown cause are seen in a patient presenting with acute abdomen, adrenal infarction due to AML, or other hematologic diseases should be ruled out.AbstractA 49‐year‐old man developed acute abdominal pain following adrenal insufficiency and was diagnosed with acute myeloid leukemia (AML) with myelodysplasia‐related changes. Because AML can cause acute abdominal pain due to adrenal infarction following adrenal insufficiency, a patient with these conditions should be ruled out adrenal infarction due to AML or other hematologic diseases.
Electrochemical Approach for Advanced Flow Reactors via Additive Manufacturing of High Surface Area Ti‐6Al‐4V Anode
Authors: Reza Bilesan Mohammad , Yazdani Meghdad , Luneau Mathilde , Montserrat‐Sisó Gerard , Wickman Björn , Repo Eveliina 
Published: September 2023

AbstractElectrochemical processes use expensive noble metal‐based anodes which limit industrial implementation. In this study, a noble‐metal‐free Ti‐6Al‐4V anode is introduced in an advanced flow reactor. We demonstrate that the 3D additively manufactured electrode can provide a more projected surface area and facilitate anodic reactions under controlled electrolyte conditions. Alkaline NaOH and KOH electrolytes act as anodic electrolytes that are toxic compounds‐free and enable corrosion control. Impedance and voltammetry responses to electrochemical reactions are studied. The electrochemical active surface area of the 4 rods scaffold geometry is 42 times higher than a flat plate anode. Therefore, improved charge transfer is achieved in the flow reactor incorporating the 3D Ti‐6Al‐4V electrode due to the increased surface area and wettability. The structure of almost non‐conductive passivation on a flat plate anode is changed to unstable passivation due to the 3D scaffold structure. This enables effective charge transfer of 911 mA cm−2 at higher potentials up to 5 V for 1.5 m KOH in a non‐flow condition. Furthermore, a 1 m KOH solution delays metal ion dissolution from the anode surface by acting as a corrosion‐controlling medium. 3D Ti‐6Al‐4V is likely to be an affordable alternative anode in alkaline environmentally friendly electrochemical applications.
A‐Band assembly in avian skeletal muscles observed with super‐resolution microscopy
Authors: Welchons Matthew , Wang Jushuo , Fan Yingli , Sanger Jean M. , Sanger Joseph W. 
Published: September 2023

AbstractMyofibrils in vertebrate skeletal muscle are organized in aligned arrays of filaments formed from multiple protein components. Despite considerable information describing individual proteins, how they assemble de novo into mature myofibrils is still a challenge. Studies in our lab of sarcomeric protein localization during myofibril assembly led us to propose a three‐step progression: premyofibrils to nascent myofibrils, culminating in mature myofibrils. Premyofibrils, forming at the spreading edges of muscle cells, are composed of minisarcomeres containing small bands of non‐muscle myosin II filaments alternating with muscle‐specific α‐actinin Z‐Bodies attached to barbed ends of actin filaments, establishing bipolar F‐actin arrangements in sarcomeres. Assembly of nascent myofibrils occurs with addition of muscle‐specific myosin II, F‐actin, titin, and the alignment of Z‐Bodies in adjacent fibrils to form beaded Z‐Bands. Muscle‐specific myosin II filaments in nascent myofibrils appear in an overlapping arrangement when viewed with wide‐field and confocal microscopes. In mature myofibrils, non‐muscle myosin II is absent, and M‐Band proteins localize to the muscle myosin II filaments, aiding their alignment by cross‐linking them into A‐Bands. Super‐resolution microscopy (SIM and STED) revealed muscle myosin II in mini‐A‐Bands in nascent myofibrils. In contrast to previous reports that vertebrate muscle myosin thick filaments form at their final 1.6 μm lengths, mini‐A‐Bands are first detected at a length of about 0.4 μm, and gradually increase four‐fold in length to 1.6 μm in mature myofibrils. These new discoveries in avian skeletal muscle cells share a common characteristic with invertebrate muscles where some A‐Bands can grow to lengths reaching 25 μm.
Head and neck exam practices of dental professionals
Authors: Glass Sarah , Brown Vanessa , Carrico Caroline , Madurantakam Parthasarathy 
Published: September 2023

AbstractObjectivePeriodic examination of the head and neck includes screening for oral cancer, which is largely performed in dental offices by vigilant oral healthcare providers. The aim of this study was to assess practice patterns among Virginia dentists in performing head and neck exams and the referral rates of biopsies after completion of head and neck exams. We hypothesized that not all dentists perform head and neck exams and there is a difference between dentists who refer patients for a biopsy and those that perform biopsies.MethodsGeneral dentists and dental specialists who are members of the Virginia Dental Association were invited to participate in a cross‐sectional survey study through REDCap to self‐report their head and neck exam protocols.ResultsA total of 224 providers completed the survey. The majority of respondents were general dentists with more than 20 years in practice, who practice in a private setting, and see more than 10 patients in a day. All respondents stated they perform intraoral examinations, but 10 respondents stated they do not perform extraoral examinations. Nearly a third of respondents reported doing their own biopsies.ConclusionsAlthough only 8.5% of oral healthcare providers in Virginia responded to our survey, respondents are following the 2017 ADA good practice statement by providing their patients with head and neck exams to screen for oral cancer. Additional education pertaining to extraoral anatomy, malignant transformation of oral potentially malignant disorders, and pathology procedures may be helpful to clinicians.
Genomic and transcriptomic analyses reveal polygenic architecture for ecologically important traits in aspen (Populus tremuloides Michx.)
Authors: Riehl Jennifer F. L. , Cole Christopher T. , Morrow Clay J. , Barker Hilary L. , Bernhardsson Carolina , Rubert‐Nason Kennedy , Ingvarsson Pär K. , Lindroth Richard L. 
Published: September 2023

AbstractIntraspecific genetic variation in foundation species such as aspen (Populus tremuloides Michx.) shapes their impact on forest structure and function. Identifying genes underlying ecologically important traits is key to understanding that impact. Previous studies, using single‐locus genome‐wide association (GWA) analyses to identify candidate genes, have identified fewer genes than anticipated for highly heritable quantitative traits. Mounting evidence suggests that polygenic control of quantitative traits is largely responsible for this “missing heritability” phenomenon. Our research characterized the genetic architecture of 30 ecologically important traits using a common garden of aspen through genomic and transcriptomic analyses. A multilocus association model revealed that most traits displayed a highly polygenic architecture, with most variation explained by loci with small effects (likely below the detection levels of single‐locus GWA methods). Consistent with a polygenic architecture, our single‐locus GWA analyses found only 38 significant SNPs in 22 genes across 15 traits. Next, we used differential expression analysis on a subset of aspen genets with divergent concentrations of salicinoid phenolic glycosides (key defense traits). This complementary method to traditional GWA discovered 1243 differentially expressed genes for a polygenic trait. Soft clustering analysis revealed three gene clusters (241 candidate genes) involved in secondary metabolite biosynthesis and regulation. Our work reveals that ecologically important traits governing higher‐order community‐ and ecosystem‐level attributes of a foundation forest tree species have complex underlying genetic structures and will require methods beyond traditional GWA analyses to unravel.