bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Organodiselenide Comediator to Facilitate Sulfur Redox Kinetics in Lithium–Sulfur Batteries with Encapsulating Lithium Polysulfide Electrolyte
Authors: Liu Yiran , Zhao Meng , Hou Li‐Peng , Li Zheng , Bi Chen‐Xi , Chen Zi‐Xian , Cheng Qian , Zhang Xue‐Qiang , Li Bo‐Quan , Kaskel Stefan , Huang Jia‐Qi 
Published: May 2023

AbstractLithium–sulfur (Li–S) batteries are regarded as promising high‐energy‐density energy storage devices. However, the cycling stability of Li–S batteries is restricted by the parasitic reactions between Li metal anodes and soluble lithium polysulfides (LiPSs). Encapsulating LiPS electrolyte (EPSE) can efficiently suppress the parasitic reactions but inevitably sacrifices the cathode sulfur redox kinetics. To address the above dilemma, a redox comediation strategy for EPSE is proposed to realize high‐energy‐density and long‐cycling Li–S batteries. Concretely, dimethyl diselenide (DMDSe) is employed as an efficient redox comediator to facilitate the sulfur redox kinetics in Li–S batteries with EPSE. DMDSe enhances the liquid–liquid and liquid–solid conversion kinetics of LiPS in EPSE while maintains the ability to alleviate the anode parasitic reactions from LiPSs. Consequently, a Li–S pouch cell with a high energy density of 359 Wh kg−1 at cell level and stable 37 cycles is realized. This work provides an effective redox comediation strategy for EPSE to simultaneously achieve high energy density and long cycling stability in Li–S batteries and inspires rational integration of multi‐strategies for practical working batteries.
Eine chemisch‐proteomische Strategie identifiziert Inhibitoren der Lipoat‐Wiederverwertung in Bakterien und Parasiten
Authors: Dienemann Jan‐Niklas , Chen Shu‐Yu , Hitzenberger Manuel , Sievert Montana L. , Hacker Stephan M. , Prigge Sean T. , Zacharias Martin , Groll Michael , Sieber Stephan A. 
Published: May 2023

AbstractDie Entwicklung neuer Antiinfektiva erfordert innovative Strategien zur gezielten Ausnutzung von Stoffwechselwegen in Krankheitserregern, die in menschlichen Zellen abwesend sind. Basierend auf diesem Prinzip haben wir Hemmstoffe der Liponsäure (LA) Wiederverwertung entwickelt, einem entscheidenden Stoffwechselweg für das Überleben von LA‐auxotrophen Bakterien und Parasiten, der jedoch in menschlichen Zellen nicht essentiell ist. Eine auf LA basierende Sonde wurde selektiv über die Lipoatproteinligase (LPL) auf Substratproteine in intakten Zellen übertragen, und ihre Bindungsstellen wurden mittels Massenspektrometrie bestimmt. Die Intensität der Markierung mit der Sonde diente als Maß für die Aktivität von LPL und ermöglichte intrazelluläre Selektion für zellpermeable LPL‐Hemmer. Das Testen einer vorselektierten Substanzbibliothek ergab zwei Substratanaloga (LAMe und C3) als Hemmstoffe, die durch Bindungsstudien und Co‐Kristallographie weiter validiert wurden. Bemerkenswert ist, dass LAMe eine geringe Toxizität in menschlichen Zellen aufwies und eine Abtötung von Plasmodium falciparum in Erythrozyten mit einem EC50‐Wert von 15 μM erreichte, was diesen Stoff zum bisher wirksamsten LPL‐Hemmer macht, der jeher berichtet wurde.
Elongated Bacterial Pili as a Versatile Alignment Medium for NMR Spectroscopy
Authors: Nouri Sirine , Boudet Julien , Dreher‐Teo Hiang , Allain Frédéric H.‐T. , Glockshuber Rudi , Salmon Loïc , Giese Christoph 
Published: May 2023

AbstractIn NMR spectroscopy, residual dipolar couplings (RDCs) have emerged as one of the most exquisite probes of biological structure and dynamics. The measurement of RDCs relies on the partial alignment of the molecule of interest, for example by using a liquid crystal as a solvent. Here, we establish bacterial type 1 pili as an alternative liquid‐crystalline alignment medium for the measurement of RDCs. To achieve alignment at pilus concentrations that allow for efficient NMR sample preparation, we elongated wild‐type pili by recombinant overproduction of the main structural pilus subunit. Building on the extraordinary stability of type 1 pili against spontaneous dissociation and unfolding, we show that the medium is compatible with challenging experimental conditions such as high temperature, the presence of detergents, organic solvents or very acidic pH, setting it apart from most established alignment media. Using human ubiquitin, HIV‐1 TAR RNA and camphor as spectroscopic probes, we demonstrate the applicability of the medium for the determination of RDCs of proteins, nucleic acids and small molecules. Our results show that type 1 pili represent a very useful alternative to existing alignment media and may readily assist the characterization of molecular structure and dynamics by NMR.
Strategie zur Beschichtung von hydrophoben Nanopartikeln mit einer Doppelschicht für kolloidale Stabilität, Funktionalität und Oberflächenschutz in biologischen Medien
Authors: Schroter Alexandra , Arnau del Valle Carla , Marín María J. , Hirsch Thomas 
Published: May 2023

AbstractDie Oberflächenchemie von Nanopartikeln ist ein wichtiger Schritt auf dem Weg vom Partikeldesign zur Anwendung in biologisch relevanten Umgebungen. Hier wird eine auf einer Doppelschicht (Bilayer) basierende Strategie für die Oberflächenmodifikation von hydrophoben Nanopartikeln vorgestellt, die diesen eine ausgezeichnete kolloidale Stabilität in wässriger Umgebung und einen guten Schutz gegen Auflösung verleiht und gleichzeitig eine Oberflächenfunktionalisierung durch einfache Carbodiimid‐Kopplungschemie ermöglicht. Wir haben das herausragende Potenzial dieser Strategie anhand von Upconversion‐Nanopartikeln (UCNPs) demonstriert, die ursprünglich mit Oleat beschichtet und daher nur in organischen Lösungsmitteln dispergierbar waren. Die hydrophobe Oleatbeschichtung bleibt dabei erhalten und bildet nach Zugabe von weiterem Oleat eine Doppelschicht. Dieser Ansatz schützt vor Lumineszenzlöschung durch Wassermoleküle, während der Einbau zusätzlicher Moleküle mit Aminogruppen in die Doppelschicht deren kolloidale Stabilität erhöht und die Funktionalisierbarkeit erleichtert. Die biologische Relevanz des Ansatzes wurde durch die Verwendung von zwei Modellfarbstoffen gezeigt, einem Photosensibilisator und einer Stickoxid‐ (NO−) Sonde, die, wenn sie an die Oberfläche der UCNPs gebunden sind, ihre Funktionalität zur Erzeugung von Singulett‐Sauerstoff bzw. zum Nachweis von intrazellulärem NO beibehalten. Wir stellen eine einfache und schnelle Methode zum Schutz und zur Funktionalisierung von anorganischen Nanopartikeln in biologischen Medien vor, die für die kontrollierte Oberflächengestaltung von Nanomaterialien für theranostische Anwendungen wichtig ist.
Direct Observation of the Ethyl Radical in the Pyrolysis of Ethane
Authors: Genossar‐Dan Nadav , Atlas Sharona , Fux Dana , Har Lavan Shani , Zamir Uri , Rozenberg Illya , Lam Nguyen Thanh , Hemberger Patrick , Baraban Joshua H. 
Published: May 2023

AbstractWe report the first direct detection of ethyl radical in the pyrolysis of ethane. Observation of this vital intermediate was made possible in this extremely reactive environment by the use of a microreactor coupled with synchrotron radiation and photoelectron photoion coincidence (PEPICO) spectroscopy, despite its short lifetime and low concentration. Together with ab‐initio master equation‐calculated rates and fully coupled computational fluid dynamics simulations, our measurements show that even under the low pressures and short residence times in our experiment, ethyl formation can only be explained by bimolecular reactions; the most important is the catalytic attack of ethane by H atoms, which are then regenerated by decomposition of the nascent ethyl radicals. Our results complete the observation of all hypothesized intermediates in this industrially important process and highlight the need for further studies under additional conditions using similar methods to improve existing models and optimize process chemistries.
Emergence of a Lanthanide Chalcogenide as an Ideal Scintillator for a Flexible X‐ray Detector
Authors: Yang Liangwei , Li Zhenyu , He Linwei , Sun Jiayu , Wang Junren , Wang Yumin , Li Ming , Zhu Zibin , Dai Xing , Hu Shu‐Xian , Zhai Fuwan , Yang Qian , Tao Ye , Chai Zhifang , Wang Shuao , Wang Yaxing 
Published: May 2023

AbstractThe development of high‐performance X‐ray detectors requires scintillators with fast decay time, high light yield, stability, and X‐ray absorption capacity, which are difficult to achieve in a single material. Here, we present the first example of a lanthanide chalcogenide of LaCsSiS4 : 1 % Ce3+ that simultaneously integrates multiple desirable properties for an ideal scintillator. LaCsSiS4 : 1 % Ce3+ demonstrates a remarkably low detection limit of 43.13 nGyair s−1 and a high photoluminescence quantum yield of 98.24 %, resulting in a high light yield of 50480±1441 photons/MeV. Notably, LaCsSiS4 : 1 % Ce3+ exhibits a fast decay time of only 29.35±0.16 ns, making it one of the fastest scintillators among all lanthanide‐based inorganic scintillators. Furthermore, this material shows robust radiation and moisture resistance, endowing it with suitability for chemical processing under solution conditions. To demonstrate the X‐ray imaging capacity of LaCsSiS4 : 1 % Ce3+, we fabricated a flexible X‐ray detector that achieved a high spatial resolution of 8.2 lp mm−1. This work highlights the potential of lanthanide chalcogenide as a promising candidate for high‐performance scintillators.
NIR Clusteroluminescence of Non‐conjugated Phenolic Resins Enabled by Through‐Space Interactions
Authors: Zhang Ziteng , Zhang Jianyu , Xiong Zuping , Chu Bo , Zhang Chengjian , Sun Jing Zhi , Zhang Haoke , Zhang Xing‐Hong , Tang Ben Zhong 
Published: May 2023

AbstractClusteroluminescence (CL) and through‐space interactions (TSIs) of non‐conjugated molecules have drawn more attention due to their unique photophysical behaviors that are different from largely conjugated luminogens. However, achieving red and even near‐infrared (NIR) emission from such systems is still challenging due to the intrinsic drawbacks of non‐conjugated molecules and the lack of theories for structure–property relationships. In this work, six phenolic resins are designed and synthesized based on two molecule‐engineering strategies: increasing the number of TSIs units and introducing electron‐donating/‐withdrawing groups. All phenolic resins are verified as luminogens with CL property (CLgens), and the first example of CLgens with NIR emission (maximum emission wavelength ≥680 nm) and high absolute quantum yield (47 %) is reported. Experiments and theoretical analysis reveal that two TSIs types, through‐space locally excited state and through‐space charge transfer state, play essential roles in achieving CL from these non‐conjugated polymers, which could be manipulated via changing structural conformation and electron density or altering electron transition behaviors. This work not only provides an approach to manipulate TSIs and CL of non‐conjugated polymers but also endows commercially available phenolic resins with high practical value as luminescence materials.
O2 permeability of additively manufactured silicone membranes
Authors: Gort Marcel , Morlec Elodie , Gwerder Damian , Schuetz Philipp , Camenzind Martin , Meboldt Mirko 
Published: May 2023

AbstractSilicone is already widely used in biomedical applications thanks to its outstanding properties. Now additive manufacturing (AM) of silicone can achieve submillimeter details and is offered by SpectroPlast AG as a service. AM of silicone is particularly interesting for designs with complex internal structures such as bioreactors or oxygenators where oxygen permeability is important. Therefore, the oxygen permeability of additively manufactured silicone membranes made from TrueSil (SpectroPlast AG) is studied. Measurements are performed with two membrane thicknesses (0.5 and 0.8 mm) and four different Shore hardnesses (20A, 35A, 50A, and 60A) at 15, 20, and 25°C. The oxygen increase due to diffusion through the membrane is recorded In a cup sealed by the membrane. The oxygen permeability decreases with increasing Shore hardness. TrueSil 20A is comparable to ELASTOSIL® Film (Wacker Chemie AG) in terms of oxygen permeability. However, there is a percentage difference of approximately 27% between the measured permeability of ELASTOSIL® and the data from the supplier. Membrane thickness does not affect permeability, but the Shore hardness affects the thickness. Membranes with Shore hardness 20A or 35A are manufactured over 0.1 mm thicker than designed, while for Shore hardness 50A and 60A the deviation from the design is less than 0.04 mm.
Educator perspectives on non‐technical, discipline‐independent skill acquisition: An international, qualitative study
Authors: Byram Jessica N. , Van Nuland Sonya E. , Harrell Kelly M. , Mussell Jason C. , Cornwall Jon 
Published: May 2023

AbstractGross anatomy education utilizing body donors and human specimens assists the acquisition of non‐traditional, discipline‐independent skills (NTDIS) such as teamwork, communication, and leadership. Alterations to anatomy curricula, such as those resulting from the COVID‐19 pandemic, likely impact NTDIS acquisition, yet how this manifests is unclear. This study, therefore, explored anatomy educator perspectives on NTDIS acquisition as a response to changes in teaching delivery. Gross anatomy educators across different countries were recruited and took part in one‐on‐one, semi‐structured interviews that were audio recorded and transcribed. Data were analyzed using the framework method. Basic statistical analyses were performed on demographic and categorical data. Fifteen educators from five continents were interviewed (average length 32.5 min, range 17–51 min). Educator experience ranged from 0–4 years (n = 3) to 20+ years (n = 7). Most taught using dissection (n = 14) with prosection use (n = 13) also common. Themes relating to NTDIS included expected content (respect for donors, teamwork, communication skills, humanistic values), assessable content, assessment challenges, and impact of curriculum changes; NTDIS unique to anatomy education included cultural, ethical, and social considerations around dead bodies, including boundaries, and social norms. Informed by curriculum alterations during the COVID‐19 pandemic, this first empirical study of anatomy educator perspectives on NTDIS highlights the potentially adverse educational impacts of decreased interaction with body donors and human specimens on NTDIS acquisition and difficulties with NTDIS assessment. Findings support gross anatomy education as unique in providing NTDIS that cannot easily be replicated elsewhere. Recommendations around NTDIS‐specific educator competencies and promoting NTDIS are provided.
What People Learn About Drinking Water Disruptions From Local Newspapers
Authors: Otero Catherine E. , Bell Emily V. , Das Sarwari , Mullin Megan 
Published: May 2023

Key TakeawaysNews coverage is an important avenue for the public to learn about infrastructure vulnerabilities.Analysis of 10 years of newspaper coverage of disruptions to drinking water service in North Carolina reveals low frequency of reporting about such events and no trend over time.Hurricanes and weather‐related events accounted for a small portion of reported disruptions.Newspaper coverage can help build public and political support for actions to reduce water system vulnerability.
Pilot Plant Keeps Aurora Water Ahead of the Curve
Authors: Bourdeau Melina 
Published: May 2023

Key TakeawaysNo sooner had Aurora (Colo.) Water established its new pilot plant than the COVID‐19 pandemic disrupted its introduction to testing the utility's water treatment processes.Once put into action, Mini‐Binney, as the pilot plant is called, became an invaluable tool for numerous projects to advance and improve the treatment plant's operations.The pilot plant allows for research of innovative treatment methods without affecting full‐scale treatment or putting public health at risk.
Cancer incidence among incarcerated and formerly incarcerated individuals: A statewide retrospective cohort study
Authors: Aminawung Jenerius A. , Soulos Pamela R. , Oladeru Oluwadamilola T. , Lin Hsiu‐Ju , Gonsalves Lou , Puglisi Lisa B. , Hassan Sirad , Richman Ilana B. , Wang Emily A. , Gross Cary P. 
Published: May 2023

AbstractBackgroundCancer incidence among individuals with incarceration exposure has been rarely studied due to the absence of linked datasets. This study examined cancer incidence during incarceration and postincarceration compared to the general population using a statewide linked cohort.MethodsWe constructed a retrospective cohort from a linkage of state tumor registry and correctional system data for Connecticut residents from 2005 to 2016, and identified cancers diagnosed during and within 12 months postincarceration. We estimated incidence rates (including for screen‐detectable cancers) and calculated the standardized incidence ratios (SIR) for the incarcerated and recently released populations, relative to the general population. We also examined cancer incidence by race and ethnicity within each group.ResultsCancer incidence was lower in incarcerated individuals (SIR = 0.64, 95% CI 0.56–0.72), but higher in recently released individuals (SIR = 1.34, 95% CI 1.23–1.47) compared with the general population, and across all race and ethnic strata. Similarly, nonscreen‐detectable cancer incidence was lower in incarcerated and higher in recently released populations compared to the general population. However, non‐Hispanic Black individuals had elevated incidence of screen‐detectable cancers compared with non‐Hispanic White individuals across all three populations (incarcerated, SIR = 1.66, 95% CI 1.03–2.53; recently released, SIR = 1.83, 95% CI 1.32–2.47; and general population, SIR = 1.18, 95% CI 1.16–1.21).ConclusionCompared with the general population, incarcerated persons have a lower cancer incidence, whereas recently released persons have a higher cancer incidence. Irrespective of incarceration status, non‐Hispanic Black individuals have a higher incidence of screen‐detectable cancers compared with non‐Hispanic White individuals. Supplemental studies examining cancer screening and diagnoses during incarceration are needed to discern the reasons for observed disparities in incidence.
Direct Alkylative Amination Using 1‐Allylsilatrane**
Authors: Raveenthrarajan David , Satkunarajah Thershan , Kostiuk Brooklyn A. , Adler Marc J. 
Published: May 2023

AbstractHomoallylic amines prepared via addition of allylsilanes often require preformed imine substrates, metal catalysts, fluoride activators, or use of protected amines. In this metal‐free, air‐ and water‐tolerant procedure, aromatic aldehyde and aniline substrates undergo direct alkylative amination using easily accessible 1‐allylsilatrane.
Oxidative NHC Catalysis: An Unconventional Tool for Macrocyclic Oligoesters Synthesis
Authors: Bottin Marco , Di Carmine Graziano , Bortolini Olga , De Risi Carmela , Bertoldo Monica , Cataldi Tommaso R. I. , Calvano Cosima D. , Massi Alessandro , Ragno Daniele 
Published: May 2023

AbstractThe application of N‐heterocyclic carbene (NHC) catalysis under highly diluted oxidative condition to the polycondensation of dialdehydes and diols is herein presented as an alternative, atom‐economical synthetic route to macrocyclic oligoesters (MCOs). The disclosed protocol paves the way to the straightforward access to MCOs, starting from commercial dialdehydes, avoiding the use of toxic diacyl chlorides, commonly employed in traditional MCOs synthetic processes. The method is totally metal‐free, takes place in the green Me‐THF solvent and requires the use of a fully recyclable quinone oxidant. The protocol versatility is confirmed by the employment of fossil‐based and bio‐based monomers such as 2,5‐diformylfuran (DFF), 2,5‐bis(hydroxymethyl)furan (BHMF), and isomannide, synthesizing a series of novel and known synthetically relevant macrocyclic oligoesters, fully characterized by NMR and MALDI‐TOF MS analysis, with product yields (51–86 %) comparable to those obtained by traditional synthetic routes. Finally, to emphasize the synthetic relevance of the target macrocycles, an entropically‐driven ring opening polymerization (ED‐ROP) key study has been performed, optimizing the organocatalyzed synthesis of poly(2,5‐furan‐dimethylene 2,5 furandicarboxylate) (PBHMF) with number‐average molecular weight up to 8200 g mol−1 and 66 % isolated yield.
A Patent Review on SARS Coronavirus Papain‐Like Protease (PLpro) Inhibitors
Authors: Brian Chia C. S. , Pheng Lim Siew 
Published: May 2023

AbstractThe severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) pandemic is an unprecedented global health emergency causing more than 6.6 million fatalities by 31 December 2022. So far, only three antiviral drugs have been granted emergency use authorisation or approved by the FDA. The SARS‐CoV‐2 papain‐like protease (PLpro) is deemed an attractive drug target as it plays an essential role in viral polyprotein processing and pathogenesis although no inhibitors have yet been approved. This patent review discusses coronavirus PLpro inhibitors reported in patents published between 1 January 2003 to 2 March 2023, giving an overview on the inhibitors that have generated commercial interest, especially amongst drug companies.
Investigating hardware and software aspects in the energy consumption of machine learning: A green AI‐centric analysis
Authors: Yokoyama André M. , Ferro Mariza , de Paula Felipe B. , Vieira Vitor G. , Schulze Bruno 
Published: June 2023

SummaryMuch has been discussed about artificial intelligence's negative environmental impacts due to its power‐hungry Machine Learning algorithms and emissions linked to this. This work discusses three direct impacts of AI on energy consumption associated with computation: the software, the hardware, and the energy source's carbon intensity. We present an up‐to‐date revision of the literature and assess it through experiments. For hardware, we evaluate the use of ARM‐based single‐board computers for training Machine Learning algorithms. An experimental setup was developed training the algorithm XGBoost and its cost‐effectiveness (energy consumption, acquisition cost, and execution time) compared with the X86‐64 and GPU architectures and other algorithms. In addition, the is estimated for these experiments and compared for three energy sources. The results show that this type of architecture can become a viable and greener alternative, not only for inference but also for training these algorithms. Finally, we evaluated low precision for training Random Forest algorithms with different datasets for the software aspect. Results show that is possible energy reduction with no decrease in accuracy.
Closo‐[B12H12]2− Derivatives with Polar Groups As Promising Building Blocks in Metal‐Organic Frameworks for Gas Separation
Authors: Chen Chuanxi , Chen Zhefeng , Zhang Mingzheng , Zheng Shisheng , Zhang Wentao , Li Shunning , Pan Feng 
Published: May 2023

AbstractEngineering design of metal organic frameworks (MOFs) for gas separation applications is nowadays a thriving field of investigation. Based on the recent experimental studies of dodecaborate‐hybrid MOFs as potential materials to separate industry‐relevant gas mixtures, we herein present a systematic theoretical study on the derivatives of the closo‐dodecaborate anion [B12H12]2−, which can serve as building blocks for MOFs. We discover that amino functionalization can impart a greater ability to selectively capture carbon dioxide from its mixtures with other gases such as nitrogen, ethylene and acetylene. The main advantage lies in the polarization effect induced by amino group, which favors the localization of the negative charges on the boron‐cluster anion and offers a nucleophilic anchoring site to accommodate the carbon atom in carbon dioxide. This work suggests an appealing strategy of polar functionalization to optimize the molecule discrimination ability via preferential adsorption.