bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bronchopleural fistula associated persistent pneumothorax in a patient recovering from COVID‐19 pneumonia: A case report
Authors: Regmi Milan , Karki Anurag , Shrestha Moon , Pathak Nibesh , Bhandari Sanjeev , Sharma Niraj Kumar , Pant Pankaj 
Published: September 2023

Key Clinical MessagePneumothorax and bronchopleural fistula (BPF) are potentially fatal complications that can occur in patients with COVID‐19 pneumonia. Early detection, appropriate treatment, and consideration of surgical intervention are necessary for optimum outcomes.AbstractIntroductionHealthcare professionals face complex challenges as a result of the rare emergence of pneumothorax among the variety of COVID‐19 complications, including severe viral pneumonia.Case HistoryA 57‐year‐old male with multiple comorbidities diagnosed with COVID‐19 pneumonia was admitted to our center and exhibited bilateral crepitations. During hospitalization, the patient developed right‐sided pneumothorax that persisted despite chest tube insertion was linked to the presence of BPF.DiscussionThe occurrence of pneumothorax in COVID‐19 patients is relatively rare risk factors for which are not yet fully understood, although smoking history may play a role. Conservative management is recommended for asymptomatic cases, while intercostal drainage is necessary for symptomatic patients. Surgical intervention may be required to manage the BPF in some instances.ConclusionPneumothorax and BPF are rare but potentially life‐threatening complications in patients recovering from COVID‐19 pneumonia. Early recognition, appropriate treatment, and consideration of surgical intervention are crucial for optimizing patient outcomes.
A Cobalt Nanocatalyst for the Hydrogenation and Oxidative Dehydrogenation of N‐heterocycles
Authors: Hu Yue , Li Xinmin , Liu Mingyang , Bartling Stephan , Lund Henrik , Rabeah Jabor , Dyson Paul J. , Beller Matthias , Jagadeesh Rajenahally V. 
Published: September 2023

AbstractCatalytic hydrogenation and oxidative dehydrogenation of N‐heterocycles to produce tetrahydroquinoline and quinoline derivatives are important reactions of particular importance in the agrochemical and pharmaceutical industries. Herein, we report earth‐abundant cobalt nanoparticles supported on hydroxyapatite (HAP) as an inexpensive and efficient catalyst for the hydrogenation and reverse oxidative dehydrogenation of N‐heterocycles. The optimal nanocatalyst exhibits excellent activity in both reactions for a wide range of substrates including (iso)quinolines, acridine, benzo[h]quinoline, quinoxaline and indole. Reactions proceed under relatively mild conditions without requiring any additives.
Reactive Reductive Species Participating Photodynamic Therapy for Cancer Treatment
Authors: Peng Jinlei , Feng Fude 
Published: September 2023

AbstractAlthough the development of oxidative photodynamic therapy (O‐PDT) based on reactive oxygen species (ROS) has led to great progress in cancer treatment, tumor hypoxia, cellular adaptation and intrinsic antioxidant defenses are still obstacles at this stage. Fortunately, with the discovery and development of reactive reductive species (RRS) in the PDT process, reductive PDT (R‐PDT) is receiving increasing research interest. R‐PDT with oxygen‐independence is an effective reduction therapy that promises excellent therapeutic efficacy in extremely hypoxic or even anaerobic environments. In the concept, we introduce representative strategies to boost the type‐I photosensitizing pathway, and then focus on the most recent R‐PDT involving hydrogen radical (H⋅) and the single electron transfer (SET) process.
Nitrene C−H Bond Insertion Approach to Carbazolones and Indolones, and a Reactivity Departure for 7‐Membered Analogues**
Authors: Lakshman Mahesh K. , Sebastian Dellamol , Pradhan Padmanava , Neary Michelle C. , Piette Alexis M. , Trzebiatowski Samuel P. , Henriques Alexander E. K. , Willoughby Patrick H. 
Published: September 2023

AbstractA modular platform for facile access to 1,2,3,9‐tetrahydro‐4H‐carbazol‐4‐ones (H4‐carbazolones) and 3,4‐dihydrocyclopenta[b]indol‐1(2H)‐ones (H2‐indolones) is described. The requisite 6‐ and 5‐membered 2‐arylcycloalkane‐1,3‐dione precursors were readily obtained through a Cu‐catalyzed arylation of 1,3‐cyclohexanediones or by a ring expansion of aryl succinoin derivatives. Enolization of one carbonyl group in the diones, conversion to a leaving group, and subsequent azidation gave 2‐aryl‐3‐azidocycloalk‐2‐en‐1‐ones. This two‐step, one‐pot azidation is highly regioselective with unsymmetrically substituted 2‐arylcyclohexane‐1,3‐diones. The regioselectivity, which is important for access to single isomers of 3,3‐disubstituted carbazolones, was analyzed mechanistically and computationally. Finally, a Rh‐catalyzed nitrene/nitrenoid insertion into the ortho C−H bond of the aryl moiety gave the H4‐carbazolones and H2‐indolones. One carbazolone was elaborated to an intermediate reported in the total synthesis of N‐decarbomethoxychanofruticosinate, (−)‐aspidospermidine, (+)‐kopsihainanine A. With 2‐phenylcycloheptane‐1,3‐dione, prepared from cyclohexanone and benzaldehyde, the azidation reaction was readily accomplished. However, the Rh‐catalyzed reaction unexpectedly led to a labile but characterizable azirine rather than the indole derivative. Computations were performed to understand the differences in reactivities of the 5‐ and 6‐membered 2‐aryl‐3‐azidocycloalk‐2‐en‐1‐ones in comparison to the 7‐membered analogue, and to support the structural assignment of the azirine.
Validation and Uncertainty Assessment of a Software‐Integrated Workflow for pH Calculations
Authors: Kosse Pascal , Hernández Rodríguez Tanja , Frahm Björn , Lübken Manfred , Wichern Marc 
Published: September 2023

AbstractAccurate pH calculations are essential for scientists across different disciplines to design optimal reactor solutions, but they can be arduous to calculate for complex acid‐base solutions. Visual Water is a powerful software tool that provides accurate pH calculations with automated mathematical uncertainty analysis. Its workflow is presented and validated using acids and bases, showing a deviation of < 0.2 pH units between measured and calculated pH values. This highlights the software's reliability, which can help to simplify the work of non‐experts in water chemistry.
Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation
Authors: Noble Joyanna Elsa , Ebenezer Cheriyan , Solomon Rajadurai Vijay 
Published: September 2023

AbstractThe manufacture of alkenyl halides on a larger scale often results in the formation of a mixture of isomers, each having individual significant applications while their separation from each other is a strenuous task. Since most of the conventional distillation techniques are known to be intricate, energy consuming and expensive, the quest for an alternative separation strategies is still continuing. In this context, the recently reported trianglimine macrocycle ‐ a new class of intrinsically porous material, is promising in discerning cis isomer from a mixture of cis and trans dichloroethene. Herein, an attempt has been made to apprehend the host‐guest inclusion phenomenon accountable for the selectivity of cis over the trans isomers of 1,2‐dihaloethene (F, Cl and Br) using molecular dynamics simulation and density functional calculations at ω‐B97xd/6‐311G+(d,p) level of theory. The average binding energy of selected snapshots has been calculated at different loadings, temperatures and pressures from molecular dynamics simulation. Our results show that trianglimine can stabilise the cis isomers of the dihaloethenes inside its cavity forming complexes with high interaction energies and the rationale behind the recyclability of the host molecule has been clarified. The outcomes of the calculations bring out the potential utility of this new host architecture to produce highly pure value added chemicals in industries.
CRISPR Based Programmable RNA Editing in Primary Hippocampal Neurons
Authors: Ravichandran Karthick , Khargonkar Tulika , Samaddar Sarbani , Banerjee Sourav 
Published: September 2023

AbstractInvestigating the RNA regulation landscape primarily relies on understanding how RNA‐protein interactions are governed in various cell types, including neurons. Analysis of RNA‐protein interactions in physiological environments warrants the development of new tools that rely on RNA manipulation. Recently, a CRISPR‐based RNA‐editing tool (dCas13b‐ADAR2DD) was developed to mitigate disease‐associated point mutations in cell lines. Here, we explored the targeted sequence editing potential of the tool (dCas13b‐ADAR2DD system) by adapting it to manipulate RNA function to visualize RNA editing in primary hippocampal neurons. This two‐component system includes a programmable guide RNA (gRNA) complementary to the target RNA and a catalytically dead version of the Cas13b enzyme fused to ADAR. The RNA editing protocol outlined in this article relies on gRNA‐dependent targeting of the dCas13b‐ADAR fusion protein to the mutant form of the Dendra2 transcript. Dendra2 is not required for intrinsic cellular functioning. It was ectopically expressed for fluorescent detection as a proof‐of‐principle demonstration of targeted RNA editing. We first abrogated the fluorescence of Dendra2 by introducing a nonsense mutation that precludes the formation of the functional protein. To visualize the efficacy of the RNA editing in neurons, we used the dCas13b‐ADAR2DD system to edit specific nucleotides within the Dendra2 mRNA to restore the amino acid codes critical for Dendra2 fluorescence. This method lays the foundation for future studies on the dynamics of activity‐induced RNA‐protein interactions in neurons and can be extended to manipulate the endogenous RNome in diverse neuronal subtypes. Furthermore, this methodology will enable investigators to visualize the spatial and temporal resolution of RNA‐protein interactions without altering the genomes via conventional methods. © 2023 Wiley Periodicals LLC.Support Protocol: Preparation of mouse primary hippocampal cultureBasic Protocol: Targeted editing of RNA
A novel isolated multi‐port interleaved flyback converter operated TPSL‐DVR for smallscale distribution system
Authors: R Sundar , M Senthil Kumar 
Published: September 2023

SummaryThis study describes a three‐phase six‐level (TPSL) inverter‐based dynamic voltage restorer (DVR) that employs a newly designed isolated multi‐port interleaved flyback converter (IMPIFC). A conventional DVR needs a big and heavy series transformer even for a three‐phase low‐voltage system, which is rated up to 400 V. Power electronic engineers have developed high‐frequency isolated DC–DC converters as a result of the introduction of advanced semiconductor devices and magnetic cores. Control and performance of a low‐voltage DVR utilizing a high‐frequency isolated DC–DC converter are discussed. In the proposed IMPIFC, the high‐frequency (25 kHz) transformer, which is smaller in size than the line‐frequency transformer, is utilized to reduce the size and to integrate multiple energy sources together. In addition, the introduction of a TPSL inverter into the configuration of DVR considerably reduces the injection of harmonic components into the distribution network. The proposed structure of DVR is named as “TPSL‐DVR.” The experimental findings of a three‐phase, three‐wire, 400 V, 50 Hz, 2kW laboratory system validate the boosting ability, feasibility, and efficiency of the system layout.
Standardized high‐dimensional spectral cytometry protocol and panels for whole blood immune phenotyping in clinical and translational studies
Authors: Dott Tom , Culina Slobodan , Chemali Rene , Mansour Cedric Ait , Dubois Florian , Jagla Bernd , Doisne Jean Marc , Rogge Lars , Huetz François , Jönsson Friederike , Commere Pierre‐Henri , Di Santo James , Terrier Benjamin , Quintana‐Murci Lluis , Duffy Darragh , Hasan Milena ,   Milieu Intérieur Consortium
Published: September 2023

AbstractFlow cytometry is the method of choice for immunophenotyping in the context of clinical, translational, and systems immunology studies. Among the latter, the Milieu Intérieur (MI) project aims at defining the boundaries of a healthy immune response to identify determinants of immune response variation. MI used immunophenotyping of a 1000 healthy donor cohort by flow cytometry as a principal outcome for immune variance at steady state. New generation spectral cytometers now enable high‐dimensional immune cell characterization from small sample volumes. Therefore, for the MI 10‐year follow up study, we have developed two high‐dimensional spectral flow cytometry panels for deep characterization of innate and adaptive whole blood immune cells (35 and 34 fluorescent markers, respectively). We have standardized the protocol for sample handling, staining, acquisition, and data analysis. This approach enables the reproducible quantification of over 182 immune cell phenotypes at a single site. We have applied the protocol to discern minor differences between healthy and patient samples and validated its value for application in immunomonitoring studies. Our protocol is currently used for characterization of the impact of age and environmental factors on peripheral blood immune phenotypes of >400 donors from the initial MI cohort.
Challenges and Breakthroughs in Z‐Enantioselective Olefin Metathesis
Authors: Morvan Jennifer , Del Vecchio Antonio , Talcik Jakub , Bouëtard Dylan , Mauduit Marc 
Published: September 2023

AbstractAsymmetric Olefin Metathesis (AOM) represents a highly versatile synthetic tool to lead to relevant chiral building blocks with excellent enantiopurity. As the Z‐alkene moiety is ubiquitous in a wide range of natural products, the development of catalysts which are able to control both the Z‐selectivity and the enantioselectivity of metathesis transformations is in high demands. This review aims to provide a comprehensive overview covering all the breakthroughs accomplished in the field of challenging Z‐enantioselective olefin metathesis, which is of interest in the total synthesis of complex molecules.
Data‐driven framework for warranty claims forecasting with an application for automotive components
Authors: Babakmehr Mohammad , Baumanns Sascha , Chehade Abdallah , Hochkirchen Thomas , Kalantari Mahdokht , Krivtsov Vasiliy , Schindler David 
Published: September 2023

AbstractAutomakers spend billions of dollars annually towards warranty costs, and warranty reduction is typically high on their priorities. An accurate understanding of warranty performance plays a critical role in controlling and steering the business, and it is of crucial importance to fully understand the actual situation as well as be able to predict future performance, for example, to set up adequate financial reserves or to prioritize improvement actions based on expected forthcoming claims. Data maturation, a major nuisance causing changes in performance metrics with observation time, is one of the factors complicating warranty data analysis and typically leads to over‐optimistic conclusions. In this paper, we propose a sequence of steps, decomposing and addressing the main reasons causing data maturation. We first compensate for reporting delay effects using a Cox regression model. For the compensation of heterogeneous build quality, sales delay, and warranty expiration rushes, a constrained quadratic optimization approach is presented, and finally, a sales pattern forecast is provided to properly weigh adjusted individual warranty key performance indicators. The results are shown to dramatically improve prior modeling approaches.
A case study: Analyzing the structure and optimizing the design of the aero handlebar assembly for the bicycle used in Japan's Olympic games
Authors: Das Sourav , Di Giuseppe Francesco , Flores Antonio , Parate Sandhya , Bangal Jaideep 
Published: September 2023

AbstractThis article examines a case study involving a 3D‐printed titanium “aero base handlebar” that failed and caused a crash during the Japan 2020 Olympics. The failure was attributed to the handlebar's design, which did not meet the increasing demands of customers in terms of safety, cost, reliability, and comfort. The handlebar was created using in‐house Altair product tools like Inspire Studio, SIMSOLID, and SULIS. Static structural analysis was conducted by estimating boundary forces. The analysis revealed that the original handlebar design, with a width of 50 mm, did not meet the required safety standards. To address safety concerns, the article proposed moving the arms forward by 35 mm (1.37 in.) to create clearance and attempting to secure a modified aero handlebar with an 85 mm width. The modified design incorporated a lattice structure, which exhibited higher levels of deformation and stresses, as well as lower maximum fatigue damage compared to the original 50 mm design. These results highlight the importance of considering customer expectations for safety, reliability, and comfort. Company Altair's advanced proprietary software, including Inspire Studio, SIMSOLID, and SULIS, in addition to employing lattice optimization methods, can support designers and engineers in fulfilling these requirements and creating products that are both safer and more reliable.
Performance‐enhanced eco‐friendly triboelectric nanogenerator via wettability manipulation of lignin
Authors: Jo Hongseok , Park Dogun , Joo Minkyeong , Choi Daekyu , Kang Jisong , Ha Jeong‐Myeong , Kim Ki Hyun , Kim Kwang Ho , An Seongpil 
Published: September 2023

AbstractEco‐friendly and sustainable energy harvests that can alleviate concerns on the energy crisis and environmental pollution are in demand. Exploiting nature‐derived biomaterials is imperative to develop these carbon‐neutral energy harvesters. In this study, lignin/polycaprolactone nanofiber (NF)‐based triboelectric nanogenerators (TENGs) are fabricated using an electrospinning technique. Nanotextured morphology of electrospun lignin/polycaprolactone NFs and wettability modification of lignin into hydrophilicity can significantly enhance electron transfer between tribopositive and tribonegative materials, resulting in the highest energy‐harvesting efficiency in their class. The output voltage of the lignin‐based TENG exceeds 95 V despite relatively low tapping force of 9 N and frequency of 9 Hz. Various mechanical and physicochemical characterizations, including scanning electron microscopy, nuclear magnetic resonance spectroscopy, x‐ray diffraction analysis, Fourier transform infrared analysis, and atomic force microscopy, are performed, confirming the mechanical durability, biocompatibility, and industrial viability of lignin‐based TENG developed here.image
Using Multiple Metal Mixture Models to Predict Toxicity of Riverine Sediment Porewater to the Benthic Life Stage of Juvenile White Sturgeon (Acipenser transmontanus)
Authors: Balistrieri Laurie S. 
Published: September 2023

Abstract
Five metal mixture dose–response models were used to predict the toxicity of porewater to young sturgeon at areas of interest in the Upper Columbia River (WA, USA/BC, Canada) and to evaluate these models as tools for risk assessments. Dose components of metal mixture models included exposure to free metal ion activities or metal accumulation by biotic ligands or humic acid, and links of dose to response used logistic equations, independent joint action equations, or additive toxicity functions. Laboratory bioassay studies of single metal exposures to juvenile sturgeon, porewater collected in situ in the fast-flowing Upper Columbia River, and metal mixture models were used to evaluate toxicity. The five metal mixture models were very similar in their predictions of adverse response of juvenile sturgeon and in identifying copper (Cu) as the metal responsible for the most toxic conditions. Although the modes of toxic action and the 20% effective concentration values were different among the dose models, predictions of adverse response were consistent among models because all doses were tied to the same biological responses. All models indicated that 56% ± 5% of 122 porewater samples were predicted to have &lt;20% adverse response, 25% ± 5% of samples were predicted to have 20% to 80% adverse response, and 20% ± 4% were predicted to have &gt;80% adverse response in juvenile sturgeon. The approach of combining bioassay toxicity data, compositions of field porewater, and metal mixture models to predict lack of growth and survival of aquatic organisms due to metal toxicity is an important tool that can be integrated with other information (e.g., survey studies of organism populations, life cycle and behavior characteristics, sediment geochemistry, and food sources) to assess risks to aquatic organisms in metal-enriched ecosystems. Environ Toxicol Chem 2024;43:62–73. Published 2023. This article is a U.S. Government work and is in the public domain in the USA.
Manganese Exacerbates Seasonal Health Declines in a Suicidally Breeding Mammal
Authors: Amir Abdul Nasir Ami F. , Niehaus Amanda C. , Cameron Skye F. , Ujvari Beata , Madsen Thomas , von Hippel Frank A. , Gao Sisi , Dillon Danielle M. , Buck C. Loren , Charters Jordan , Heiniger Jaime , Blomberg Simone , Wilson Robbie S. 
Published: September 2023

Abstract
Reproductive costs must be balanced with survival to maximize lifetime reproductive rates; however, some organisms invest in a single, suicidal bout of breeding known as semelparity. The northern quoll (Dasyurus hallucatus) is an endangered marsupial in which males, but not females, are semelparous. Northern quolls living near mining sites on Groote Eylandt, Northern Territory, Australia, accumulate manganese (Mn) in their brains, testes, and hair, and elevated Mn impacts motor performance. Whether Mn is associated with other health declines is yet unknown. In the present study we show that male and female northern quolls with higher Mn accumulation had a 20% reduction in immune function and a trend toward reduced cortisol concentrations in hair. The telomere lengths of male quolls did not change pre- to postbreeding, but those with higher Mn levels had longer telomeres; in contrast, the telomeres of females shortened during the breeding season but recovered between the first year and second year of breeding. In addition, the telomeres of quolls that were recaptured declined at significantly higher rates in quolls with higher Mn between prebreeding, breeding, and/or postbreeding seasons. Future research should determine whether changes in cortisol, immune function, or telomere length affect reproductive output or survival—particularly for semelparous males. Environ Toxicol Chem 2024;43:74–86. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Efficient hyperbolic–parabolic models on multi‐dimensional unbounded domains using an extended DG approach
Authors: Vismara Federico , Benacchio Tommaso 
Published: September 2023

AbstractWe introduce an extended discontinuous Galerkin discretization of hyperbolic–parabolic problems on multidimensional semi‐infinite domains. Building on previous work on the one‐dimensional case, we split the strip‐shaped computational domain into a bounded region, discretized by means of discontinuous finite elements using Legendre basis functions, and an unbounded subdomain, where scaled Laguerre functions are used as a basis. Numerical fluxes at the interface allow for a seamless coupling of the two regions. The resulting coupling strategy is shown to produce accurate numerical solutions in tests on both linear and nonlinear scalar and vectorial model problems. In addition, an efficient absorbing layer can be simulated in the semi‐infinite part of the domain in order to damp outgoing signals with negligible spurious reflections at the interface. By tuning the scaling parameter of the Laguerre basis functions, the extended DG scheme simulates transient dynamics over large spatial scales with a substantial reduction in computational cost at a given accuracy level compared to standard single‐domain discontinuous finite element techniques.