bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photophysical properties of anti‐inflammatory piroxicam and its Cu(II) complex
Authors: Choi Jungkweon , Ahn Mina , Wee Kyung‐Ryang , Cho Dae Won 
Published: October 2021

AbstractPiroxicam (PRX), a nonsteroidal anti‐inflammatory drug, exhibits a large Stokes‐shift emission owing to the excited‐state intramolecular proton transfer (ESIPT) from enol‐PRX to keto‐PRX. In contrast, the Cu‐coordinated PRX complex (CuPRX) does not show any emission at 300 K. In the time‐resolved transient absorption (TA) spectra, PRX showed two positive TA bands at 430 and 700 nm, corresponding to the S1–Sn transitions of keto‐PRX* and a negative bleaching band at 540 nm due to ESIPT emission. These TA bands decayed with a lifetime of approximately 50 ps. CuPRX showed similar TA features, but no bleaching band was observed for CuPRX and decayed rapidly within 3 ps, indicating a rapid intersystem crossing process owing to the heavy atom effect. Based on the experimental results and theoretical calculations, the fate for excited keto‐PRX is discussed in terms of the ESIPT and reverse ESIPT processes.
Pharmacokinetic and metabolic profiling studies of osmundacetone in rats by UPLC–MS/MS and UPLC–QE–Orbitrap–HRMS
Authors: Wu Hao , Cao Yijia , Wang Jiaqi , Liu Runhua , Sun Yu , Zhang Chenning , Sun Yikun 
Published: October 2021

AbstractOsmundacetone is a potential medicinal substance existing in ferns and has excellent antioxidant effects. This research aims to obtain the pharmacokinetic data for and metabolite products of osmundacetone. An UPLC–MS/MS quantitative method was established for the measurement of osmundacetonein in rat plasma over a linear range of 6.72–860.00 ng/ml. The signal to noise ratio of the lower limit of quantification was 60:1, the precision was <9.74% and the method had good selectivity and stability. The established method was successfully applied to the pharmacokinetic study of osmundacetone for the first time. Osmundacetone reached a peak at 0.25 h with a maximum value of 3283.33 μg/L. The apparent volume of distribution not multiplied by the bioavailability was 127.96 L/kg, and the half‐life of osmundacetone was 5.20 h. At the same time, an UPLC–QE–Orbitrap–HRMS method was established to identify metabolites in plasma, urine and feces for the first time. A total of 30 metabolites were identified and the metabolic profile of osmundacetone was defined. In general, we have established a mass spectrometry quantitative method for osmundacetone for the first time and characterized its metabolic characteristics in rats.
Systematic Evaluation of Fluorination as Modification for Peptide‐Based Fusion Inhibitors against HIV‐1 Infection
Authors: Huhmann Susanne , Nyakatura Elisabeth K. , Rohrhofer Anette , Moschner Johann , Schmidt Barbara , Eichler Jutta , Roth Christian , Koksch Beate 
Published: October 2021

AbstractWith the emergence of novel viruses, the development of new antivirals is more urgent than ever. A key step in human immunodeficiency virus type 1 (HIV‐1) infection is six‐helix bundle formation within the envelope protein subunit gp41. Selective disruption of bundle formation by peptides has been shown to be effective; however, these drugs, exemplified by T20, are prone to rapid clearance from the patient. The incorporation of non‐natural amino acids is known to improve these pharmacokinetic properties. Here, we evaluate a peptide inhibitor in which a critical Ile residue is replaced by fluorinated analogues. We characterized the influence of the fluorinated analogues on the biophysical properties of the peptide. Furthermore, we show that the fluorinated peptides can block HIV‐1 infection of target cells at nanomolar levels. These findings demonstrate that fluorinated amino acids are appropriate tools for the development of novel peptide therapeutics.
Improvement of abnormal cervical cytology possibly due to a graft‐versus‐tumor effect: A case report and literature review
Authors: Hayashi Natsuki , Kato Yasuhito , Miyakawa Hiroe , Nakata Toshiyuki , Tamate Kenichi , Kikuchi Tomoki , Obata Masahiko 
Published: October 2021

AbstractThe cervical cytology of our patient transformed from squamous cell carcinoma to negative for intraepithelial lesion or malignancy, possibly due to the graft‐versus‐tumor effect following allogeneic stem cell transplantation.
Herpes‐like skin lesion after AstraZeneca vaccination for COVID‐19: A case report
Authors: Ardalan Mohammadreza , Moslemi Hamidreza , Shafiei Shervin , Tabrizi Reza , Moselmi Mohammadreza 
Published: October 2021

AbstractRecurrent herpes simplex virus or varicella zoster virus infection should be considered as one of the rare complications after AstraZeneca vaccination for COVID‐19.
Cryptococcal meningitis in an immunocompetent individual: A case report
Authors: Acharya Suman , Yadav Sushil Kumar , Singh Prabesh Bikram , Bhandari Siddhartha , Gautam Jeevan , Pathak Santosh , Nepal Gaurav , Sah Ranjit , Ojha Rajeev 
Published: October 2021

AbstractCryptococcal meningitis (CM) is mostly seen in immune‐compromised patients and rarely occurs in immune‐competent individuals. Immunocompetent individuals with CM present with indolent neurological disease and have better clinical outcomes after treatment. However, misdiagnosis is common and these patients may suffer from serious complications with high mortality.
Schuurs‐Hoeijmakers syndrome in a patient from Iraq ‐ Kirkuk
Authors: Abdulqader Sahar Adnan , Wli Wafaa Abdulqader , Qaryaqos Samer Habeeb 
Published: October 2021

AbstractSchuurs‐Hoeijmakers syndrome is a very rare disorder with less than 60 cases reported worldwide. This is a case report of a patient with SHMS from Iraq, the first in the area of the Middle East. He had epilepsy during his first days of life and a subsequent neurodevelopmental delay.
Surgical repair of left‐sided partial anomalous pulmonary venous connection associated with situs inversus totalis
Authors: Al‐Dairy Alwaleed , Shammout Reem , Al habbal Raiean 
Published: October 2021

AbstractThe recognition of situs inversus is of great importance to avoid possible surgical mishaps that may result from the failure to recognize reversed anatomy or an atypical history. The repair of associated PAPVC with situs inversus totalis needs special attention during surgery due to the reversed anatomy.ss
Thiophene‐Fused 1,4‐Diazapentalene: A Stable C=N‐Containing π‐Conjugated System with Restored Antiaromaticity
Authors: Usuba Junichi , Fukazawa Aiko 
Published: October 2021

AbstractA thiophene‐fused 1,4‐diazapentalene (TAP) was rationally designed and synthesized as a C=N‐containing 4n π‐electron system that exhibits restored antiaromaticity impaired by the doping with C=N bonds. X‐ray crystallographic analysis and quantum chemical calculations revealed that the annulation of thiophene rings with the 1,4‐diazapentalene moiety resulted in a much higher antiaromaticity than the pristine 1,4‐diazapentalene. These effects can be ascribed to the reduced bond alternation of the eight‐membered‐ring periphery caused by stabilization of the less‐stable bond‐shifted resonance structure upon increasing the degree of substitution of imine moieties. Consequently, TAP underwent facile hydrogenation even under mild conditions because of its pronounced antiaromaticity and the high aromaticity of the corresponding hydrogenated product H2‐TAP. In addition, the electrophilic C=N moieties in TAP led to the formation of a dense π‐stacked structure. These results highlight the effect of partial replacement of C=C bonds with C=N bonds in antiaromatic π‐electron systems.
Ruthenium‐ and Copper‐Catalyzed Propargylic Substitution Reactions of Propargylic Alcohol Derivatives with Hydrazones
Authors: Liu Shiyao , Tanabe Yoshiaki , Kuriyama Shogo , Sakata Ken , Nishibayashi Yoshiaki 
Published: October 2021

AbstractRuthenium‐ and copper‐catalyzed propargylic substitution reactions of propargylic alcohol derivatives with N‐monosubstituted hydrazones as ambident nucleophiles are achieved in which N‐monosubstituted hydrazones exhibit impressive different reactivities depending on different catalytic systems, behaving as carbon‐centered nucleophiles to give the corresponding propargylic alkylated products in ruthenium catalysis, or as nitrogen‐centered nucleophiles to afford the corresponding propargylic aminated products in copper catalysis. DFT calculations were carried out to investigate the detailed reaction pathways of these two systems. Further transformation of propargylic substituted products affords the corresponding multisubstituted pyrazoles as cyclization products in good to high yields.
Uncertainty quantification in subject‐specific estimation of local vessel mechanical properties
Authors: Rego Bruno V. , Weiss Dar , Bersi Matthew R. , Humphrey Jay D. 
Published: October 2021

AbstractQuantitative estimation of local mechanical properties remains critically important in the ongoing effort to elucidate how blood vessels establish, maintain, or lose mechanical homeostasis. Recent advances based on panoramic digital image correlation (pDIC) have made high‐fidelity 3D reconstructions of small‐animal (e.g., murine) vessels possible when imaged in a variety of quasi‐statically loaded configurations. While we have previously developed and validated inverse modeling approaches to translate pDIC‐measured surface deformations into biomechanical metrics of interest, our workflow did not heretofore include a methodology to quantify uncertainties associated with local point estimates of mechanical properties. This limitation has compromised our ability to infer biomechanical properties on a subject‐specific basis, such as whether stiffness differs significantly between multiple material locations on the same vessel or whether stiffness differs significantly between multiple vessels at a corresponding material location. In the present study, we have integrated a novel uncertainty quantification and propagation pipeline within our inverse modeling approach, relying on empirical and analytic Bayesian techniques. To demonstrate the approach, we present illustrative results for the ascending thoracic aorta from three mouse models, quantifying uncertainties in constitutive model parameters as well as circumferential and axial tangent stiffness. Our extended workflow not only allows parameter uncertainties to be systematically reported, but also facilitates both subject‐specific and group‐level statistical analyses of the mechanics of the vessel wall.
Larval fish body growth responses to simultaneous browning and warming
Authors: Huss Magnus , van Dorst Renee M. , Gårdmark Anna 
Published: October 2021

AbstractOrganisms are facing global climate change and other anthropogenic pressures, but most research on responses to such changes only considers effects of single drivers. Observational studies and physiological experiments suggest temperature increases will lead to faster growth of small fish. Whether this effect of warming holds in more natural food web settings with concurrent changes in other drivers, such as darkening water color (“browning”) is, however, unknown. Here, we set up a pelagic mesocosm experiment with large bags in the Baltic Sea archipelago, inoculated with larval Eurasian perch (Perca fluviatilis) and zooplankton prey and varying in temperature and color, to answer the question how simultaneous warming and browning of coastal food webs impact body growth and survival of larval perch. We found that browning decreased body growth and survival of larval perch, whereas warming increased body growth but had no effect on survival. Based on daily fish body growth estimates based on otolith microstructure analysis, and size composition and abundance of available prey, we explain how these results may come about through a combination of physiological responses to warming and lower foraging efficiency in brown waters. We conclude that larval fish responses to climate change thus may depend on the relative rate and extent of both warming and browning, as they may even cancel each other out.
Structural Elucidation, Aggregation, and Dynamic Behaviour of N,N,N,N‐Copper(I) Schiff Base Complexes in Solid and in Solution: A Combined NMR, X‐ray Spectroscopic and Crystallographic Investigation
Authors: Gerz Isabelle , Jannuzzi Sergio Augusto Venturinelli , Hylland Knut T. , Negri Chiara , Wragg David S. , Øien‐Ødegaard Sigurd , Tilset Mats , Olsbye Unni , DeBeer Serena , Amedjkouh Mohamed 
Published: October 2021

AbstractA series of Cu(I) complexes of bidentate or tetradentate Schiff base ligands bearing either 1‐H‐imidazole or pyridine moieties were synthesized. The complexes were studied by a combination of NMR and X‐ray spectroscopic techniques. The differences between the imidazole‐ and pyridine‐based ligands were examined by 1H, 13C and 15N NMR spectroscopy. The magnitude of the 15Nimine coordination shifts was found to be strongly affected by the nature of the heterocycle in the complexes. These trends showed good correlation with the obtained Cu−Nimine bond lengths from single‐crystal X‐ray diffraction measurements. Variable‐temperature NMR experiments, in combination with diffusion ordered spectroscopy (DOSY) revealed that one of the complexes underwent a temperature‐dependent interconversion between a monomer, a dimer and a higher aggregate. The complexes bearing tetradentate imidazole ligands were further studied using Cu K‐edge XAS and VtC XES, where DFT‐assisted assignment of spectral features suggested that these complexes may form polynuclear oligomers in solid state. Additionally, the Cu(II) analogue of one of the complexes was incorporated into a metal‐organic framework (MOF) as a way to obtain discrete, mononuclear complexes in the solid state.
Combining Diastereomeric Resolution and Viedma Ripening by Using a Racemic Resolving Agent
Authors: Lerdwiriyanupap Tharit , Belletti Giuseppe , Tinnemans Paul , Meekes Hugo , Rutjes Floris P. J. T. , Vlieg Elias , Flood Adrian E. 
Published: October 2021

AbstractIn spite of the many resolution techniques available to separate enantiomers, diastereomeric resolution still remains the most widely used technique in industry. However, drawbacks of this technique are the limited yield of the desired enantiomer and the expensive enantiopure resolving agent that is required. We show here for the first time that a combination of diastereomeric resolution with Viedma ripening using a racemic resolving agent can also provide a single stereoisomer when using an excess of the racemic resolving agent, without the need for the resolving agent to racemize. The requirements of this process are, like for an enantiomeric system, that the compound crystallizes as a racemic conglomerate and that at least one chiral center in the target molecule is racemizable. In addition, owing to the presence of the racemization reaction, substantial improvement in the yield can be obtained. We here demonstrate this approach using a metastable conglomerate salt of rac‐2‐phenylglycinamide with rac‐N‐acetyl tryptophan.
Performance analysis of non‐orthogonal multiple access assisted cooperative relay system with channel estimation errors and imperfect successive interference cancellation
Authors: Singh Shailendra , Bansal Matadeen 
Published: October 2021

AbstractThis article studies a new non‐orthogonal multiple access (NOMA) assisted decode‐and‐forward cooperative relay (NOMA‐DFCR) system, where the downlink NOMA principle is employed to communicate between a source‐destination pair through a dedicated relay. Performance of the proposed system is analyzed in terms of the outage probability (OP), system throughput (ST), and ergodic sum rate with channel estimation errors (CEEs) and imperfect successive interference cancellation (SIC). An approximate expression of the OP and the diversity order of the presented scheme are derived. To gain further insights, asymptotic analysis of the OP is carried out at high signal‐to‐noise ratio (SNR) regime. Further, we also investigate the impact of power allocation coefficients and CEEs on the system performance. Moreover, the OP of orthogonal multiple access (OMA) assisted cooperative relay system is evaluated and compared with the proposed scheme. To validate the correctness of the derived analytical results, Monte Carlo simulations are performed. Numerical and simulation results have shown that the proposed system outperforms its OMA counterpart and the schemes in References 14 and 15, in terms of both the ST and OP.
Data rescue in selected countries in connection with the EUMETNET DARE activity
Authors: Chimani Barbara , Auer Ingeborg , Prohom Marc , Nadbath Mateja , Paul Anita , Rasol Dubravka 
Published: October 2021

AbstractIn situ data are an essential need in the analyses of past and current climate change. All over the world, different data rescue activities try to extend existing time series and to retrieve data in spatial and temporal data sparse regions. Also in Europe, part of the historic data is still only available in paper archives, without any digital access to these sources. The EUMETNET Data Rescue activity was started in order to investigate the potential for additional long‐term stations, to monitor the progress of data rescue in European countries and to support participants with know‐how exchange and international connections to facilitate data exchange. The activity raised the awareness of the need for data rescue and ongoing activities. This paper will provide information on the data rescue activities of 4 EUMETNET countries focusing on different aspects and in different states of the data rescue process. While Austria, Croatia and Slovenia are connected by a partly common history which is also displayed in the history of their meteorological network, Catalonia has a different historical background. Nevertheless, the problems data rescue is confronted with are similar for all activities. Therefore, the selected countries will provide a good overview of the problems and solutions discussed during the EUMETNET meetings. This paper wants to offer insight into different strategies for data rescue as well as into ongoing activities. Moreover, the importance of cooperation in regard to data rescue is underlined and examples of possible partnerships are provided.
Effects of vibration and target size on the use of varied computer input devices in basic human‐computer interaction tasks
Authors: Wang Hailiang , Tao Da , Cai Jian , Qu Xingda 
Published: October 2021

AbstractPointing and dragging are fundamental actions by input devices when interacting with computer graphical user interfaces (GUIs). Cockpits on modern vehicles have been increasingly equipped with GUIs, enabling pointing and dragging tasks to be frequently performed under vibration conditions. However, factors influencing these fundamental actions under vibration conditions have not been fully explored. This study aimed to explore the effects of vibration, input devices, and target size on the performance and perceived workload in basic human–computer interaction tasks. Twenty‐seven participants completed an experiment where they were required to conduct two pointing tasks and one dragging‐and‐dropping task using four input devices (mouse, touchscreen, trackball, and remote hand‐controller) under static and three vibration conditions (lateral, fore‐and‐aft, and omnidirectional vibration) with two target sizes (small and large). The results indicated that vibration caused longer task completion time, higher error rates, and more workload in completing pointing and dragging tasks. Both target size and input device affected task performance in vibration environments. Highest workload was perceived when using remote hand‐controller, followed by trackballs under all vibration conditions; there was no significant difference between mouse and touchscreen, except in terms of physical demand. The findings suggest that practitioners should fully consider the joint effects of input device, target size, and vibration to counteract adverse influence of vibration and optimize user interface designs of human‐computer systems in vibration environments.
“What you see is what you get”—abnormal endometrial sonographic findings are sufficient for direct surgical hysteroscopy: Retrospective cohort study
Authors: Pomeranz Meir , Klein Zvi , Mulla Doron , Ovadia Michal , Sharvit Merav , Schonman Ron , Daykan Yair , Arbib Nissim 
Published: October 2021

AbstractObjectiveTo evaluate the possibility of referring women with uterine polyps larger than 1.5 cm directly to surgical hysteroscopy.MethodsThis retrospective cohort study included all women referred to a university‐affiliated tertiary medical center for hysteroscopy, with the diagnosis of endometrial polyp, from 01/2013 to 05/2016. Women were referred for surgical hysteroscopy based on TVUS findings. PPV of TVUS for detecting intrauterine polyps was evaluated relating to pathology as gold standard, with sub‐group analysis relating to polyp size and other parameters.ResultsWe selected 1.5 cm as a cutoff size for subgroup analysis of endometrial polyps. PPV of TVUS for the entire cohort of 295 cases eligible for analysis, was 79.3%. TVUS describing polyps ≥1.5 cm had PPV of 92.1%, higher than the PPV for smaller polyps. Among post‐menopausal women in this group, PPV was as high as 96.2%. Use of doppler or saline was found to improve PPV in the entire cohort. Indication for performing TVUS did not affect the PPV.ConclusionTVUS describing polyps ≥1.5 cm may suffice for direct referral of women to surgical hysteroscopy. A personalized approach based on the initial diagnosis may avoid unnecessary invasive procedures for patients.
A ketamine package for use in emergency cesarean delivery when no anesthetist is available: An analysis of 401 consecutive operations
Authors: Burke Thomas F. , Mantena Sreekar , Opondo Kennedy , Orero Solomon , Rogo Khama 
Published: October 2021

AbstractObjectiveTo evaluate the safety and effectiveness of a ketamine‐based anesthesia package to support emergency cesarean section when no anesthetist is available.MethodsA prospective case‐series was conducted between December 11, 2013 and September 30, 2021 across nine sub‐county hospitals in Kenya. Non‐anesthetist healthcare providers undertook an evidence‐based five‐day training course. A structured instrument was used to collect preoperative, intraoperative, and postoperative data, and patients were contacted 6 months following the surgery to collect outcomes. The primary outcome measures were maternal and newborn survival and the ability of the ketamine package (ESM‐Ketamine) to safely support cesarean deliveries.ResultsA total of 401 emergency cesarean sections were performed using ketamine, administered by 54 non‐anesthetist providers. All mothers survived to discharge. Brief oxygen desaturations were recorded among 33 (8.2%) mothers, and agitation and hallucinations occurred among 13 (3.2%). There were no maternal serious adverse events. At 6‐month follow‐up, 94.2% of mothers who could be reached reported no complaints. Additionally, 402 (92.4%) of the 435 operative births survived to discharge.ConclusionThe ESM‐Ketamine package can be used by trained non‐anesthetist providers to support emergency cesarean sections when no anesthetist is available. Ketamine has significant potential to increase access to emergency cesarean deliveries in resource‐limited settings.