bluuebunny/crossref_metadata_2025_split huggingface dataset:
Numerical study on porosity distribution and analysis of ignition instability in packed beds of spheres
Authors: Xue Zhijia , Yu Qingbo , Ma Shanshan , Fu Xinyou 
Published: June 2021

AbstractPorosity distribution is an important factor that affects premixed flame stability in packed beds. In this paper, the discrete element method is used to simulate the sphere packing in cylindrical, conical, and pyramidal packed beds. The anisotropic characteristics of porosity and ignition temperature distributions in packed beds are calculated and analyzed. The results show that the distance of the oscillation period of the packed bed filled with spheres of the same diameter is approximately equal to the sphere diameter. The oscillation amplitude of radial and axial porosity curves can be reduced by filling with mixed spheres of different diameters in cylindrical packed beds. The influence factors on the oscillation period distance of the radial and axial porosity curves include the diameter difference of the spheres and the mixing ratio of the number of spheres. In the cylindrical double‐layer packed beds, the interfacial porosity can be decreased by the increase of the diameter difference among the spheres. Increasing the divergent angle of the conical packed beds can weaken the influence of wall effect on the radial and axial porosities, which makes the uniformity of the porosity in the conical packed beds better than that of the cylindrical and the pyramidal beds. The inhomogeneity of tangential porosity distribution in the packed beds is inherent. In the packed beds, the ignition temperature of premixed gas is negatively correlated with porosity, sphere diameter, equivalent ratio of mixed gas, and divergent angle of conical packed beds, and it is positively correlated with superficial velocity.
A semi‐empirical mathematical model to specify the pH of bicarbonate‐buffered cell culture medium formulations
Authors: Duong Tam T. , Piret James M. , Balcarcel R. Robert 
Published: June 2021

AbstractThe carbon dioxide/bicarbonate system is routinely used as a buffer in mammalian cell culture medium. However, due to the continuous degassing of carbon dioxide and its dependence on temperature, it is difficult to achieve the target pH during preparation at ambient temperature and without control of dissolved carbon dioxide, and even more so at cell culture operating conditions. These problems were amplified when preparing multiple (e.g., 20) customized preparations of an in‐sourced proprietary medium during research and process development of mammalian cell culture systems. Thus, a mathematical model was created to specify the amount of acid or base to add during preparation so as to achieve the target pH of each medium at process conditions without having to do titration. The relationship between gaseous carbon dioxide and the dissolved carbon dioxide in the proprietary medium containing unknown species was specified using a modified Henry's law equation (as done in prior work). Further, to allow medium preparation without doing titration, the acid/base properties of the proprietary medium were fitted by a parameter related to its Net Medium Acids during specification of model parameters. A subset of the solutions was prepared and tested in bioreactors with controlled CO2 flow to validate the model. Then, the model was used to assess the equivalence of the pHs of the customized medium formulations despite variations in pCO2 that occurred during incubation and sampling.
Rhodium‐Catalyzed Direct C—H Alkenylation of Indoles with Alkenyl Borates
Authors: Wang Ze‐Tian , Zheng Zi‐Ang , Li Peng‐Jie , Zhou Chun‐Ni , Cai Shao‐Jun , Xiao Biao , Wang Liang 
Published: June 2021

Main observation and conclusionA new Rh(III)‐catalyzed direct C—H alkenylation of 2,3‐unsubstitued indoles with alkenyl borates through C—H activation followed by transmetallation was described. This protocol provides an efficient method for the synthesis of terminal C2‐alkenylindoles under mild conditions, and also shows broad substrate scope and high functional group tolerance with respect to both components. Furthermore, the C2‐alkenylated indole can be easily transformed into carboline derivative, which is an important polycyclic indole moiety in natural products and drug molecules.
Computational Analysis of Synthetic Planning: Past and Future
Authors: Wang Zhuang , Zhang Wenhan , Liu Bo 
Published: June 2021

AbstractComputer‐aided synthesis planning (CASP) integrates intuition of chemists and reliability of computers. As an in‐between of unique creativities of human beings and unparalleled calculational capability of computers, CASP has become an important tool used in academic and industrial research. With explosion of novel chemical reactions, increasing of computer performance, and revolution of algorithms, CASP will play more significant roles in the synthetic chemistry field, inspiring novel and highly efficient syntheses of natural products and drug candidates. In this article, we review the progress in computational analysis of synthetic planning from rule‐based programs (e.g., LHASA and SECS) in the early stage to machine learning (e.g., neural networks and seq2seq methods) in more recent years.
A novel polyethylene glycol (PEG)‐drug conjugate of Venetoclax, a Bcl‐2 inhibitor, for treatment of acute myeloid leukemia (AML)
Authors: Ando Hidenori , Murakami Yuta , Eshima Kiyoshi , Ishida Tatsuhiro 
Published: June 2021

AbstractBackgroundVenetoclax (VTX) is an anticancer drug. It is a selective Bcl‐2 inhibitor that is clinically used for the treatment of patients with lymphomas and leukemias. Treatment with VTX, however, is accompanied by severe adverse events such as tumor lysis syndrome and neutropenia, because VTX readily binds to serum proteins, which results in poor pharmacokinetics and poor tumor tissue concentration. To avoid such adverse events, VTX is administered using a daily or weekly ramp‐up schedule that is cumbersome in clinical situations.AimsTo overcome these shortcomings, we prepared a novel polyethylene glycol (PEG)‐drug conjugate of VTX (PEG‐VTX) and evaluated its cytotoxic effects on acute myeloid leukemia (AML) both in vitro and in vivo.Methods and resultsVTX and 4‐armed PEG derivatives were covalently attached through an amide bond linker. In a series of in vitro studies, PEG‐VTX selectively induced potent growth inhibition of MV4‐11 human AML cells via the inducement of Bcl‐2‐mediated apoptosis. PEG‐VTX had the effect of free VTX, presumably due to the protease‐mediated release of VTX from the conjugates. In in vivo studies with AML tumor‐xenograft mice models, intravenous PEG‐VTX promoted sufficient tumor growth suppression. Compared with a regimen of oral free VTX, the intravenous regimen in those studies used a VTX dosage that was 15–30 times smaller for an OCI‐AML‐2 xenograft model and a dosing regimen that was less frequent for an MV4‐11 xenograft model. The most important development, however, was the absence of weight loss related to severe side effects throughout the treatments. An increase in water solubility and the resultant hydrodynamic size of VTX via PEGylation improved the pharmacokinetics of VTX by avoiding protein interactions and lessening the extravasation from blood. The result was an increase in tumor accumulation and a decrease in the nonspecific distribution of VTX.ConclusionThe results of this study suggest that PEG‐VTX could be an alternative therapeutic option for the safe and effective treatment of patients with AML.
Investigation on the Effects of MnCl2 Doping on Structural and Optical Properties of DAST Single Crystals as Materials for Second Order Nonlinear Optics
Authors: Sivakumar Thirumuruganantham , Eniya Palaniyasan , Sundar Jeyaperumal Kalyana , Thirunavukkarasu Arisiappan , Lakshmi Muppudathi Anna , Kanthimathi Gomathinayagam 
Published: June 2021

AbstractThe intent is to explore the optoelectronic properties of metal ions doped stilbazolium derivative, 4‐N,N′‐dimethylamino‐N‐methyl‐4‐stilbazolium tosylate (MnCl2‐DAST) nonlinear optical crystal materials for the existing technological necessities. The Mn‐DAST single crystals are crystallized by adopting the slow evaporation solution technique (SEST). The structural and crystallographic dimensions of grown crystals are affirmed using single‐crystal X‐ray diffraction and powder crystal X‐ray diffraction. Fourier transform infrared spectra are performed to explicate the functional groups and energy dispersive X‐ray analysis (EDAX) spectra confirm the presence of the chemical elements of grown crystals. The UV–vis absorption spectra of DAST and Mn‐DAST crystals exhibit all possible n–π* and π–π* electronic transitions. The blue shift is observed in the doped materials due to the exchange of lone pair electrons between the metal ions and organic molecule. Tremendously, the second order harmonic generation (SHG) efficiency of Mn (0.01 mol%) doped DAST crystals has 1.68 times larger than that of DAST crystal. From the metal‐organic crystals (Mn‐DAST), all the results brought out are the promising materials in the design of nonlinear optical applications.
Silicon in turfgrass: A review
Authors: Guertal Elizabeth A. , Datnoff Lawrence E. 
Published: June 2021

AbstractSilicon (Si) is a “quasi‐essential” element that helps plants to overcome various abiotic and biotic stresses. This review summarizes research which examined application of Si in turfgrass management and its impact on plant health. Research on inclusion of Si in turfgrass has largely centered upon three areas: plant disease suppression, improvement in wear tolerance, and reductions in drought and salinity stress. Of these, the ability of Si to reduce turf diseases has received the most attention, with applications of Si often reducing various diseases, including gray leaf spot, dollar spot, and brown patch, in creeping bentgrass, bermudagrass, perennial ryegrass, and St. Augustinegrass. One potential constraint to its effectiveness is that Si application rates for disease reduction are often quite high (e.g., rates as high as 400 to 2,000 kg Si ha–1). Responses were also variable with turfgrass species, soil type, and soil Si content, and the measured response was often not great enough to produce turf of desirable quality without additional use of fungicides. More research is needed in the area of Si and turf wear, as the use of Si to “harden” turfgrass and improve wear and ball roll is widely marketed in turfgrass maintenance. Further research is also needed to identify best soil extractants for measuring soluble Si and to calibrate this extractable Si for the determination of critical levels of soil Si across soil types and turfgrass species.
Phase transition in electrorheological plasmas
Authors: Dietz Christopher , Budak Johannes , Kamprich Tobias , Kretschmer Michael , Thoma Markus H. 
Published: June 2021

AbstractApplying an external electric AC field to a dusty plasma, the micro‐particles arrange in strings or chains. In analogy to electrorheological fluids, such a system is called electrorheological plasma. Turning gradually the AC field into a DC field, the string formation is diminished until it vanishes completely in the DC case. In this way, a cross‐over transition from a string‐like to an isotropic micro‐particle many‐body system can be investigated. Experimental investigations of electrorheological plasmas are performed under microgravity conditions in parabolic flights. For analysing the image data, a supervised machine learning code was developed and a continuous cross over was found. A molecular dynamics simulation showed qualitatively similar results but also some deviations from the experimental results.
Metastatic malignant melanoma mimicking a salivary gland basaloid neoplasm after treatment with nivolumab
Authors: Lajara Sigfred , Landau Michael 
Published: June 2021

AbstractMalignant melanoma is a well‐known diagnostic pitfall, given its propensity to metastasize to different sites and mimic various entities. In this report, we present a fine‐needle aspiration biopsy (FNA) of a metastatic melanoma with basaloid features that is occurring in the preauricular/parotid area. The patient is a 17‐year‐old male with a history of excision of melanoma of the left temple, and was undergoing adjuvant treatment with nivolumab. The prior excision was positive for S100, HMB‐45, melan‐A, and tyrosinase. On follow‐up, he presented with non‐FDG avid left preauricular area lesions. FNA was performed, and on‐site evaluation demonstrated a cellular basaloid neoplasm with focal fibrillary stroma. Immunohistochemical stains revealed that the tumor cells were positive for SOX‐10, S100, MITF, and HMGA2, and were negative for HMB‐45, melan‐A, tyrosinase, p63, cam 5.2 and PLAG1. The positive S100, SOX‐10, and MITF results and negative cam 5.2 result supported the diagnosis of melanoma. Nivolumab was then stopped, Dabrafenib/Trametinib were started, and the patient underwent excision of the nodules. Nine‐months later, he developed a rib metastasis that was positive for S100, SOX‐10, melan‐A, and tyrosinase. This report emphasizes that melanoma involving the parotid gland region has the potential to be misdiagnosed by FNA as a salivary gland neoplasm because of overlapping cytologic features and immunophenotypes. This pitfall is avoided by careful morphologic analysis and judicious use of ancillary studies.
Pkd1 and Wnt5a genetically interact to control lymphatic vascular morphogenesis in mice
Authors: Chau Tevin C. Y. , Baek Sungmin , Coxam Baptiste , Skoczylas Renae , Rondon‐Galeano Maria , Bower Neil I. , Wainwright Elanor N. , Stacker Steven A. , Cooper Helen M. , Koopman Peter A. , Lagendijk Anne K. , Harvey Natasha L. , François Mathias , Hogan Benjamin M. 
Published: June 2021

ABSTRACTBackgroundLymphatic vascular development is regulated by well‐characterized signaling and transcriptional pathways. These pathways regulate lymphatic endothelial cell (LEC) migration, motility, polarity, and morphogenesis. Canonical and non‐canonical WNT signaling pathways are known to control LEC polarity and development of lymphatic vessels and valves. PKD1, encoding Polycystin‐1, is the most commonly mutated gene in polycystic kidney disease but has also been shown to be essential in lymphatic vascular morphogenesis. The mechanism by which Pkd1 acts during lymphangiogenesis remains unclear.ResultsHere we find that loss of non‐canonical WNT signaling components Wnt5a and Ryk phenocopy lymphatic defects seen in Pkd1 knockout mice. To investigate genetic interaction, we generated Pkd1;Wnt5a double knockout mice. Loss of Wnt5a suppressed phenotypes seen in the lymphatic vasculature of Pkd1−/− mice and Pkd1 deletion suppressed phenotypes observed in Wnt5a−/− mice. Thus, we report mutually suppressive roles for Pkd1 and Wnt5a, with developing lymphatic networks restored to a more wild type state in double mutant mice. This genetic interaction between Pkd1 and the non‐canonical WNT signaling pathway ultimately controls LEC polarity and the morphogenesis of developing vessel networks.ConclusionOur work suggests that Pkd1 acts at least in part by regulating non‐canonical WNT signaling during the formation of lymphatic vascular networks.
Hatching date influences winter habitat occupancy: Examining seasonal interactions across the full annual cycle in a migratory songbird
Authors: Akresh Michael E. , King David I. , Marra Peter P. 
Published: June 2021

AbstractBirds experience a sequence of critical events during their life cycle, and past events can subsequently determine future performance via carry‐over effects. Events during the non‐breeding season may influence breeding season phenology or productivity. Less is understood about how events during the breeding season affect individuals subsequently in their life cycle. Using stable carbon isotopes, we examined carry‐over effects throughout the annual cycle of prairie warblers (Setophaga discolor), a declining Nearctic–Neotropical migratory passerine bird. In drier winters, juvenile males that hatched earlier at our study site in Massachusetts, USA, occupied wetter, better‐quality winter habitat in the Caribbean, as indicated by depleted carbon isotope signatures. For juveniles that were sampled again as adults, repeatability in isotope signatures indicated similar winter habitat occupancy across years. Thus, hatching date of juvenile males appears to influence lifetime winter habitat occupancy. For adult males, reproductive success did not carry over to influence winter habitat occupancy. We did not find temporally consecutive “domino” effects across the annual cycle (breeding to wintering to breeding) or interseasonal, intergenerational effects. Our finding that a male's hatching date can have a lasting effect on winter habitat occupancy represents an important contribution to our understanding of seasonal interactions in migratory birds.
Temporal patterns of forest seedling emergence across different disturbance histories
Authors: Bowd Elle J. , McBurney Lachlan , Blair David P. , Lindenmayer David B. 
Published: June 2021

Abstract

Forest ecosystems experience a myriad of natural and anthropogenic disturbances that shape ecological communities. Seedling emergence is a critical, preliminary stage in the recovery of forests post​ disturbance and is triggered by a series of abiotic and biotic changes. However, the long‐term influence of different disturbance histories on patterns of seedling emergence is poorly understood.

Here, we address this research gap by using an 11‐year dataset gathered between 2009 and 2020 to quantify the influence of different histories of natural (wildfire) and anthropogenic (clearcut and postfire salvage logging) disturbances on emerging seedlings in early‐successional Mountain Ash forests in southeastern Australia. We also describe patterns of seedling emergence across older successional forests varying in stand age (stands that regenerated in <1900s, 1939, 1970–90, and 2007–11).

Seedling emergence was highest in the first three years post disturbance. Stand age and disturbance history significantly influenced the composition and abundance of plant seedlings. Specifically, in salvage‐logged forests, plant seedlings were the most different from similarly aged forests with other disturbance histories. For instance, relative to clearcut and unlogged, burnt forests of the same age, salvage logging had the lowest overall richness, the lowest counts of Acacia seedlings, and an absence of common species including Acacia obliquinervia, Acacia frigescens, Cassinia arcuealta, Olearia argophylla, Pimelea axiflora, Polyscias sambucifolia, and Prosanthera melissifolia over the survey period.

Synthesis: Our findings provide important new insights into the influence of different disturbance histories on regenerating forests and can help predict plant community responses to future disturbances, which may influence forest recovery under altered disturbance regimes.
Relevant factors for neurologists to define effectiveness of migraine preventive drugs and take decisions on treatment. My‐LIFE European Delphi survey
Authors: Pozo‐Rosich Patricia , Gil‐Gouveia Raquel , Donnet Anne , Poole Anne‐Christine , Gendolla Astrid , Afridi Shazia , Sanchez‐De la Rosa Rainel , Terwindt Gisela M. , Tassorelli Cristina 
Published: June 2021

AbstractBackgroundClinical guidelines agree that preventive treatment should be considered in patients with uncontrolled migraine despite acute medications or patients with ≥4 migraine days per month. However, the criteria to define the effectiveness of treatment and the factors that inform the decision to (dis)continue it are not clearly defined in clinical practice.MethodsOverall, 148 healthcare practitioners from five European countries completed a two‐wave questionnaire. The Steering Committee defined a simulated set of 108 migraine patient profiles based on the combination of five factors (frequency of the attacks, intensity of the attacks, use of acute migraine medications, patient perception and presence/absence of tolerable side effects). These profiles were used in a Delphi survey among European neurologists to identify the criteria that should be used to decide treatment response and continuation using a conjoint analysis approach.ResultsConsensus was reached for 82/108 (76%) of profiles regarding treatment response, and for 86/108 (80%) regarding treatment continuation. Multivariable logistic regression analysis showed that a ≥50% reduction in the use of acute migraine medications and positive patient's perception of treatment were the most important factors that lead to the decision of continuing (combined factors, OR = 18.3, 95% CI 13.4–25.05).ConclusionsThis survey identifies two relevant outcome measures: one objective (use of acute migraine treatment medications) and one subjective (positive patient perception) that guide the clinician decision to continue preventive treatment in migraine patients.SignificanceIn clinical practice, criteria to define the effectiveness of migraine preventive treatment and factors that guide treatment stop or continuation are not clearly defined. In this simulated clinical setting study, a reduction in the use of acute migraine medications was the factor associated with preventive treatment effectiveness definition. This study also revealed that factors strongly associated with the decision of treatment continuation in real life are the acute migraine medications use and a positive patient's perception of treatment effectiveness.
Neuroscience literacy and substance use prevention: How well do young people understand their brain?
Authors: Debenham Jennifer , Newton Nicola , Champion Katrina , Lawler Siobhan , Lees Briana , Stapinski Lexine , Teesson Maree , Birrell Louise 
Published: June 2021

AbstractIssueReducing substance use harm in young people is a major public health priority, however, health promotion messages often struggle to achieve meaningful engagement. Neuroscience‐based teachings may provide an innovative new way to engage young people in credible harm minimisation health promotion. This study aims to evaluate the acceptability and credibility of a series of neuroscience‐based drug education animations and investigate neuroscience literacy in young people.MethodsThree animations were developed around the impact of alcohol, MDMA and cannabis use on the growing brain, labelled the ‘Respect Your Brain’ video series. Sixty young people (mean age 21.9 years; 48% female) viewed the animations and completed a 20‐minute web‐based, self‐report survey to provide feedback on the animations and a 19‐item neuroscience literacy survey, assessing knowledge and attitudes towards the brain.ResultsThe Alcohol, Cannabis and MDMA videos were rated as good or very good by the majority of participants (82%, 89% and 85%, respectively) and all participants wanted to see more ‘Respect your Brain’ videos. On average the Alcohol, Cannabis and MDMA videos were rated as containing the right level of detail and being interesting, relevant and engaging by the majority of participants (80%, 81% and 83%, respectively). Participants scored an average of 74% in the neuroscience literacy questionnaire, demonstrating some knowledge of brain functioning and positive attitudes towards the brain.ConclusionThis study provides evidence that age‐appropriate, neuroscience‐based resources on alcohol, Cannabis and MDMA are engaging and relevant to young people and offer a potential new avenue to reduce alcohol and other drug related harm and promote healthy lifestyle choices in young people.