bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, synthesis, and biological evaluation of 5‐aminotetrahydroquinoline‐based LSD1 inhibitors acting on Asp375
Authors: Yan Jiangkun , Gu Yanting , Sun Yixiang , Zhang Ziheng , Zhang Xiangyu , Wang Xinran , Wu Tianxiao , Zhao Dongmei , Cheng Maosheng 
Published: May 2021

AbstractThe abnormal expression of lysine‐specific histone demethylase 1 (LSD1) is associated with different cancer types, and LSD1 inhibitory activity seems to have high therapeutic potential in cancer treatment. Here, we report the design, synthesis, and biochemical evaluation of novel 5‐aminotetrahydroquinoline‐based LSD1 inhibitors. Among them, compounds A6, A8, B1–B5, and C4 showed preferable inhibitory effects on LSD1, with IC50 = 0.19–0.82 µM. Several potent compounds were selected to evaluate their antiproliferative activity on A549 cells and MCF‐7 cells with a high expression of LSD1. The potential binding modes of the compounds were revealed through molecular docking to rationalize the potency of compounds toward LSD1. Our data recognized that the 5‐aminotetrahydroquinoline scaffold may serve as a starting point for developing potent LSD1 inhibitors for cancer therapy.
Development of detection methods for the diagnosis and analysis of highly toxic metal phosphides: A comprehensive and critical review
Authors: Mohammadinejad Arash , Rizi Kobra Salimiyan , Oskuee Reza Kazemi , Aryan Ehsan , Meshkat Zahra , Ulianas Alizar , Rezayi Majid 
Published: May 2021

AbstractMetal phosphides, especially aluminum phosphide, and phosphine (PH3) are widely used as insecticides and rodenticides for protection of grains during process of storage and transportation. The main reason of poisoning with this compound is related to the conscious ingestion of salts or accidental inhalation of PH3. So the early and accurate diagnosis of poisoning can significantly help to the effective clinical treatment or recognition of death cause. PH3 is somewhat unstable due to reaction with oxygen or hemoglobin leading to formation of oxy‐acids phosphorous. Here, we critically reviewed the literature introducing the quantitative and qualitative methods for the detection of metal phosphides, PH3, and its products. This study obviously demonstrates that during past years, different diagnosis methods have been remarkably progressed. Head‐space gas chromatography and confirmatory colorimetric methods have been as the most popular techniques. Also, the gas sensors are a promising method that must be more progressed.
Co‐translational folding of nascent polypeptides: Multi‐layered mechanisms for the efficient biogenesis of functional proteins
Authors: Maciuba Kevin , Rajasekaran Nandakumar , Chen Xiuqi , Kaiser Christian M. 
Published: May 2021

AbstractThe coupling of protein synthesis and folding is a crucial yet poorly understood aspect of cellular protein folding. Over the past few years, it has become possible to experimentally follow and define protein folding on the ribosome, revealing principles that shape co‐translational folding and distinguish it from refolding in solution. Here, we highlight some of these recent findings from biochemical and biophysical studies and their potential significance for cellular protein biogenesis. In particular, we focus on nascent chain interactions with the ribosome, interactions within the nascent protein, modulation of translation elongation rates, and the role of mechanical force that accompanies nascent protein folding. The ability to obtain mechanistic insight in molecular detail has set the stage for exploring the intricate process of nascent protein folding. We believe that the aspects discussed here will be generally important for understanding how protein synthesis and folding are coupled and regulated.
Serious games for teaching agile methods: A review of multivocal literature
Authors: Rodríguez Guillermo , González‐Caino Pablo C. , Resett Santiago 
Published: May 2021

AbstractSerious games (SGs) have emerged to improve the commitment and performance of user players, since they perform an exact mission, integrating with the game mechanics, thus creating a very attractive mission. In software engineering (SE), SGs have been addressed to increase the commitment of developers. Moreover, the use of SGs is of great interest to train and train future professionals to experience situations that they could face in software development. This study presents a multivocal literature review (MLR) to systematize and categorize the state‐of‐the‐art of SGs for teaching Agile Methods. The MLR allowed software practitioners and teachers to identify cutting‐edge methods for evaluating SGs, application domains in which the assessments were carried out, and the main features considered for assessing the educational benefits of SGs. For academics and professionals eager to test SGs in the training field of Agile Methods, the findings are helpful to (i) provide evidence regarding the usage of games in SE education, (ii) design game‐based teaching/learning strategies, and (iii) offer a repertoire of tactics for assessing the use of SGs in SE courses. In conclusion, the knowledge collected was structured and classified to provide a response to our research questions, aimed at providing a summary of the key research in this area, as well as defining open issues in the field.
A literature review exploring the mental health issues in academy football players following career termination due to deselection or injury and how counselling could support future players
Authors: Wilkinson Richard James 
Published: May 2021

AbstractThe aim of this literature review was to show the mental health impact to academy football players after career termination due to deselection or injury. The review will also broaden to look at research around career termination in other sports. The place where this type of support could be implemented is within football clubs, before, during and post‐deselection or career termination for injured players. Previous research on this subject has relied on player case studies and questionnaires, and this has been unable to provide any substitutional evidence that deselected players are been given appropriate support. This is fundamentally destructive for players considering the high percentage of them being released (99% being released before their scholarship and 85% afterwards). This review looks at the limited research that has been published over the last few years to gain a better understanding of how this serious issue is overlooked. It focuses on what support is currently available and provides evidence to show how professional associations such as the PFA (Professional Football Association) and the LFE (League Football Education) treat deselected football players. The findings indicate that while the Elite Player Performance Plan supports players through education and by funding better facilities for clubs, the model bypasses emotional and psychological support for players before, during and after deselection, leaving an opening for the introduction of counselling services to support the players through this transition.
A rare case of compartment syndrome and myonecrosis in a patient with hemoglobin SC disease
Authors: Al Moosawi Muntadhar , Ezzat Hatoon 
Published: May 2021

AbstractMyonecrosis and compartment syndrome are rarely seen in sickle cell disease (SCD), and they have not been previously reported in HbSC disease. This case can potentially be recognized as the first case of a patient with HbSC presenting with spontaneous myonecrosis and compartment syndrome.
3D Printed Reactionware for Synthetic Electrochemistry with Hydrogen Fluoride Reagents
Authors: Heard David M. , Doobary Sayad , Lennox Alastair J. J. 
Published: May 2021

AbstractElectrochemical fluorination reactions of organic compounds frequently employ hydrogen fluoride reagents that are corrosive. The corrosive nature of these reagents necessitates either the construction or purchase of cells that are stable to hydrogen fluoride, which require high‐cost materials, machining time and expertise. Herein, we offer an alternative solution using 3D printing, which is an inexpensive and rapid manufacturing technique. We have designed, printed and shared four different cell types in polypropylene and tested them in an electrochemical alkene difluorination reaction in the presence of triethylamine ⋅ 3HF and pyridinium poly ⋅ (HF).
What Is the Catalytic Mechanism of Enzymatic Histone N‐Methyl Arginine Demethylation and Can It Be Influenced by an External Electric Field?
Authors: Ramanan Rajeev , Waheed Sodiq O. , Schofield Christopher J. , Christov Christo Z. 
Published: May 2021

AbstractArginine methylation is an important mechanism of epigenetic regulation. Some Fe(II) and 2‐oxoglutarate dependent Jumonji‐C (JmjC) Nϵ‐methyl lysine histone demethylases also have N‐methyl arginine demethylase activity. We report combined molecular dynamic (MD) and Quantum Mechanical/Molecular Mechanical (QM/MM) studies on the mechanism of N‐methyl arginine demethylation by human KDM4E and compare the results with those reported for N‐methyl lysine demethylation by KDM4A. At the KDM4E active site, Glu191, Asn291, and Ser197 form a conserved scaffold that restricts substrate dynamics; substrate binding is also mediated by an out of active site hydrogen‐bond between the substrate Ser1 and Tyr178. The calculations imply that in either C−H or N−H potential bond cleaving pathways for hydrogen atom transfer (HAT) during N‐methyl arginine demethylation, electron transfer occurs via a σ‐channel; the transition state for the N−H pathway is ∼10 kcal/mol higher than for the C−H pathway due to the higher bond dissociation energy of the N−H bond. The results of applying external electric fields (EEFs) reveal EEFs with positive field strengths parallel to the Fe=O bond have a significant barrier‐lowering effect on the C−H pathway, by contrast, such EEFs inhibit the N−H activation rate. The overall results imply that KDM4 catalyzed N‐methyl arginine demethylation and N‐methyl lysine demethylation occur via similar C−H abstraction and rebound mechanisms leading to methyl group hydroxylation, though there are differences in the interactions leading to productive binding of intermediates.
Simple amino silyl ether organocatalyst for asymmetric hetero Diels–Alder reaction of isatins with enones
Authors: Parasuraman Perumalsamy , Ganesan Divakar , Begum Zubeda , Seki Chigusa , Okuyama Yuko , Kwon Eunsang , Uwai Koji , Tokiwa Michio , Tokiwa Suguru , Takeshita Mitsuhiro , Nakano Hiroto 
Published: May 2021

AbstractNew two catalysts component system comprising of a primary β‐amino silyl ethers as an organocatalyst and N‐protected amino acids as a co‐catalyst put together worked as an efficient organocatalyst system in the hetero Diels–Alder reaction of isatins with enones affording the chiral spirooxindole‐tetrahydropyranones in good chemical yields and stereoselectivities (up to 94%, up to dr 78:22., up to 85% ee).
Thermokinetic study of macadamia carpel pyrolysis using thermogravimetric analysis
Authors: Moreira Kelly C. C. S. R. , Xavier Thiago P. , de Araújo Jesuína C. S. , dos Santos Kássia G. , de Lira Taisa S. 
Published: May 2021

AbstractThe macadamia productive process generates a large amount of waste, such as walnut carpel, that is improperly disposed of in most instances. This residue is a promising feedstock for biofuel production and it can be converted through thermochemical routes. Liquid pyrolysis products obtained contain a bio‐oil with great potential for the production of fuels and fine chemicals. The goal of this study was to characterize the macadamia carpel for the first time by ultimate, proximate, FTIR, and TG analysis, as well as HHV determination, which showed this is a potential candidate for thermochemical conversion processes. Thermodynamic and kinetic pyrolysis behaviours were evaluated using Ozawa, Kissinger, Starink, and KAS isoconversional models (140.12, 137.69, 137.41, and 146.63 kJ mol−1, respectively), which attested to the product favourability and the operational viability. Additionally, the master plot method was applied to complete the kinetic description, which identified diffusion and nucleation mechanisms during the carpel degradation. After 50% conversion, the third‐order reaction mechanism occurred due to a predominant lignin decomposition. The results showed that the macadamia carpel properties are similar to traditional feedstock, that it may be decomposed into bio‐oil, and that it can be used as an alternative energy source or bio‐chemicals precursor.
Is water saturation a fracability indicator for organic‐rich, yet low‐clay content, tight carbonate source rock reservoirs?
Authors: Liu Hui‐Hai , Zhang Jilin , Liang Feng , Basri Mustafa , Temizel Cenk , Mesdour Rabah 
Published: May 2021

AbstractHydraulically fracturing long horizontal wells is the key technology for economically producing hydrocarbon from unconventional reservoirs. A reservoir's fracability (the ease by which it can be hydraulically fractured) has often been used as an important parameter for identifying the sweet spots for production. Several fracability indicators, based on different types of rock properties, including mechanical, geochemical, and mineralogical properties, have been developed and used in industry. This study, based on observations from a source rock reservoir, proposes the use of reservoir water saturation as a new fracability indicator for organic‐rich tight carbonate source rocks that are not clay rich. The results from a machine learning model trained with the observations clearly show the strong and positive correlation between the linear flow parameter (that is obtained based on the newly proposed equivalent‐state approximation and characterizes the effectiveness of hydraulic fracturing) and the water saturation for oil wells, but not for gas wells. While further investigation is needed, the results may be due to the dual wettability of the carbonate source rock. Since minerals are more water‐wet than the organic matter, reservoir water tends to occupy pore spaces in the mineral matrix. Thus, water saturation reflects the relative portion of mineral matrix pore spaces. Given that the low‐clay content mineral matrix contains all the brittle components, the pore‐space development in the mineral matrix may have important implications for the fracability in the hydraulic fracturing process.
Listening to the experts: Parents' perspectives around infection risk and returning to education and social activities following their child's diagnosis of acute lymphoblastic leukemia
Authors: Ballantine Kirsten , Gooder Claire , Ryan Elizabeth , Macfarlane Scott 
Published: May 2021

AbstractBackgroundDuring a child's prolonged treatment for acute lymphoblastic leukemia (ALL), there is a need to balance their increased risk of developing infection‐related complications with meeting their educational and social needs.AimsTo determine the safe timing of return to social activities for children undergoing treatment for ALL and to determine how parents perceive and act on advice related to infection risk while navigating their child's “return to normal.”Methods and resultsMedical and educational attendance records were reviewed for 47 children who were diagnosed with ALL and 24 semi‐structured qualitative interviews were conducted with a representative sample of their parents. The majority of children (69%) did not return to education prior to the start of maintenance therapy regardless of the advice that the families received from their healthcare team. Those who returned earlier were at no greater risk of major infection complications (mean = 0.5) than those who did not return until after commencing maintenance (mean = 0.4, P = .74). Parents spoke of the difficulty in obtaining practical, consistent, and timely advice and of balancing infection risk with a desire to return to normalcy. Inconsistent advice and constant vigilance placed a burden on parents which often profoundly affected their mental wellbeing. Overall, parents wanted to make their own decisions about how and when their child returned to education and social activities. They made these decisions based on many factors, of which infection risk was just one.ConclusionFollowing the study conclusion, a national working group was established—including parent representatives—to implement the study recommendations. This includes the development of a range of practical resources to better support families. Health professional guidelines provide quantitative data pertaining to infection risk, while emphasizing that the returning decisions ultimately rest with the families. This research demonstrates that listening to parents—who are the experts through their lived experiences—is a critical element in creating policies that are responsive, meaningful, and widely accepted.
HAFTA: Highly adaptive fault‐tolerant routing algorithm for two‐dimensional network‐on‐chips
Authors: Ipek Anil , Tosun Suleyman , Ozdemir Suat 
Published: May 2021

AbstractLearning‐based routing algorithms are good candidates for two‐dimensional Network‐on‐Chip (NoC) architectures since they can give good path selection decisions by combining current and past state of the network traffic. On the other hand, they generally send packets through nonminimal paths in order to detour congested areas in an attempt to minimize the communication cost. Since adapting to the traffic changes takes time to gather enough feedback information by the applied learning model, non‐minimal paths may take more time than the congested minimal paths. In this work, we incorporate a probabilistic method to a Q‐learning‐based NoC routing algorithm for selecting a minimal or nonminimal path to minimize the negative effect of learning duration. We also consider the errors in the architecture and propose a fault‐tolerance mechanism that detects both transient and permanent link errors. We compared our method against a standard Q‐learning‐based routing algorithm on several traffic models in terms of throughput and latency. The results show that our method outperforms its counterpart up to 30% in latency and 7% in throughput.
Non‐linear behaviour of electron acoustic wave dynamics in a magnetized plasma with non‐thermal hot electrons
Authors: Maity Rabindranath , Sahu Biswajit , Poria Swarup 
Published: May 2021

AbstractNon‐linear dynamical behaviour of electron acoustic waves (EAWs) is studied in a magnetized non‐thermal plasma (containing inertial cold electrons, inertialess hot electrons following non‐thermal distribution function, and static ions) via a fluid dynamical approach. A linear dispersion relation is derived and the propagation of two possible modes and their evolution are studied through the different plasma configuration parameters, such as non‐thermality and external magnetic field strength. In a non‐linear perturbation regime, a reductive perturbation technique is employed to derive the non‐linear evolution equation and the analysis is executed for travelling plane waves in terms of a non‐linear dynamical system to enlighten the numerous aspects of the phase space dynamics. The results of numerical simulation predict the existence of a wide class of non‐linear structures, namely solitonic, periodic, quasiperiodic, and chaotic depending upon different controlling plasma parameters. Also, Poincaré return map analysis confirms these non‐linear structures of the EAWs.
Multiple‐access interference suppression in massive multiple‐input multiple‐output‐non‐orthogonal multiple access based on space–time block coding
Authors: Akbarian Behnam , Ghazi‐Maghrebi Saeed 
Published: May 2021

SummaryNon‐orthogonal multiple‐access (NOMA) scheme using massive multiple‐input multiple‐output (MIMO) transmission suffers from interference between users. In this paper, we propose a novel MIMO‐NOMA framework based on space–time block code (STBC) to decrease the multiple‐access interference (MAI), when the number of users is increasing. In this paper, besides giving an analysis of network, cluster, group, and users, we first present the system model. Then, an efficient precoder and detector are designed based on interference analysis. In particular, the proposed scheme can decompose a massive MIMO‐NOMA system into multiple separated single‐input single‐output NOMA channels. Also, analytical results are developed to evaluate the performance of the system. To address the dramatic increment of power level, with the aid of the proposed algorithm, the optimal solution is achieved. Mathematical analyses for both MIMO‐NOMA and STBC are presented to design efficient precoding and detection. Finally, simulation results, based on STBC, are provided to verify the theoretical analysis to demonstrate significant capacity improvements of the massive MIMO‐NOMA.
Challenges of peptide and protein drug delivery by oral route: Current strategies to improve the bioavailability
Authors: Verma Saurabh , Goand Umesh K. , Husain Athar , Katekar Roshan A. , Garg Richa , Gayen Jiaur R. 
Published: May 2021

AbstractAdvancement in biotechnology provided a notable expansion of peptide and protein therapeutics, used as antigens, vaccines, hormones. It has a prodigious potential to treat a broad spectrum of diseases such as cancer, metabolic disorders, bone disorders, and so forth. Protein and peptide therapeutics are administered parenterally due to their poor bioavailability and stability, restricting their use. Hence, research focuses on the oral delivery of peptides and proteins for the ease of self‐administration. In the present review, we first address the main obstacles in the oral delivery system in addition to approaches used to enhance the stability and bioavailability of peptide/protein. We describe the physiochemical parameters of the peptides and proteins influencing bioavailability in the systemic circulation. It encounters, many barriers affecting its stability, such as poor cellular membrane permeability at the GIT site, enzymatic degradation (various proteases), and first‐pass hepatic metabolism. Then describe the current approaches to overcome the challenges mentioned above by the use of absorption enhancers or carriers, structural modification, formulation and advance technology.