bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polyphenol Composition, Anticholinesterase and Antioxidant Potential of the Extracts of Clinopodium vulgare L.
Authors: Bektašević Mejra , Politeo Olivera , Roje Marin , Jurin Mladenka 
Published: March 2022

AbstractClinopidium vulgare L. (wild basil, Lamiaceae) is a well‐known medicinal plant used in the traditional medicine in many countries. Medicinal plants present potential sources of bioactive compounds. Many of them are rich in polyphenol compounds that show biological potential in terms of protecting biological molecules from oxidation and in inhibition of cholinesterase enzymes, which may be significant in the treatment of diseases related to oxidative stress. In this work, we examined the chemical composition of Clinopodium vulgare L. hot water and methanol extract using spectroscopic and HPLC/DAD techniques. Using DPPH and FRAP methods the antioxidant activity was analyzed. The ability to protect proteins and lipids from oxidation was also determined as well as the ability of extracts to inhibit cholinesterase enzymes using Ellman's method. Analyzed extracts were rich in polyphenol compounds. Among 16 identified and quantified phenolic compounds dominant were: rosmarinic (26.63 and 34.21 mg/g) and ellagic acid (23.11 and 29.31 mg/g) of hot water and methanol extract, respectively. They show good antioxidant activity and good potential in protecting lipids from oxidation. The ability of extracts to inhibit enzyme acetylcholinesterase was weak, while inhibition of the butyrylcholinesterase was missing. Extracts show prooxidant activity in terms of protecting proteins from oxidation.
Proteomic Tools for the Quantitative Analysis of Artificial Peptide Libraries: Detection and Characterization of Target‐Amplified PD‐1 Inhibitors
Authors: Gay Marina , Díaz‐Lobo Mireia , Gusi‐Vives Mar , Arauz‐Garofalo Gianluca , Vilanova Mar , Giralt Ernest , Vilaseca Marta , Guardiola Salvador 
Published: April 2022

AbstractWe report a quantitative proteomics data analysis pipeline, which coupled to protein‐directed dynamic combinatorial chemistry (DDC) experiments, enables the rapid discovery and direct characterization of protein‐protein interaction (PPI) modulators. A low‐affinity PD‐1 binder was incubated with a library of >100 D‐peptides under thiol‐exchange favoring conditions, in the presence of the target protein PD‐1, and we determined the S‐linked dimeric species that resulted, amplified in the protein samples versus the controls. We chemically synthesized the target dimer candidates and validated them by thermophoresis binding and protein‐protein interaction assays. The results provide a proof‐of‐concept for using this strategy in the high‐throughput search of improved drug‐like peptide binders that block therapeutically relevant protein‐protein interactions.
Diversifying STEM pathways: A look into upward transfer students’ sense of belonging in computing
Authors: Blaney Jennifer M. , Barrett Julia , Choi Yoon Ha 
Published: March 2022

AbstractThis article discusses transfer pathways to Science, Technology, Engineering, and Mathematics (STEM) degrees and highlights ways in which existing literature on equity in STEM fails to represent transfer student experiences, limiting opportunities to support transfer students and diversify STEM programs. More specifically, we synthesize findings across research studies—focusing closely on recent studies of disparities in students’ sense of belonging in computing—to make a case that existing research on equity in computing is not generalizable to students following upward transfer pathways to their computing degree. Implications for centering upward transfer students’ experiences in future research and practice are discussed.
Enhanced Specific Capacitance and Stability of Polyaniline by Nafion Doping
Authors: Fu Xudong , Xia Chunguang , Qu Jingwen , Lei Shulin , Zuo Xingping , Mao Zihan , Liu Qingting , Luo Ping , Zhang Rong , Hu Shengfei 
Published: March 2022

AbstractPolyaniline (PANI) is a promising electrode material for supercapacitors, but its reported specific capacitance is much lower than its theoretical capacitance. This is because the PANI molecular chains are tightly packed, and the electrolyte is left with a difficult path to penetrate into the interior regions of PANI. Large anions can be doped into PANI and expand the distance between adjacent PANI molecular chains, thereby increasing the utilization of PANI. In this work, Nafion‐doped PANI was synthesized by in situ chemical polymerization in aniline monomer and Nafion solution and the Nafion content was tuned to improve the overall performance. The specific capacitance of Nafion‐doped PANI with an optimized Nafion content (4.76 wt %) reached 603.9 and 378.4 F/g at 1 and 50 mV/s), which are both higher than that of PANI (580.0 and 347.7 F/g at 1 and 50 mV/s). The capacitance retention of Nafion (16.67 wt %)‐doped PANI was 64.89 % after 1000 cycles, which is better than that of PANI alone (20.25 %). This work provides a facile approach to increasing the utilization of PANI as an electrode material for supercapacitors.
A brief note on a new faster covariate's selection (fCovSel) algorithm
Authors: Mishra Puneet 
Published: March 2022

AbstractCovariate's selection (CovSel) is a variable selection technique in the domain of chemometrics and is commonly used for extracting variables carrying high covariance with response variables. CovSel is a special case of partial least square analysis, where at each weight estimation step, the weight vector is of the binary form to select the variables. In the earlier algorithm of the CovSel which is identical to the nonlinear iterative partial least square (NIPALS), there is a key step of predictor matrix deflation which makes it a time‐consuming approach leading to longer time consumption during tasks such as cross‐validation or in multiblock multiway CovSel scenarios where a wide number of variables combinations are usually explored for model optimization. We present a new CovSel algorithm called faster CovSel (fCovSel) which drops the need for predictor matrix deflation. By dropping the predictor matrix deflation step, the method naturally becomes faster than the CovSel based on NIPALS. Mathematical and analytical comparisons of the CovSel and the fCovSel in terms of achieving the same solution and time requirements are presented.
First‐Principles Design of Na‐ion Superionic Conductors: Interstitial‐Based Na Diffusion in NaCuZrS3
Authors: Wang Yuandong , Lin Aming , Chai Jun , Ming Chen , Sun Yi‐Yang 
Published: March 2022

AbstractIn recent years all‐solid‐state sodium‐ion batteries (SS‐SIBs) have drawn significant attention due to their potential to be safer and lower cost than lithium‐ion batteries. However, the lack of sodium solid‐state electrolytes with high ionic conductivity has become one of the major challenges. Here, with first‐principles computation we took NaCuZrS3, consisting of earth‐abundant and environmentally benign elements only, as an example to study Na‐ion transport in the post‐perovskite‐like structure and used computation‐guided design to improve its potential as a solid‐state electrolyte. With ab initio molecular dynamics simulation and nudged elastic band calculation, we studied possible diffusion mechanisms in this material and found that Na ion interstitials have a favorable migration barrier of 0.22 eV, which is among the smallest in the literature reported values. Considering the large formation energy of Frenkel defects, we proposed doping strategy to introduce extra Na interstitials in the material. Our study suggests that the post‐perovskite‐like sulfides are worth of exploration for applications in SS‐SIBs.
Glucosylated 5‐Hydroxymethylpyrimidines as Epigenetic DNA Bases Regulating Transcription and Restriction Cleavage
Authors: Chakrapani Aswathi , Ruiz‐Larrabeiti Olatz , Pohl Radek , Svoboda Martin , Krásný Libor , Hocek Michal 
Published: March 2022

Abstract5‐(β‐d‐Glucopyranosyloxymethyl)‐2’‐deoxyuridine and ‐cytidine 5’‐O‐triphosphates were prepared and used for polymerase‐mediated (primer extension or PCR) synthesis of DNA containing glucosylated 5‐hydroxymethyluracil (5hmU) or 5‐hydroxymethyluracil (5hmC). The presence of any glucosylated pyrimidines fully protected DNA from cleavage by type II restriction endonucleases. On the other hand, while the presence of glucosylated 5hmU completely inhibited transcription by bacterial (Escherichia coli) RNA polymerase, the DNA containing the corresponding glucosylated 5hmC allowed a similar level of transcription as natural DNA. This suggests different roles of these hypermodified bases in the epigenetic regulation of transcription in bacteriophages or kinetoplastid parasites. Consequently, enzymatic glucosylation of 5hmC‐containing DNA can be used for tuning of transcription activity.
Design, Synthesis, and Biological Evaluation of Tetrahydro‐α‐carbolines as Akt1 Inhibitors That Inhibit Colorectal Cancer Cell Proliferation
Authors: Li Guo , He Xiang‐Hong , Li He‐Ping , Zhao Qian , Li Dong‐Ai , Zhu Hong‐Ping , Zhang Yue‐Hua , Zhan Gu , Huang Wei 
Published: March 2022

AbstractA series of densely functionalized THαCs were designed and synthesized as Akt1 inhibitors. Organocatalytic [3+3] annulation between indolin‐2‐imines 1 and nitroallylic acetates 2 provided rapid access to this pharmacologically interesting framework. In vitro kinase inhibitory abilities and cytotoxicity assays revealed that compound 3 af [(3S*,4S*)‐4‐(4‐bromo‐2‐fluorophenyl)‐9‐methyl‐3‐nitro‐1‐tosyl‐2,3,4,9‐tetrahydro‐1H‐pyrido[2,3‐b]indole] was the most potent Akt1 inhibitor, and mechanistic study indicated that compound 3 af suppressed the proliferation of colorectal cancer cells via inducing apoptosis and autophagy. Molecular docking suggested that the indole fragment of 3 af was inserted into the hydrophobic pocket of Akt1 protein, and the H‐bond between 3 af and residue Lys179 also contributed to the stable binding. This article provides an efficient strategy to design and synthesize biologically important compounds as novel Akt1 inhibitors.
Venous‐thromboembolism and associated health care utilization in elderly patients with diffuse large B cell lymphoma
Authors: Gangaraju Radhika , Davis Elizabeth S. , Bhatia Smita , Kenzik Kelly M. 
Published: April 2022

BackgroundPatients with lymphoma have an increased risk of venous thromboembolism (VTE). The authors examined the risk of VTE and subsequent health care utilization in elderly patients with diffuse large B cell lymphoma (DLBCL).MethodsA total of 5537 DLBCL patients ≥66 years old enrolled in Medicare from the Surveillance, Epidemiology, and End Results registry and a noncancer control group of Medicare beneficiaries (n = 5537) were identified. Cumulative incidence function to examine the risk of VTE 12 months after DLBCL diagnosis was used. Fine and Gray method was used to examine the risk factors associated with VTE risk in multivariable models. Total number of hospitalizations, outpatient visits, and Medicare spending were compared in DLBCL patients with and without VTE.ResultsVTE was diagnosed in 8.3% DLBCL patients and 1.5% controls, yielding an 8.6‐fold higher risk of VTE in DLBCL in adjusted analysis (95% confidence interval [CI], 6.62‐11.20; P < .001). Multivariable regression analysis showed that precancer VTE history was associated with an increased risk of developing VTE after a DLBCL diagnosis (hazard ratio [HR], 5.39; 95% CI, 4.39‐6.63), and Asian individuals were associated with a lower risk (HR, 0.54; 95% CI, 0.29‐1.00). Patients newly diagnosed with VTE after lymphoma had a 1.7‐fold higher rate of hospitalization and a 1.2‐fold higher rate of outpatient visits compared to those without, resulting in excess Medicare spending of $22,208 in the first year after DLBCL diagnosis.ConclusionsElderly patients with DLBCL have an elevated risk of VTE resulting in excess health care utilization. VTE history before DLBCL was associated with increased risk of post‐DLBCL VTE, and Asian individuals were associated with a lower risk of VTE.
The arbitrary amplitude of a solitary pulse propagating obliquely in electron spin‐polarized plasma
Authors: Gul Nabi , Ahmad Rashid 
Published: March 2022

AbstractA Separated Spin Evolution Quantum Hydrodynamics Model is employed to investigate arbitrary amplitude ion‐acoustic waves in magnetized plasma, which consists of inertia‐less degenerated electrons with spin‐up and spin‐down states, as well as inertial classical ions. In a two‐dimensional plasma geometry, a homogeneous magnetic field is assumed to be directed along the z‐axis, that is, . In the linear analysis, two branches of waves propagation are found to occur in the oblique direction. The characteristics of large‐amplitude ions solitary waves propagation in oblique direction are studied through an energy‐balance equation, by applying a Sagdeev potential approach. The parametric role of the spin density polarization ratio on the properties of solitary wave structures, as well as other important plasma parameters, is traced analytically. The scope of our work is significant to study dilute magnetic semiconductors, magnetosphere, and as well as astrophysical systems.
Dynamic task offloading for Internet of Things in mobile edge computing via deep reinforcement learning
Authors: Chen Ying , Gu Wei , Li Kaixin 
Published: March 2022

SummaryWith the development of Internet of Things (IoT), more and more computation‐intensive tasks are generated by IoT devices. Due to the limitation of battery and computing capacity of IoT devices, these tasks can be offloaded to mobile edge computing (MEC) and cloud for processing. However, as the channel states and task generation process are dynamic, and the scales of task offloading problem and solution space size are increasing rapidly, the collaborative task offloading for MEC and cloud faces severe challenges. In this paper, we integrate the two conflicting offloading goals, which are maximizing the task finish ratio with tolerable delay and minimizing the power consumption of devices. We formulate the task offloading problem to balance the two conflicting goals. Then, we reformulate it as an MDP‐based dynamic task offloading problem. We design a deep reinforcement learning (DRL)‐based dynamic task offloading (DDTO) algorithm to solve this problem. Our DDTO algorithm can adapt to the dynamic and complex environment and adjust the task offloading strategies accordingly. Experiments are also carried out which show that our DDTO algorithm can converge quickly. The experiment results also validate the effectiveness and efficacy of our DDTO algorithm in balancing finish ratio and power.
Facial muscle modification associated with chiropteran noseleaf development: Insights into the developmental basis of a movable rostral appendage in mammals
Authors: Usui Kaoru , Khannoon Eraqi R. , Tokita Masayoshi 
Published: April 2022

AbstractBackgroundMammal evolution has generated diverse craniofacial morphologies, including remarkable movable rostral appendages. However, the muscular and skeletal architecture providing the mobility of these appendages remains largely unexplored. Here, we focus on chiropteran noseleaves and compare the three‐dimensional internal morphology of late‐stage embryos between the greater horseshoe bat Rhinolophus ferrumequinum, which possesses a noseleaf, and the Asian bent‐winged bat Miniopterus fuliginosus and Egyptian fruit bat Rousettus aegyptiacus, which do not. We also assess earlier stage cell proliferation within the rostrum to elucidate cellular mechanisms underlying noseleaf‐associated morphological modifications.ResultsThe musculus maxillolabialis inserted into proximal vibrissae follicles in M fuliginosus and R aegyptiacus embryos but instead inserted into the horseshoe plate in R ferrumequinum. This modification suggests that the M maxillolabialis has adapted to controlling the noseleaf rather than vibrissae in rhinolophid bats. Our cellular analysis showed higher cell proliferation within the maxillary and frontonasal processes of St. 14 embryos in R ferrumequinum compared to M fuliginosus and R aegyptiacus, suggesting that the spatial alteration of noseleaf‐associated muscle is derived from changes in facial morphogenesis that occur by St. 14.ConclusionThis is the first study clarifying the morphological and cellular bases underlying the development of mammalian rostral appendages.
The evolution of the Aristolochia pallida complex (Aristolochiaceae) challenges traditional taxonomy and reflects large‐scale glacial refugia in the Mediterranean
Authors: Krause Cornelia , Oelschlägel Birgit , Mahfoud Hafez , Frank Dominik , Lecocq Gérard , Shuka Lulëzim , Neinhuis Christoph , Vargas Pablo , Tosunoglu Aycan , Thiv Mike , Wanke Stefan 
Published: March 2022

AbstractThe taxonomy of the Mediterranean Aristolochia pallida complex has been under debate since several decades with the following species currently recognized: A. pallida, A. lutea, A. nardiana, A. microstoma, A. merxmuelleri, A. croatica, and A. castellana. These taxa are distributed from Iberia to Turkey. To reconstruct phylogenetic and biogeographic patterns, we employed cpDNA sequence variation using both noncoding (intron and spacer) and protein‐coding regions (i.e., trnK intron, matK gene, and trnK‐psbA spacer). Our results show that the morphology‐based traditional taxonomy was not corroborated by our phylogenetic analyses. Aristolochia pallida, A. lutea, A. nardiana, and A. microstoma were not monophyletic. Instead, strong geographic signals were detected. Two major clades, one exclusively occurring in Greece and a second one of pan‐Mediterranean distribution, were found. Several subclades distributed in Greece, NW Turkey, Italy, as well as amphi‐Adriatic subclades, and a subgroup of southern France and Spain, were revealed. The distribution areas of these groups are in close vicinity to hypothesized glacial refugia areas in the Mediterranean. According to molecular clock analyses the diversification of this complex started around 3–3.3 my, before the onset of glaciation cycles, and the further evolution of and within major lineages falls into the Pleistocene. Based on these data, we conclude that the Aristolochia pallida alliance survived in different Mediterranean refugia rarely with low, but often with a high potential for range extension, and a high degree of morphological diversity.
Mechanism underlying painful radiculopathy in patients with lumbar disc herniation
Authors: Samuelly‐Leichtag Gil , Eisenberg Elon , Zohar Yaniv , Andraous Maisa , Eran Ayelet , Sviri Gill E. , Keynan Ory 
Published: March 2022

AbstractBackgroundPainful lumbar radiculopathy is a neuropathic pain condition, commonly attributed to nerve root inflammation/compression by disc herniation. The present exploratory study searched for associations between pain intensity and inflammatory markers, herniated disc size, infection, psychological factors and pain modulation in patients with confirmed painful lumbar radiculopathy scheduled for spine surgery.MethodsPrior to surgery, 53 patients underwent the following evaluation: pain intensity measured on a 0–10 numeric rating scale (NRS) and the Short‐Form McGill Pain Questionnaire; sensory testing (modified DFNS protocol); pain processing including temporal summation and conditioned pain modulation (CPM); neurological examination; psychological assessment including Spielberger's Anxiety Inventory, Pain Sensitivity Questionnaire and the Pain Catastrophizing Scale. Pro‐inflammatory cytokine levels (IL‐1b, IL‐6, IL‐8, IL‐17, TNFα, IFNg) and microbial infection (ELISA and rt‐PCR) in blood and disc samples obtained during surgery. MRI scans assessments for disc herniation size/volume (MSU classification/ three‐dimensional volumetric analysis).ResultsComplete data were available from 40 (75%) patients (15 female) aged 44.8 ± 16.3 years. Pain intensity (NRS) positively correlated with pain catastrophizing and CPM (r = 0.437, p = 0.006; r = 0.421, p = 0.007; respectively), but not with disc/blood cytokine levels, bacterial infection or MRI measures. CPM (p = 0.001) and gender (p = 0.029) were associated with average pain intensity (adjusted R2 = 0.443).ConclusionsThis exploratory study suggests that pain catastrophizing, CPM and gender, seem to contribute to pain intensity in patients with painful lumbar radiculopathy. The role of mechanical compression and inflammation in determining the intensity of painful radiculopathy remains obscure.Significance of studyPain catastrophizing, CPM and gender rather than objective measures of inflammation and imaging seem to contribute to pain in patients with painful radiculopathy.
Retracted: Effect of coal dust parameters on gas‐coal dust explosions in pipe networks
Authors: Jinzhang Jia , Fengxiao Wang , Jie Li , Jinchao Zhu , Yinuo Chen 
Published: April 2022

AbstractTo study the effects of particle size of coal dust and mass concentration of coal dust on gas‐coal dust explosions, we conducted sedimentary gas‐coal dust explosion experiments using a pipe network system that included multiple components and individual interactions, which were independently designed and constructed. Experimental conclusions were then theoretically verified based on factor response surface theory. When the particle size of coal dust was constant, the maximum explosion pressure, flame propagation velocity, and flame temperature of the explosion initially increased and then decreased with increasing mass concentration. When the mass concentration of coal dust was constant, the maximum explosion pressure, flame propagation velocity, and flame temperature of the explosion also initially increased and then decreased with increasing particle size. The mass concentration and particle size values of the coal dust were 100 g/m3 and 50 μm, respectively, and under these conditions, the explosion was the most violent. The effects of mass concentration on the maximum explosion pressure and flame temperature were greater than the particle size of the coal dust, and the effect of particle size on the flame front velocity was greater than the mass concentration of the coal dust. The conclusions obtained in this study provide a generalized theoretical basis for the effects of coal dust on hybrid gas‐coal dust explosions.
Roadside units plane optimization scheme in software‐defined vehicular networks
Authors: Mao Ming , Yi Peng , Zhang Jianhui , Wang Liang , Gu Yuan , Zhang Guanying 
Published: April 2022

AbstractAs a new research field, software‐defined vehicular networks (SDVN) provide a novel idea for the network management of the internet of vehicles. Due to the time‐sensitivity of vehicle edge networks, time delay optimization for flow rule management is of great significance to improve system performance. Some existing SDVN architectures select part of the underlying roadside units (RSUs) as underlying controllers to assist the upper control plane. There is no mention of how to optimize the state switching between the RSU controller and the common RSU, which may increase the delay and communication overhead. This paper proposes an RSU plane optimization scheme to reduce the state fluctuation between RSUs with control functions. Firstly, we propose a state fluctuation optimization model of the RSU plane. Secondly, the division method and dynamic adjustment strategy of the RSU plane are designed. Finally, a position prediction method is utilized to realize the pre‐installation of flow rules. We use two common methods (greedy and dynamic schemes) to compare with the minimum state fluctuation approach. The simulation analyzes the performance using four parameters. Under the same conditions, the proposed scheme can reduce the flow setup delay and end‐to‐end delay, while reducing the number of controllers and overhead.