bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and discovery of new 1,2,4‐triazolo[4,3‐c]quinazolines as potential DNA intercalators and topoisomerase II inhibitors
Authors: Alesawy Mohamed S. , Al‐Karmalawy Ahmed A. , Elkaeed Eslam B. , Alswah Mohamed , Belal Ahmed , Taghour Mohammed S. , Eissa Ibrahim H. 
Published: November 2020

AbstractA new series of 1,2,4‐triazolo[4,3‐c]quinazoline derivatives was designed and synthesized as Topo II inhibitors and DNA intercalators. The cytotoxic effect of the new members was evaluated in vitro against a group of cancer cell lines including HCT‐116, HepG‐2, and MCF‐7. Compounds 14c, 14d, 14e, 14e, 15b, 18b, 18c, and 19b exhibited the highest activities with IC50 values ranging from 5.22 to 24.24 µM. Furthermore, Topo II inhibitory activities and DNA intercalating affinities of the most promising candidates were evaluated as a possible mechanism for the antiproliferative effect. The results of the Topo II inhibition and DNA binding tests were coherent with that of in vitro cytotoxicity. Additionally, the most promising compound 18c was analyzed in HepG‐2 cells for its apoptotic effect and cell cycle arrest. It was found that 18c can induce apoptosis and arrest the cell cycle at the G2–M phase. Finally, molecular docking studies were carried out for the designed compounds against the crystal structure of the DNA−Topo II complex as a potential target to explore their binding modes. On the basis of these studies, it was hypothesized that the DNA binding and/or Topo II inhibition would participate in the noted cytotoxicity of the synthesized compounds.
Novel N‐benzylpiperidine derivatives of 5‐arylisoxazole‐3‐carboxamides as anti‐Alzheimer's agents
Authors: Saeedi Mina , Felegari Peyman , Iraji Aida , Hariri Roshanak , Rastegari Arezoo , Mirfazli S. Sara , Edraki Najmeh , Firuzi Omidreza , Mahdavi Mohammad , Akbarzadeh Tahmineh 
Published: November 2020

AbstractThe complex pathophysiology of Alzheimer's disease (AD) has prompted researchers to develop multitarget‐directed molecules to find an effective therapy against the disease. In this context, a novel series of N‐(1‐benzylpiperidin‐4‐yl)‐5‐arylisoxazole‐3‐carboxamide derivatives were designed, synthesized, and evaluated against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). In vitro biological evaluation demonstrated that compound 4e was the best AChE (IC50 = 16.07 μM) and BuChE inhibitor (IC50 = 15.16 μM). A kinetic study of 4e was also conducted, which presented a mixed‐type inhibition for both enzymes. Molecular docking studies revealed that compound 4e fitted well into the active sites of AChE and BuChE, forming stable and strong interactions with key residues Glu199, Trp84, Asp72, Tyr121, and Phe288 in AChE and His438, Trp82, Ala328, Tyr332, Phe329, Thr120, and Pro285 in BuChE. Besides, the inhibition of BACE1 by 4e and the biometal chelation activity of 4e were measured. The neuroprotective assessment revealed that 4e exhibited 23.2% protection at 50 µM toward amyloid‐beta‐induced PC12 neuronal cells. Overall, this study exhibited that compound 4e was a promising compound targeting multiple factors associated with AD.
Unravelling the Role of Speciation in Glyme:Ionic Liquid Hybrid Electrolytes for Na−O2 Batteries
Authors: Garcia‐Quintana Laura , Chen Fangfang , Ortiz‐Vitoriano Nagore , Zhang Yafei , O'Dell Luke A. , MacFarlane Douglas R. , Forsyth Maria , Bond Alan M. , Howlett Patrick C. , Pozo‐Gonzalo Cristina 
Published: November 2020

AbstractThe morphology and size of the discharge products in Na−O2 batteries are largely dominated by the interactions of the electrolyte with superoxide and sodium ions; therefore, an in‐depth understanding is essential for achieving high performance batteries. Herein, we report a framework designed to understand solvation and coordination in the recently discovered hybrid electrolytes, based on glyme and a pyrrolidinium ionic liquid. FTIR and NMR spectroscopic techniques, coupled with molecular dynamics simulations, have been used to characterize these systems. We demonstrate that the presence of ionic liquid in the hybrid electrolyte affects the superoxide coordination environment by weakening the glyme‐Na+ interactions, and generating solvent separated ion pairs. All these factors lead to different deposition mechanisms, which will determine the battery performance. The Na+ solvation shell compositions, anion conformers and relative free glyme content are also evaluated. The combinatorial approach used in this study‐experimental and computational – can be applied for further design of these hybrid electrolytes and other metal – O2 chemistries and electrochemical systems.
Optimization of a transient antibody expression platform towards high titer and efficiency
Authors: Greene Elizabeth , Cazacu Daniela , Tamot Ninkka , Castellano Steven , Datar Akshita , Kronkaitis Anthony , Gebhard Douglas , Reed Jon , Mawson Paul , Florin Lore , Rossi Nicholas , Lauer Anthony , Juckem Laura , Nixon Andrew , Wenger Till , Sen Saurabh 
Published: November 2020

AbstractTransient gene expression (TGE) using mammalian cells is an extensively used technology for the production of antibodies and recombinant proteins and has been widely adopted by both academic and industrial labs. Chinese Hamster Ovary (CHO) cells have become one of the major workhorses for TGE of recombinant antibodies due to their attractive features: post‐translational modifications, adaptation to high cell densities, and use of serum‐free media. In this study, we describe the optimization of parameters for TGE for antibodies from CHO cells. Through a matrix evaluation of multiple factors including inoculum, transfection conditions, amount and type of DNA used, and post‐transfection culture conditions, we arrived at an uniquely optimized process with higher titer and reduced costs and time, thus increasing the overall efficiency of early antibody material supply. We further investigated the amount of coding DNA used in TGE and the influence of kinetics and size of the transfection complex on the in vitro efficiency of the transfection. We present here the first report of an optimized TGE platform using Filler DNA in an early drug discovery setting for the screening and production of therapeutic mAbs.
How to assess visual function in acquired brain injury—Asking is not enough
Authors: Berthold‐Lindstedt Märta , Johansson Jan , Ygge Jan , Borg Kristian 
Published: November 2020

AbstractBackgroundAcquired brain injury affects many brain areas and causes a range of dysfunctions including vision‐related issues. These issues can have negative impacts on rehabilitation progress and activities of daily life but may easily be overlooked. There is no common recommendation about how to assess visual impairments after ABI. The purpose of this study was to estimate the frequency of objectively measures oculomotor dysfunctions, and also how these findings are related to two inventories intended to support detection of visual impairment.MethodsThe study was cross‐sectional and included 73 outpatients. In addition to the standard evaluation program, the patients went through a comprehensive optometric examination. The inventories used were the Vision Interview (VI) and the Convergence Insufficiency Symptom Survey (CISS).ResultsAll three types of examinations showed a high proportion vision‐related symptoms. Fusion vergence was the most common objectively measured finding, 83%. There were seven statistically significant associations between five VI items and five visual deficits. The strength of associations was moderate (Phi 0.261–0.487, p < .05). The sensitivity and specificity of the CISS were moderate.ConclusionWe found high percentages of the patients with visual symptoms and dysfunctions. Due to the complexity of visual symptoms and functional deficits in ABI, we find it necessary to combine both symptom assessment and vision examination in order to capture visual function issues.
Catheter directed embolectomy of right atrial clot in transit‐A case series
Authors: Verma Isha , Chang Eric Y , Kumar Gautam , Sachdeva Rajesh 
Published: November 2020

AbstractIn the previous literature, the prevalence of right atrial (RA) clot‐in‐transit associated with pulmonary embolism is around 4–18% with an associated mortality of 80–100% in untreated cases. Surgical thrombo‐embolectomy has been the mainstay of treatment for stable patients but the data for percutaneous thrombo‐embolectomy is lacking in the literature. We present a series of three cases of right atrium clot‐in‐transit treated with catheter‐based therapies with Inari FlowTriever® (Inari Medical, Irvine, CA). Our three patients had different clinical profiles and presentations of right atrial clot‐in‐transit. All of the subjects had contraindications to surgical thrombo‐embolectomy and thrombolytic therapy. Catheter based embolectomy using Inari FlowTriever® was successfully performed in all the patients. As the data on this intervention is sparse, our case series highlights successful catheter based thrombo‐embolectomies in high‐risk individuals with right atrial clot in‐transit with or without pulmonary embolism.
Stable N,N’‐Diarylated Dihydrodiazaacene Radical Cations
Authors: Xie Gaozhan , Bojanowski N. Maximilian , Brosius Victor , Wiesner Thomas , Rominger Frank , Freudenberg Jan , Bunz Uwe H. F. 
Published: November 2020

AbstractThree stable N,N’‐diarylated dihydroazaacene radical cations were prepared by oxidation of neutral N,N’‐diarylated dihydroazaacenes synthesized via palladium‐catalyzed Buchwald‐Hartwig aminations of aryl iodides with N,N’‐dihydroazaacenes. Both neutral as well as oxidized species were investigated via UV‐vis spectroscopy, single crystal analysis, and DFT calculations. All the radical cations are surprisingly stable—their absorption spectra in dichloromethane remain unchanged in ambient conditions for at least 24 hours.
Dynamic Ion Speciation during the Hydrolysis of Aryltrifluoroborates**
Authors: Omari Isaac , Yunker Lars P. E. , Penafiel Johanne , Gitaari Darlene , San Roman Atzin , McIndoe J. Scott 
Published: November 2020

AbstractOrganotrifluoroborates serve as coupling partners during transmetalation in the Suzuki–Miyaura reaction but require hydrolysis prior to the coupling reaction. Their anionic nature allows study of their hydrolysis by electrospray ionization mass spectrometry (ESI‐MS) through real‐time monitoring, complemented by pH analysis. The induction period varied according to the borates employed, and a dynamic series of equilibria for numerous ions was observed during hydrolysis. We found that the induction periods and reaction rates were sensitive to the R group of the borates, the shape of the reaction vessel, and stir rate.
Phosphorus Ligands from the Zhang Lab: Design, Asymmetric Hydrogenation, and Industrial Applications
Authors: Wan Feng , Tang Wenjun 
Published: November 2020

AbstractChiral phosphorus ligands have played a crucial role for the recent advances in asymmetric catalysis. This review summarizes chiral phosphorus ligands developed from the Laboratory of Professor Xumu Zhang in the latest 25 years. A number of iconic phosphorus ligands including bisphosphorus ligands with rigid chiral backbone such as BICP, PennPhos, TunePhos, and f‐Binaphane, P‐chiral bisphosphorus ligands TangPhos, Binapine, and DuanPhos, phosphine‐phosphoramidte ligand YanPhos, noncovalent interaction‐assisted ferrocenyl phosphorus ligand ZhaoPhos and WudaPhos, and tridentate ferrocenyl phosphorus ligands f‐amphox are introduced, and their applications in asymmetric hydrogenation are emphasized.
Laminar distribution of cortical projection neurons to the pulvinar: A comparative study in cats and mice
Authors: de Souza Bruno Oliveira Ferreira , Frigon Éve‐Marie , Tremblay‐Laliberté Robert , Casanova Christian , Boire Denis 
Published: November 2020

AbstractThe cortical processing of visual information is thought to follow a hierarchical framework. This framework of connections between visual areas is based on the laminar patterns of direct feedforward and feedback cortico‐cortical projections. However, this view ignores the cortico‐thalamo‐cortical projections to the pulvinar nucleus in the thalamus, which provides an alternative transthalamic information transfer between cortical areas. It was proposed that corticothalamic (CT) pathways follow a similar hierarchical pattern as cortico‐cortical connections. Two main types of CT projections have been recognized: drivers and modulators. Drivers originate mainly in Layer 5 whereas modulators are from Layer 6. Little is known about the laminar distribution of these projections to the pulvinar across visual cortical areas. Here, we analyzed the distribution of CT neurons projecting to the lateral posterior (LP) thalamus in two species: cats and mice. Injections of the retrograde tracer fragment B of cholera toxin (CTb) were performed in the LP. The morphology and cortical laminar distribution of CTb‐labeled neurons was assessed. In cats, neurons were mostly found in Layer 6 except in Area 17, where they were mostly in Layer 5. In contrast, CT neurons in mice were mostly located in Layer 6 across all areas. Thus, our results demonstrate that CT projections in mice do not follow the same organization as cats suggesting that the transthalamic pathways play distinct roles in these species.
Multi‐resource allocation in cloud data centers: A trade‐off on fairness and efficiency
Authors: Jiang Suhan , Wu Jie 
Published: November 2020

SummaryFair allocation has been studied intensively in both economics and computer science. Many existing mechanisms that consider fairness of resource allocation focus on a single resource. With the advance of cloud computing that centralizes multiple types of resources under one shared platform, multi‐resource allocation has come into the spotlight. In fact, fair/efficient multi‐resource allocation has become a fundamental problem in any shared computer system. The widely used solution is to partition resources into bundles that contain fixed amounts of different resources, so that multiple resources are abstracted as a single resource. However, this abstraction cannot satisfy different demands from heterogeneous users, especially on ensuring fairness among users competing for resources with different capacity limits. A promising approach to this problem is dominant resource fairness (DRF), which tries to equalize each user's dominant share (share of a user's most highly demanded resource, that is, the largest fraction of any resource that the user has required for a task), but this method may still suffer from significant loss of efficiency (i.e., some resources are underused). This article develops a new allocation mechanism based on DRF aiming to balance fairness and efficiency. We consider fairness not only in terms of a user's dominant resource, but also in another resource dimension which is secondarily desired by this user. We call this allocation mechanism 2‐dominant resource fairness (2‐DF). Then, we design a non‐trivial on‐line algorithm to find a 2‐DF allocation and extend this concept to k‐dominant resource fairness (k‐DF).
Covalent Cross‐Linking of Metal‐Organic Cages: Formation of an Amorphous Cationic Porous Extended Framework for the Uptake of Oxo‐Anions from Water
Authors: Deng Shu‐Qi , Li Dian‐Mei , Mo Xiao‐Jing , Miao Yi‐Ling , Cai Song‐Liang , Fan Jun , Zhang Wei‐Guang , Zheng Sheng‐Run 
Published: November 2020

AbstractCationic amorphous metal‐organic cage (MOC)‐based materials capable of removing anionic pollutants from water are receiving increasing attention but they are still relatively less reported. Herein, for the first time, a cationic porous MOC‐based extended framework, namely, CL‐aMOC‐1, was constructed by covalent linking of a cationic Pd12L24 (L=3,5‐di‐pyridin‐4‐yl‐benzaldehyde) cage with a 1,4‐bis(4‐aminophenyl)benzene (BAPB) linker. Interestingly, the reaction could be completed within 15 min using an amorphous MOC‐based solid (aMOC‐1) and BAPB as reactant via a low‐temperature solid‐state reaction. The CL‐aMOC‐1 showed improved stability, lower solubility and higher oxo‐anion uptake in water compared with the original aMOC‐1. The adsorption capacities for CrO42−, Cr2O72− and ReO4− on CL‐aMOC‐1 were 245.1, 311.5 and 452.5 mg/g, respectively, in which the uptake of Cr(VI)‐containing oxo‐anions was among the highest compared with those of other metal‐organic materials. The CL‐aMOC‐1 can selectively capture oxo‐anions in the presence of competitive anions. It exhibits good reusability as over 85 % of the uptake capacity is retained after 5 cycles. Finally, it shows the ability to remove Cr(VI) ions from electroplating wastewater.
A review of current modalities to treat cellulite effectively
Authors: Ferzli Georgina , Sadick Neil 
Published: November 2020

AbstractEdematous fibrosclerotic panniculopathy, better known as cellulite, is a skin condition that affects 80%–98% of postpubertal women. Cellulite is believed to be a result of the effects of estrogen on the dermal and subcutaneous fat, including but not limited to fibroblast proliferation, lipogenesis, adipocyte hypertrophy, and collagen formation. These findings are most commonly located in the buttocks, thighs, and abdomen. Not surprisingly, many women seek out treatment to minimize the appearance of cellulite. With a growing understanding of cellulite, there has also been substantial growth in the treatment options available to target the problem. Topical agents, energy‐based devices, injectable treatments, and surgical treatments have all been used to treat cellulite, with significant studies performed to ensure the safety and efficacy of each. In this article, we will discuss these available treatments for cellulite.
Lack of definition of mathematical terms in ecology: The case of the sigmoid class of functions in macro‐ecology
Authors: Godeau Ugoline , Bouget Christophe , Piffady Jérémy , Pozzi Tiffani , Gosselin Frédéric 
Published: November 2020

AbstractDefining mathematical terms and objects is a constant issue in ecology; often definitions are absent, erroneous, or imprecise. Through a bibliographic prospection, we show that this problem appears in macro‐ecology (biogeography and community ecology) where the lack of definition for the sigmoid class of functions results in difficulties of interpretation and communication. In order to solve this problem and to help harmonize papers that use sigmoid functions in ecology, herein we propose a comprehensive definition of these mathematical objects. In addition, to facilitate their use, we classified the functions often used in the ecological literature, specifying the constraints on the parameters for the function to be defined and the curve shape to be sigmoidal. Finally, we interpreted the different properties of the functions induced by the definition through ecological hypotheses in order to support and explain the interest of such functions in ecology and more precisely in biogeography.
Mutational spectra induced by flavonoid extracts from pepper tree (Schinus terebinthifolius, Raddi) stem bark
Authors: Varela‐Barca Francisco Napoleão Tulio , Felipe Maria Beatriz Mesquita Cansanção , de Medeiros Sílvia Regina Batistuzzo 
Published: November 2020

AbstractFlavonoids are a diverse family of plant compounds that are involved in pigmentation, protection, and endogenous regulation. Flavonoids also have medicinal applications, suggesting that they may exert chemoprotective effects. However, some studies have shown, that some plant flavonoids have oxidative and toxic effects, including those produced by Schinus terebinthifolius. In Brazil, extracts of this plant are widely used for medical purposes. In this study, we analyzed the mutagenic potential of two flavonoid‐enriched fractions from Brazilian pepper tree stem bark using Escherichia coli CC strains deficient and proficient in enzymes involved in the DNA repair of oxidative lesions. The highest mutagenic response was detected in the CC104mutMmutY strain but CC104mutY showed a higher mutation frequency than CC104mutM. The spectrum of mutations induced in plasmid DNA is composed of mutations typically caused by oxidative lesions. However, a new type of lesion must be occurred to explain the cytotoxicity, higher mutation rates in the CC104mutY strain, and the rare A:T → T:A and G:C → C:G transversions found in this work.
A nonlinear and time‐dependent visco‐elasto‐plastic rheology model for studying shock‐physics phenomena
Authors: Elbeshausen Dirk , Melosh Henry J. 
Published: November 2020

AbstractWe present a simple and efficient implementation of a viscous creep rheology based on diffusion creep, dislocation creep, and the Peierls mechanism in conjunction with an elasto‐plastic rheology model into a shock‐physics code, the iSALE impact code. Our approach is based on the calculation of an “effective viscosity” which is then used as a reference viscosity for any underlying viscoelastic (or even visco‐elasto‐plastic) model. Here we use a Maxwell‐model which best describes stress relaxation and is therefore likely most important for the formation of large meteorite impact basins. While common viscoelastic behavior during mantle convection or other slow geodynamic or geological processes is mostly controlled by diffusion and dislocation creep, we show that the Peierls mechanism dominates at the large strain rates that typically occur during meteorite impacts. Thus, the resulting visco‐elasto‐plastic rheology allows implementation of a more realistic mantle behavior in computer simulations, especially for those dealing with large meteorite impacts. The approach shown here opens the way to more faithful simulations of large impact basin formation, especially in elucidating the physics behind the formation of the external fault rings characteristic of large lunar basins.
Quality of life among caregivers of children with epilepsy: A cross‐sectional study at Eastern Nepal
Authors: Pokharel Rita , Poudel Prakash , Lama Sami 
Published: November 2020

AbstractObjectiveTo assess the quality of life among caregivers of children with epilepsy in a tertiary care center of eastern Nepal.MethodsA cross‐sectional study was conducted among primary caregivers of children with epilepsy, who accompanied their child in child neurology clinic. Consecutive sampling was done, and 106 respondents were interviewed. Data were collected using World Health Organization Quality of Life‐BREF (WHOQOL‐BREF) scale and analyzed using Statistical Package for the Social Sciences. Descriptive and Inferential statistics were applied.ResultsMean WHOQOL‐BREF score was 82.25 {standard deviation (SD) ±12. 11}. Transformed scores (0‐100) for each domain were 57.98 ± 14.55 in physical, 55.87 ± 13.16 in psychological, 53.12 ± 13.42 in social, and 52.52 ± 13.04 in environmental domain. Mean score for overall perception of quality of life (QOL) was 2.71 ± 0.79 and was 3.12 ± 0.75 for overall perception of health. Living below poverty line (P = .03) and poor seizure control status of children (P = .46) were significantly associated with lower total QOL score. Living below poverty line was significantly associated with low social relationship (P = .003) and environment domain (<0.001) scores.SignificanceEpilepsy has a multifaceted impact on the lives of affected people. Caring children with epilepsy is associated with enormous psychosocial effects on parents and family members. Caregivers' QOL may affect the treatment and outcome of epilepsy in children. Given the consideration to scarcity of this kind of literature in Nepalese context, this study was conducted.