bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular dynamics simulations reveal the disruption mechanism of a 2,4‐thiazolidinedione derivative C30 against tau hexapeptide (PHF6) oligomer
Authors: Liu Hongli , Zhong Haiyang , Liu Huanxiang , Yao Xiaojun 
Published: July 2021

AbstractDerivatives of 2,4‐thiazolidinedione have been reported to inhibit the aggregation of tau protein, in which compound 30 (C30) not only inhibit 80% of paired helical filament 6 (PHF6) aggregation, but also inhibit K18 and full‐length tau aggregation. However, its inhibitory mechanism is unclear. In this study, to investigate the effect of C30 on tau protein, all‐atom molecular dynamics simulation was performed on the PHF6 oligomer with and without C30. The results show that C30 can cause significant conformational changes in the PHF6 oligomer. The nematic order parameter P2 and secondary structure analyses show that C30 destroys the ordered structure of PHF6 oligomer, reduces the content of β‐sheet structure, and transforms β‐sheet into random coil structure. By clustering analysis, it was found that C30 has four possible binding sites on the PFH6 oligomer, and the binding ability order is S1 > S2 > S4 > S3. Following a more in‐depth analyses of each site, it was determined that the S1 site is the most possible binding site mainly located between layers of L1 and L3. The hydrophobic interaction is the driving force for the binding of C30 to PHF6 oligomer. In addition, L1P4_Y310, L1P5_Y310, L3P1_V309, and L3P2_V309 are key residues for C30 binding to oligomer. Moreover, π‐π interaction formed by L1P4_Y310 and L1P5_Y310 with C30 and the hydrogen bonding interaction formed by C30 with L3P3_Q307 are beneficial to the combination of C30 and oligomer. The fully understanding disrupt the mechanism of 2,4‐thiazolidinedione derivative on PHF6 oligomer and the identification of binding sites will help design and discover new AD inhibitors in the future.
Effects of sevoflurane and adenosine receptor antagonist on the sugammadex‐induced recovery from rocuronium‐induced neuromuscular blockade in rodent phrenic nerve–hemidiaphragm tissue specimens
Authors: Kim Yong Beom , Choi Jae‐Moon , Park Chungon , Choi Hey‐Ran , In Junyong , Yang Hong‐Seuk 
Published: August 2021

AbstractSevoflurane affects on the A1 receptor in the central nervous system and potentiates the action of neuromuscular blocking agents. In the present study, we investigated whether sevoflurane (SEVO) has the ability to potentiate the neuromuscular blocking effect of rocuronium and if the specific antagonist of adenosine receptor (SLV320) can reverse this effect. In this study, phrenic nerve–hemidiaphragm tissue specimens were obtained from 40 Sprague–Dawley (SD) rats. The specimens were immersed in an organ bath filled with Krebs buffer and stimulated by a train‐of‐four (TOF) pattern using indirect supramaximal stimulation at 20 s intervals. The specimens were randomly allocated to control, 2‐chloroadenosine (CADO), SEVO, or SLV320 + SEVO groups. In the CADO and SLV320 + SEVO groups, CADO and SLV320 were added to the organ bath from the start to a concentration of 10 μM and 10 nM, respectively. We then proceeded with rocuronium‐induced blockade of >95% depression of the first twitch tension of TOF (T1) and TOF ratio (TOFR). In the SEVO and SLV320 + SEVO groups, SEVO was added to the Krebs buffer solution to concentration of 400–500 μM for 10 min. Sugammadex‐induced T1 and TOFR recovery was monitored for 30 min until >95% of T1 and >0.9 of TOFR were confirmed, and the recovery pattern was compared by plotting these data. T1 recovery in the SEVO and CADO groups was significantly delayed compared with the control and SLV320 + SEVO groups (p < .05). In conclusion, sevoflurane affects on the A1 receptor at the neuromuscular junction and delays sugammadex‐induced recovery from neuromuscular blockade.
Parameter‐dependent observer‐based feedback compensator design of a space‐time‐varying PDE with application to a class of steelmaking processes
Authors: Wang Jun‐Wei , Yang Yang 
Published: August 2021

AbstractThis article deals with the problem of observer‐based feedback compensator design for a linear reaction–advection–diffusion equation subject to a time‐varying diffusion coefficient, a time‐varying advection coefficient, and a space‐time‐varying reaction coefficient. To solve such a problem, these coefficients are written in parametric forms under their boundedness assumptions. By considering these parametric forms of the coefficients and the distribution functions for control actuation and non‐collocated measurement, a parameter‐dependent observer‐based feedback compensator is constructed such that the resulting closed‐loop coupled equation exponentially converges to a bounded set of the equilibrium profile in the spatial norm. With the aid of the Lyapunov technique and variants of Poincaré–Wirtinger's inequality, a sufficient condition for the existence of such feedback compensator is presented in the form of convex constraints. Finally, extensive simulation results for a numerical example and a class of steelmaking processes are presented to support the proposed design method. For the collocated measurement case, both theoretical and simulation results show that the proposed observer‐based feedback compensator can provide a better control performance than the static feedback compensator in the presence of measurement disturbances.
Determinants of Black families’ access to a community‐based STEM program: A latent class analysis
Authors: King Natalie S. , Collier Zachary , Johnson Bridgette G. , Acosta Melanie , Southwell Charisse N. 
Published: July 2021

AbstractThe purpose of this study was to uncover determinants of Black families’ access to STEM enrichment, specifically focusing on I AM STEM—a community‐based program. Our research examined the association between class membership and how families learned about I AM STEM, to provide a more nuanced understanding about how family dynamics influence Black parents’ access to educational enrichment programs for their children. This study draws from Bronfenbrenner's (1979) ecological systems theory (EST) and Coleman's (1988) definition of social capital to explore the ways in which Black families across socioeconomic backgrounds access and use the community‐based STEM program. A latent class analysis was employed to identify determinants based on specific predictors (e.g., parents’ highest level of education, free/reduced lunch status, and grade level of registered children). The latent class model extracted three distinct classes. Our findings revealed that all parents were likely to enroll their elementary‐aged children, but the likelihood of enrolling middle or high school children increased with parents who were college educated. This study also uncovered that regardless of income or neighborhood lines, Black parents of all social classes, and family dynamics learned about the program through information sharing. Furthermore, the program's location increased access to informal STEM learning opportunities for parents who experienced poverty, while the program's curriculum attracted middle‐class Black families who were not residents of that particular community. Collectively, I AM STEM promoted educational and economic inclusion, which broadened participation in STEM programming.
Transition‐Metal Complexes of Bidentate Schiff‐Base Ligands: In Vitro and In Silico Evaluation as Non‐Classical Carbonic Anhydrase and Potential Acetylcholinesterase Inhibitors
Authors: Yaşar Ümit , Gönül İlyas , Türkeş Cüneyt , Demir Yeliz , Beydemir Şükrü 
Published: August 2021

AbstractSchiff bases display superior features for many areas, such as significant intermediates in industrial biological, pharmacological, catalytic and optical properties, organic synthesis, and coordination chemistry. The pre‐synthesized two Schiff base ligands (HL1andHL2) and their bidentate metal complexes (Co(L1)2,Cu(L1)2,Ni(L1)2,Co(L2)2,Cu(L2)2, andNi(L2)2) were tested for their inhibition activities on acetylcholinesterase (AChE) and human carbonic anhydrase (hCA I andhCA II) isoforms. The transition metal complexes of bidentate Schiff base ligands displayed the potent inhibition effect withKIconstants ranging from 16.39±0.15 to 88.63±0.27 nM and 9.32±0.13 to 33.66±0.57 nM forhCA isoenzymes and AChE, respectively. The compoundCu(L1)2forhCA I andNi(L2)2for AChE andhCA II had the highest inhibitory effect. Besides, the molecular docking analyses of the most active complexes (Cu(L1)2andNi(L2)2) were performed to understand the binding interactions on the enzymes’ binding sites. According to both in vitro and in silico analysis results, all the compounds were potential inhibitors of AChE andhCA I, II isoenzymes.
Green Carbon Dots (GCDs) for Photocatalytic Hydrogen Evolution and Antibacterial Applications
Authors: Genc Munevver Tuna , Yanalak Gizem , Aksoy Ilknur , Aslan Emre , Patır Imren Hatay 
Published: August 2021

AbstractMicrowave technique was used to synthesize Green Carbon Dots (GCDs) from Aloe vera leaves because of easy to apply, accessible, time‐saving, cheap, safe and environmental‐friendly way. The prepared GCDs/TiO2 composite was obtained via sensitization of TiO2 with the help of GCDs. The characterization of the GCDs/TiO2 was made optically, structurally and morphologically. The photocatalytic hydrogen activity of GCDs/TiO2 was investigated under visible light (λ>420 nm) irradiation in the aqueous solution using triethanolamine (TEOA) sacrificial electron donor. When Pt was used, GCDs/TiO2/Pt showed advanced hydrogen evolution production (1294 μmol g−1 h−1) approximately two‐fold compared to GCDs/TiO2 (718 μmol g−1 h−1). In addition, NIR light‐triggered antibacterial activity of GCDs on Gram‐negative Escherichia coli (E. coli) and Gram‐positive Staphylococcus aureus (S. aureus) were investigated by studying bacterial growth curve and abiotic GSH oxidation assay. GSH oxidation ability of GCDs was increased through NIR light irradiation. According to the bacterial growth curve test, E. coli was found to be more susceptible to our GCDs than S. aureus.
Polymer‐Based Anti‐Solvent Engineering to Fabricate Stable and Efficient Triple‐Cation Perovskite Solar Cells
Authors: Naji Amel Muhson , Nief Olfat A. , Kareem Sahira Hassan , Mohammed Mustafa K. A. 
Published: August 2021

AbstractPerovskite materials, due to their excellent photovoltaic features, have aroused the researchers′ admiration as a photon‐absorption film for the next‐generation photovoltaics. The interface tailoring of perovskites and hole‐transport layer (HTL) is one of the critical approaches to achieve effective and stabilized perovskite solar cell (PSC). Hence, poly[4,8‐bis[(2‐ethylhexyl)oxy]benzo[1,2‐b:4,5‐b′]dithiophene‐2,6‐diyl][3‐fluoro‐2‐[(2 ethylhexyl)carbonyl]thieno[3,4‐b]‐thiophenediyl] (PTB7) as a polymeric organic semiconductors was employed for doping of anti‐solvent solution to modify the perovskite film. Results showed with PTB7 dopant; grain boundaries (GBs) of the perovskites are reduced. It suppressed carriers′ trap centers in the perovskite film and decreased recombination processes within perovskite layers. Besides, the high intrinsic conductivity of PTB7 material assisted charge injection at the perovskites/HTL interfaces and hindered carrier's accumulation. The device with PTB7 showed a more matched energy level and a higher prevention for recombination than the device without PTB7 dopant, which are reasons for the considerable boost in the open‐circuit voltage (VOC) and fill‐factor (FF), giving rise a power conversion efficiency (PCE) of 19.18 % for the champion performing PVs. Most important, the hydrophobic origin of PTB7 leads to superb humidity stability in the device with PTB7 dopant with 85 % of the original performance remaining after more than 800 h storing in air with ∼40 % RH.
Carbon Quantum Dots Based on Carbohydrates as Nano Sensors for Food Quality and Safety
Authors: Arias Velasco Valentina , Caicedo Chacón Wilson D. , Carvajal Soto Angélica M. , Ayala Valencia Germán , Granada Echeverri Juan C. , Agudelo Henao Ana C. 
Published: August 2021

AbstractCarbon quantum dots (CQDs) are a special type of nanostructure characterized for their low toxicity, environmentally friendliness, and ease of manufacture from varied carbon sources like carbohydrates. This carbon source is abundant in natural products and organic wastes, and it is suitable to be used in food applications like nano sensors for food quality and safety. Indeed, CQDs are foreseen as a potential new type of practical and unexpensive sensor to detect harmful substances commonly found in food. Limits of detection (LOD) of CQDs nano sensors have reached concentration level standards established by European Food Safety Authority for additives and heavy metals; nevertheless, for pathogens, safe limits of LOD are still not achieved. This study aims to carry out a review of CQDs obtained from carbohydrates of natural products and organic wastes as well as to describe their performance as sensors of additives, pathogens, and heavy metals in food quality and safety.
Modifying effects of menthol against benzo(a)pyrene‐induced forestomach carcinogenesis in female Swiss mice
Authors: Santo Sara Gomes Espírito , Romualdo Guilherme Ribeiro , Santos Leandro Alves dos , Grassi Tony Fernando , Barbisan Luís Fernando 
Published: July 2021

AbstractBenzo(a)pyrene (BaP) is a polycyclic aromatic hydrocarbon widespread in the environment and closely associated to tobacco use, which is an important risk factor for highly incident stomach cancer. Menthol, a monoterpene extracted from Mentha genus species, has multiple biological properties, including anti‐inflammatory and gastroprotective properties, but its effects on carcinogenesis are still to be fully understood. Thus, we evaluated the modifying effects of Ment against BaP‐induced forestomach carcinogenesis. Female Swiss mice received BaP by intragastrical (i.g.) administration (50 mg/kg of body weight [b wt], 2×/week), from weeks 1–5 weeks. Concomitantly, mice received Menthol at 25 (Ment25) or 50 (Ment50) mg/kg b wt (i.g, 3×/week). Animals were euthanized at weeks 5 (n = 5 mice/group) or 30 (n = 10 mice/group). At week 5, both Ment doses reduced peripheral leukocyte blood genotoxicity 4 h after the last BaP administration, but only Ment50 attenuated this biomarker 8 h after the last BaP administration. In accordance to these findings, both Ment interventions attenuated BaP‐induced increase in the percentage of H2A.X‐positive forestomach epithelial cells. Moreover, Ment50 reduced cell proliferation and apoptosis (i.e., Ki‐67 and caspase‐3, respectively) in forestomach epithelium but exerted no significant effects on NFκB, and Nrf2 protein levels. At week 30, Ment50 reduced by ~55% the incidence of BaP‐induced forestomach diffuse hyperplasia and multiplicity of forestomach tumors (squamous cell papillomas and carcinomas). Our findings indicate that Ment50, administered during initiation phase, attenuates forestomach carcinogenesis by reducing early genotoxicity, cell proliferation, and apoptosis induced by BaP.
COD fractionation and solubility assessment of sonicated waste‐activated sludge
Authors: Al‐Hoqani Manal , Zafar Mohd. , Al Musharafi Salma K. , Mahanty Biswanath , Behera Shishir Kumar 
Published: July 2021

AbstractUltrasonic treatment is adopted as one of the important strategies to accelerate the hydrolysis of waste‐activated sludge (WAS). This study intends to optimize amplitude and time for ultrasonic treatment of WAS using statistically designed experiments that would render a better degree of disintegration, measured in terms of chemical oxygen demand (COD) solubilization. The main and interaction effects of nonlinear regression analysis revealed a significant interaction between amplitude and time over the degree of sludge disintegration. The ultrasonic density of 0.45 W/mL for 30 min favored a 153.84% increase in COD solubilization with a 27.65% degree of sludge disintegration. This condition also favored the minimum specific energy input of 801.58 kJ/g total suspended solids compared to other sonication conditions. Besides, the sludge volume index was reduced by 45% and 26% at the ultrasonic density of 0.45 W/mL for 60 and 30 min, respectively. Microscopic examination of WAS revealed disintegration of bacterial flocs during the ultrasonication process releasing filamentous bacteria with smaller floc sizes. The results from this study indicate that higher ultrasonic density for short time could improve the sludge disintegration with minimum specific energy input.
Simultaneous removal of Cd (II), Ni (II), and Pb (II) from water by a submerged macrophyte pondweed (Potamogeton malaianus)
Authors: Lyu Rongtao , Gu Bowen , Zhang Ting , Yang Zhaoguang 
Published: July 2021

AbstractThe current work investigated the potential of submerged macrophyte pondweed (Potamogeton malaianus) in treating cadmium, nickel, and lead‐contaminated water through phytoremediation. The adsorption for the three metal ions occurred rapidly within 2 h and attained dynamic equilibrium in no more than 72 h. The removal efficiencies of Cd (II), Ni (II), and Pb (II) were high, passing 94% in both single‐ and multi‐metal systems. The kinetic adsorption curves of Cd (II), Ni (II), and Pb (II) were fitted well by both pseudo‐first‐order and pseudo‐second‐order kinetics (R2 = 0.9875–0.9995). The equilibrium adsorption capacities of Cd (II), Ni (II), and Pb (II) for P. malaianus were 6.29–6.97 mg kg−1. In plants, the higher concentration of each metal ions was accumulated in leaves (12.44–38.15 mg kg−1) than in roots (10.32–26.10 mg kg−1). The chlorophyll contents increased from 0.69 to 0.89–1.00 mg g−1 under the treatment of Cd (II), Ni (II), and Pb (II), whereas the chlorophyll a/b ratio was kept constant. There was no significant difference between single‐ and multi‐metal systems. FT‐IR spectra showed that COH and C═N might be involved in the adsorption of Cd (II), Ni (II), and Pb (II). This study demonstrated that P. malaianus could be a suitable submerged macrophyte for the simultaneous removal of Cd (II), Ni (II), and Pb (II) from water.
Established Urban Research Traditions and the Platform for Space Syntax
Authors: van Nes Akkelies , Yamu Claudia 
Published: July 2021

AbstractThis chapter provides an overview of established researchtraditions in the analysis of physical elements of the built environment. Herein, we address the morphological, place phenomenological, andurban network traditions. Following this, a synopsis about spatial elements applied to these traditions, including space syntax, is given. Furthermore, in this chapter, we explain the differences between extrinsic and intrinsic properties of space and clarify the typology concepts of the built form. Finally, we introduce the basic spatial elements used in space syntax and the simplest spatialstructures that cities can have. Exercises are provided at the end of this chapter.
Empirical Data Collection and Analysis, and Connecting Data with Space Syntax
Authors: van Nes Akkelies , Yamu Claudia 
Published: July 2021

AbstractInprevious chapters, we demonstrated various analytic techniques focusing on the spatial aspects of the built environment. In this chapter, we discuss various methods and techniques for collecting qualitative andquantitative data dealing with human behaviour and how to connect such data to the results from various space syntax analyses. This chapter provides a brief introduction to these methods to stimulate ideas for connecting an array of spatial and socio-economicdata to space syntax. At the end of this chapter, we provide an exercise, references, and further readings.
Theoretical Representations of the Built Environment
Authors: van Nes Akkelies , Yamu Claudia 
Published: July 2021

AbstractIn this chapter, we show what and how space syntax has contributed to theoriesand general knowledge of the built environment. First, we provide an introduction to two established researchtraditions, positivismand hermeneutics. The aim is to demonstrate through modal logic what the possibilities and limitations are for gaining general understandings and making theoretical explanations from space syntax research. Modal logic uses expressions to test the explanatory power of statements. Second, we show what space syntax adds to the debate about spatialintegrationand spatial segregation as seen in relation to market and socialrationality. We will focus on the spatial aspects and discuss these in relation to declining versus vital neighbourhoods, crime, anti-socialbehaviour, cultures, political ideologies, gender, and the use of space. Third, we give some reflections on what space syntax has contributed in regards to a comprehensive architecture theory. Finally, at the end, we add as an epilogue a thought experiment on how space syntax theories can be applied within the compact city debate. Exercises are provided at the end of this chapter.
Gravitational perturbations from NHEK to Kerr
Authors: Castro Alejandra , Godet Victor , Simón Joan , Song Wei , Yu Boyang 
Published: July 2021

Abstract
We revisit the spectrum of linear axisymmetric gravitational perturbations of the (near-)extreme Kerr black hole. Our aim is to characterise those perturbations that are responsible for the deviations away from extremality, and to contrast them with the linearized perturbations treated in the Newman-Penrose formalism. For the near horizon region of the (near-)extreme Kerr solution, i.e. the (near-)NHEK background, we provide a complete characterisation of axisymmetric modes. This involves an infinite tower of propagating modes together with the much subtler low-lying mode sectors that contain the deformations driving the black hole away from extremality. Our analysis includes their effects on the line element, their contributions to Iyer-Wald charges around the NHEK geometry, and how to reconstitute them as gravitational perturbations on Kerr. We present in detail how regularity conditions along the angular variables modify the dynamical properties of the low-lying sector, and in particular their role in the new developments of nearly-AdS2 holography.
Chiral composite asymmetric dark matter
Authors: Ibe Masahiro , Kobayashi Shin , Watanabe Keiichi 
Published: July 2021

AbstractThe asymmetric dark matter (ADM) scenario solves the baryon-dark matter coincidence problem when the dark matter (DM) mass is of$$ \mathcal{O}(1) $$O1GeV. Composite ADM models based on QCD-like strong dynamics are particularly motivated since the strong dynamics naturally provides the DM mass of$$ \mathcal{O}(1) $$O1GeV and the large annihilation cross-section simultaneously. In those models, the sub-GeV dark photon often plays an essential role in transferring the excessive entropy in the dark sector into the visible sector, i.e., the Standard Model sector. This paper constructs a chiral composite ADM model where the U(1)Dgauge symmetry is embedded into the chiral flavor symmetry. Due to the dynamical breaking of the chiral flavor symmetry, the model naturally provides the masses of the dark photon and the dark pions in the sub-GeV range, both of which play crucial roles for a successful ADM model.
Diluted mass gap in strongly coupled non-local Yang-Mills
Authors: Frasca Marco , Ghoshal Anish 
Published: July 2021

Abstract
We investigate the non-perturbative regimes in the class of non-Abelian theories that have been proposed as an ultraviolet completion of 4-D Quantum Field Theory (QFT) generalizing the kinetic energy operators to an infinite series of higher-order derivatives inspired by string field theory. We prove that, at the non-perturbative level, the physical spectrum of the theory is actually corrected by the “infinite number of derivatives” present in the action. We derive a set of Dyson-Schwinger equations in differential form, for correlation functions till two-points, the solution for which are known in the local theory. We obtain that just like in the local theory, the non-local counterpart displays a mass gap, depending also on the mass scale of non-locality, and show that it is damped in the deep UV asymptotically. We point out some possible implications of our result in particle physics and cosmology and discuss aspects of non-local QCD-like scenarios.