bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deciphering the Molecular Mechanism of Inhibition of β‐Secretase (BACE1) Activity by a 2‐Amino‐imidazol‐4‐one Derivative
Authors: Kaur Gurmeet , Goyal Bhupesh 
Published: October 2022

AbstractThe β‐site amyloid precursor protein‐cleaving enzyme 1 (β‐secretase, BACE1) is a prominent drug target amongst all other targets of Alzheimer's disease (AD) as it is involved in the rate‐determining step of amyloid‐β (Aβ) production. Fan et al. identified 2‐amino‐imidazol‐4‐one derivative L5 as a potent inhibitor of BACE1 (IC50=0.12 μM, logP=2.49). However, it remains unclear how L5 inhibits the BACE1 activity. In this work, atomistic molecular dynamics (MD) simulations have been carried out to explore the interaction mechanism of L5 with BACE1. The molecular docking analysis highlighted strong binding (−9.1 kcal/mol) of L5 with the active site residues of BACE1. MD simulations revealed hydrogen bonds and hydrophobic contacts of L5 with the BACE1 active pocket residues control the dynamics of the flap and assist to attain the closed (non‐active) conformation. The binding free energy analysis depicted strong interaction of L5 with BACE1 (▵Gbinding=−34.6±3.6 kcal/mol) and highlighted the significant contribution of the active pockets, aspartic dyad, and flap residues of BACE1 in the binding with L5. The free energy landscape (FEL) analysis highlighted a close flap conformation in the lowest energy conformation of BACE1‐L5 complex as compared to open flap (active) conformation in apo‐BACE1. The study reveals the interaction mechanism of L5 with BACE1, which will be helpful for the structure‐based design of potent inhibitors against BACE1.
Mn‐Modified Graphitic Carbon Nitride‐Supported Bimetallic PtNi Nanoparticles for Hydrogen Generation from Hydrous Hydrazine
Authors: Zheng Junning , Liang Yu , Li Gui , Jin Biyu , Wan Chao , Ye Mingfu , Xu Lixin 
Published: October 2022

AbstractMn‐modification, as a method of material element modification, has a vital efficacy on the structure of materials, providing abundant active sites for the loading of metal nanoparticles. Herein, highly dispersed PtNi nanoparticles deposited on Mn‐modified graphitic carbon nitride (g‐C3N4) was synergistically constructed by a facile and valid impregnation reduction method. Interestingly, among all the tested samples, the obtained Pt0.6Ni0.4/(MnOx)2‐C3N4 display perfect catalytic activity towards decomposition of hydrous hydrazine to produce hydrogen in alkaline solution, with the value of turnover frequency (TOF) is 2749 h−1 at 323 K. Simultaneously, the as‐synthetic catalyst remains outstanding hydrogen selectivity and stability after five recycles. This work proposes a novel strategy for structural modification catalysts to enhance the catalytic performance for dehydrogenation of hydrous hydrazine.
Nafion/Aquivion‐Based Composite Lithium Ion Exchange Membranes for High Capacity Li‐S Batteries
Authors: Dombaycıoğlu Şeyma , Günsel Hilal , Aydın Ali Osman 
Published: October 2022

AbstractLithiated Nafion (Li‐Naf) and lithiated Aquivion (Li‐Aqu) ion exchange membranes are applied as electrolyte and separator to prevent the polysulfide shuttle effect in Li−S batteries. The production and characterization of Li‐Naf, Li‐Aqu, and their composites (2 : 1, 1 : 1, and 1 : 2; w/w) are carried out. The ion exchange capacity and polysulfide transition of the produced membranes are examined and structural characterizations are conducted via Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), thermogravimetric analysis (TGA) and field emission scanning electron microscopy (FESEM). CR2032 half cells are assembled in order to perform electrochemical analysis. The electrochemical performances of the membranes are investigated by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic charge‐discharge tests. Due to the low equivalent weight of Aquivion, the ion exchange capacity and ionic conductivity of the membrane enhance with the increasing amount of Li‐Aqu in the composite membrane. Because of the synergistic effect of Nafion and Aquivion, Li‐Naf : Li‐Aqu/1 : 2 composite offers 61.2 % capacity retention and the best electrochemical discharge capacity of 826 mAhg−1 after 100 charge‐discharge cycles. As a result, Nafion and Aquivion composite membranes can successfully inhibit the shuttle movement of negatively charged polysulfide species while allowing the transition of positively charged lithium ions for high performed Li−S batteries.
Tuning the Properties of Metal‐Organic Cages through Platinum Nanoparticle Encapsulation
Authors: Shi Hua‐Tian , Luo Shi‐Ting , Ma Hui‐Rong , Yu Weibin , Wei Xianwen 
Published: October 2022

AbstractMetal‐organic cages (MOCs) are promising candidates for drug deliveries, catalysis, and host‐guest systems. In addition, their own finite cavities can control to the sizes and shapes of metal nanoparticles (MNPs), leading to promote their catalytic performance. Herein, we used half‐sandwich rhodium moieties with pyridyl ligands through coordination‐driven self‐assembly strategy and bridged‐unit (tpphz)‐mediated host‐guest complex formation in concert to produce a sufficient cavity with about 2.0 nm of size that facilitate to prepare controllably sizes and shapes of MNPs. Specifically, a metal‐organic cage1, containing robust ligands (tpeb) and bridged units, has been successfully synthesized and fully characterized by several spectroscopic techniques. Its final structure was unambiguously confirmed by single‐crystal X‐ray diffraction (SCXRD). The pyridyl ligand units of1underwent noncovalent complexation with platinum nanoparticles to yield a Pt‐NPs@1 under UV‐visible irradiation of K2PtCl6. Moreover, UV and CV were carried out to determine the redox properties of1and Pt‐NPs@1, finding that Pt‐NPs@1has a good redox property. Therefore, the supramolecular composites were used as catalysis for degradation of dye stuffs in aqueous solution, exhibiting good selectivity and activity.
Nanoengineering a Zeolitic Imidazolate Framework‐8 Capable of Manipulating Energy Metabolism against Cancer Chemo‐Phototherapy Resistance
Authors: Lu Shuaijun , Tian Hailong , Li Lei , Li Bowen , Yang Mei , Zhou Li , Jiang Hao , Li Qiong , Wang Weihua , Nice Edouard C. , Xie Na , Huang Canhua , Liu Lin 
Published: October 2022

AbstractChemo‐phototherapy has emerged as a promising approach to complement traditional cancer treatment and enhance therapeutic effects. However, it still faces the challenges of drug efflux transporter‐mediated chemoresistance and heat shock proteins (HSPs)‐mediated phototherapy tolerance, which both depend on an excessive supply of adenosine triphosphate. Therefore, manipulating energy metabolism to impair the expression or function of P‐glycoprotein (P‐gp) and HSPs may be a prospective strategy to reverse cancer therapeutic resistance. Herein, a chondroitin sulfate (CS)‐functionalized zeolitic imidazolate framework‐8 (ZIF‐8) chemo‐phototherapy nanoplatform (CS/ZIF‐8@A780/DOX NPs) is rationally designed that is capable of manipulating energy metabolism against cancer therapeutic resistance by integrating the photosensitizer IR780 iodide (IR780)‐conjugated atovaquone (ATO) (A780) and the chemotherapeutic agent doxorubicin (DOX). Mechanistically, ATO and zinc ions that are released in the acidic tumor microenvironment can lead to systematic energy exhaustion through disturbing mitochondrial electron transport and the glycolysis process, thus suppressing the activity of P‐gp and HSP70, respectively. In addition, CS is used on the surface of ZIF‐8@A780/DOX NPs to improve the targeting capability to tumor tissues. These data provide an efficient strategy for manipulating energy metabolism for cancer treatment, especially for overcoming cancer chemo‐phototherapy resistance.
N6‐methyladenosine modification in trophoblasts promotes circSETD2 expression, inhibits miR‐181a‐5p, and elevates MCL1 transcription to reduce apoptosis of trophoblasts
Authors: Wang Dan , Guan Hongbo , Wang Ying , Song Guiyu , Xia Yajun 
Published: October 2022

AbstractPreeclampsia (PE) is an obstetric disorder. N6‐methyladenosine (m6A) modification is related to PE trophoblast biological behaviors. This study explored the mechanism of m6A‐modified circSETD2 in trophoblast biological behaviors. Chorionic trophoblast apoptosis and circSETD2 expression in PE rat models were detected. HTR8/SVneo cells were induced by CoCl2 to establish PE trophoblast models. circSETD2 was silenced or overexpressed to evaluate its effect on cell proliferation, invasion, and apoptosis. m6A level of circSETD2 in trophoblasts was changed by pcDNA3.1‐METTL3 and pcDNA3.1‐FTO. The targeting relations among miR‐181a‐5p, circSETD2, and MCL1 were verified by dual‐luciferase assay. miR‐181a‐5p and MCL1 expressions were interfered with to confirm the effect of m6A‐modified circSETD2. m6A methylation level was changed in PE rats for in vivo validation. PE rats showed diminished circSETD2 expression and increased apoptosis index. circSETD2 overexpression promoted trophoblast proliferation and invasion, and reduced apoptosis. METTL3 overexpression increased total m6A, circSETD2 m6A, and circSETD2 levels. m6A modification mediated circSETD2 upregulation. circSETD2 was a sponge of miR‐181a‐5p to elevate MCL1 transcription. miR‐181a‐5p overexpression or MCL1 silencing annulled the role of m6A‐modified circSETD2. circSETD2 inhibition negated suppression of METTL3 overexpression on chorionic trophoblast apoptosis in vivo. Collectively, m6A modification of circSETD2 suppressed miR‐181a‐5p and increased MCL1 transcription, thus regulating trophoblasts.
Depolymerization of polyaromatic hydrocarbons by Penicillium spp. inhabit the phyllosphere of urban ornamental plants
Authors: Dharmasiri R. B. N. , Undugoda L. J. S. , Nilmini A. H. L. , Pathmalal M. M. , Nugara N. N. R. N. , Udayanga D. , Kannangara S. 
Published: October 2022

AbstractA variety of anthropogenic sources release hazardous polyaromatic hydrocarbons (PAHs) into the phyllosphere which is an excellent niche for diverse fungi, and some of them have PAHs degradation capabilities. Therefore, this research attempted to determine the PAHs (phenanthrene, anthracene, naphthalene, and pyrene) degradation capability of phyllosphere inhabited Penicillium species. The leaf samples were collected from highly polluted urban areas (Panchikawatta, Pettah, Orugodawatta, Maradana, Sapugaskanda, and Colombo Fort) in Sri Lanka to isolate fungal species inhabiting the phyllosphere. Furthermore, their distribution patterns among the leaf tissue layers were studied using bright‐field microscopic observations. Moreover, the best PAH degraders were screened out using plate assays and confirmed through High Performance Liquid Chromatography (HPLC) analysis. Further, their enzymatic activities during the PAHs degradation were analyzed. As per the microscopic observations, the highest fungal distribution was in the upper epidermis of the leaves followed by the fungal distribution in the interspaces of palisade mesophyll layers. Out of isolated fungal species, two Penicillium spp. (Penicillium citrinum P23B‐91 and Penicillium griseofulvum P9B ‐ 30) showed the highest PAHs (phenanthrene, anthracene, naphthalene, and pyrene) degradation capabilities. Manganese peroxidase (MnP) enzyme dominated phenanthrene degradation in P. griseofulvum P9B ‐ 30, which showed the highest phenanthrene degradation ability (61%). In addition, P. citrinum P23B‐91 was good at degrading anthracene (88%) and also displayed a higher MnP activity during the anthracene degradation than laccase and lignin peroxidase activities. The discoveries from the toxicity assay during the PAHs degradation processes revealed that the produced byproducts had no toxic effects on the fungal growth cycle and the phyllosphere. Therefore this phyllosphere Penicillium spp. are ideal for the bioremediation of polluted air in urbanized areas.
Protein fractionation of Hibiscus cannabinus (kenaf) seeds, its characterization, and potential use for water treatment
Authors: Okoro Benjamin U. , Sharifi Soroosh , Jesson Mike , Bridgeman John 
Published: October 2022

AbstractThis study evaluates the coagulation performance of kenaf protein fractions (KPFs) comprising of albumin (AlbKP), globulin (GloKP), prolamin (ProKP), and glutenin (GluKP), in the treatment of high (500 NTU), medium (150 NTU), and low (30 NTU) turbidity water. Based on preliminary experimental results, the study focused on GloKP due to it outperforming the other kenaf coagulation products (KCPs) in all water types tested. The influence of GloKP, both as a primary coagulant and coagulant aid to aluminum sulfate (AS) on organic matter removal, was examined. Parametric analysis on turbidity, TSS, pH, dosages, retention time, and KPFs storage time was completed. Results indicated that GloKP could be used both as a primary coagulant and coagulant aid. GloKP had a higher turbidity and solids removal than the AlbKP and other KPFs (ProKP and GluKP). Solution pH greatly influenced the performance of the GloKP, and optimum dosage at pH 2 resulted in the highest organic matter removal. High dosages also resulted in negative mobility of particles and a more stable suspension. When used as a coagulant aid to AS, GloKP was more effective in removing dissolved organic carbon (DOC). Scanning electron microscopy elemental analysis (SEM‐EDAX) and Fourier transform infrared (FT‐IR) spectra showed the structure of the KPFs. SEM‐EDAX indicated the presence of metal cations capable of forming complexes essential for flocs formation. The enhanced floc formation, detailed in this paper, is ascribed to the collective effect of charge neutralization of the AS species and the adsorption and bridging effect of the GloKP, which improves the bonds formed between flocs. The coagulation–flocculation process can be significantly improved using dual coagulants. GloKP was also an excellent alternative to its crude (CrKP) and solvent extract (HxKP) form for removing suspended and dissolved particles from all water types.Practitioner Points

Kenaf protein fractionates can destabilize stable particles.
The globulin protein fractionate (GloKP) aggregated the most particles and contained least dissolved organic material.
GloKP is pH sensitive with pH 2 reported as best working pH.
Coagulant dosage and coagulation mechanism were assessed.
2,6‐Di(1H‐tetrazol‐1‐yl)pyridine and its cupric chloride complex
Authors: Grigoryev Evgeny Y. , Grigorieva Inna M. , Lyakhov Alexander S. , Ivashkevich Ludmila S. , Matulis Vadim E. , Lavrenova Ludmila G. , Voitekhovich Sergei V. , Grigoriev Yuri V. 
Published: October 2022

Abstract2,6‐Di(1H‐tetrazol‐1‐yl)pyridine (DTP) was prepared by a four‐stage procedure, including step‐by‐step heterocyclization of both amino groups of 2,6‐diaminopyridine with triethyl orthoformate and sodium azide. According to quantum‐chemical calculations and single crystal X‐ray diffraction data, DTP crystallizes in the form of the thermodynamically most stable conformer and has an almost flat molecular geometry. DTP was found to react with CuCl2 ⋅ 2H2O in ethanol to give the [Cu(DTP)Cl2(H2O)]n complex, which is a 1D coordination polymer, formed at the expense of bridging DTP ligand via the tetrazole ring nitrogen atoms N4. Possible coordination cites in DTP molecule are discussed using the data of quantum chemical calculations. The pyridine ring nitrogen atom of DTP does not participate in the formation of either coordination or intermolecular hydrogen bonds. This is explained by the results of quantum chemical calculations showing that this atom is less basic than N3 and N4 atoms of DTP molecule.
Traffic Safety in India and Vision Zero
Authors: Tiwari Geetam , Mohan Dinesh 
Published: October 2022

AbstractThis chapter presents the current state of traffic safety in India and a brief overview of history of traffic safety policies in India. The road safety policy adopted by the Government of India does not have any specific targets; however, the government has accepted the UN sustainable development goals (SDG) and targets in 2016. SDG 3.6 is related to road traffic injuries, and it requires that the fatalities due to road traffic crashes must be reduced by 50% by 2030. The last section of the chapter presents a roadmap for selected cities in India for achieving SDG target 3.6 by 2030 and discusses the results in the context of “Vision Zero” for India.
Evaluation of Crowd-Sourced PM2.5 Measurements from Low-Cost Sensors for Air Quality Mapping in Stuttgart City
Authors: Gitahi Joseph , Hahn Michael 
Published: October 2022

AbstractExposure to particulate matter (PM) pollution poses a major risk to the environment and human health. Monitoring PM pollution is thus crucial to understand particle distribution and mitigation. There has been rapid development of low-cost PM sensors and advancement in the field of Internet of Things (IoT) that has led to the deployment of the sensors by technology-aware people in cities. In this study, we evaluate the stability and accuracy of PM measurements from low-cost sensors crowd-sourced from a citizen science project in Stuttgart. Long-term measurements from the sensors show a strong correlation with measurements from reference stations with most of the selected sensors achieving Pearson correlation coefficients of r > 0.7. We investigate the stability of the sensors for reproducibility of measurements using five sensors installed at different height levels and horizontal distances. They exhibit minor variations with low correlation of variation (CV) values of between 10 and 14%. A CV of ≤10% is recommended for low-cost sensors. In a dense network, the sensors enable extraction pollution patterns and trends. We analyse PM measurements from 2 years using space-time pattern analysis and generate two clusters of sensors that have similar trends. The clustering shows the relationship between traffic and pollution with most sensors near major roads being in the same cluster.
Cooperative Planning Strategies in Urban Development Processes
Authors: Lahode Carolin , Schaumann Elisabeth 
Published: October 2022

AbstractCities face a variety of challenges today. To react on these challenges, especially the design of public space as a space of encounter and negotiation is important. In this context, cooperative planning processes are gaining more and more popularity, as cooperation seems to offer the chance to produce solutions for a diverse urban coexistence and a collective understanding of the common good.Despite the frequent use of the term, there is yet no clear definition of cooperative planning processes. In this regard, the article analyses the development process of the ‘Österreichischer Platz’ in Stuttgart. The project strategy included an open-ended experimental process over the course of 2 years with a multiplicity of stakeholders. The innovative cooperation of various initiatives, the civil population and representatives of the city administration and politics defines the project as a lighthouse project for urban development in Stuttgart.
Challenges to Turn Transport Behavior into Emission-Friendly Use of Means of Transport
Authors: Armstroff Torsten , Gaspers Lutz 
Published: October 2022

AbstractThe target of emission reduction in Germany requires a turn from petrol/diesel motorized private transport toward emission-free transport solutions. Besides electrified cars, bicycles, scooters, and pedelecs become more and more common: easy to finance, easy to use, fast in town, reliable, and emission-free. Hence, many local authorities intend to force bicycle use significantly. Almost every German citizen owns a bicycle; however, roughly 50% are used less than once a month or not at all.Bicycle traffic contributes just 11% to Germany’s modal split (amount of moves). Other countries nearby indicate that pedelec movement will become a significant player in people movement. The means of transports are just one side of the medal of the turn to future transport opportunities.Is it necessary to own vehicles, bicycles, and scooters? There are plenty of scenarios, where private ownership of means of traffic does not solve transport problems and/or lacks of availability at a certain point of need.How does sharing satisfy local transportation needs? How can sharing of emission-free vehicles contribute to a successful future transportation in Germany? The chapter will focus on a few hints to answer these questions, building on findings of studies and field tests and the view beyond the German horizon.
Marriage Matters. Or Does It?
Authors: Lee Rennie , Baxter Janeen 
Published: October 2022

AbstractMarried couples generally experience higher levels of subjective wellbeing than cohabiting couples or single people, though the relationship between wellbeing and partnering is context-specific. Marriage has different benefits for different demographic and subgroups and varies by gender, nativity, birth region, and country contexts. We find that across several measures of socioeconomic wellbeing, married individuals show better outcomes than their cohabiting counterparts and single individuals. Married individuals are more likely to be employed, own a home, and have access to emergency funds, net of various socioeconomic and demographic controls. These advantages remain even when we consider their outcomes after they have transitioned to marriage controlling for unobserved and observed bias. We find no substantive differences in health and wellbeing across individuals of different marital statuses. We conclude that policies aimed at supporting individuals to achieve fulfilling lives must recognise increased diversity in partnership arrangements and provide strong supports to those who choose not to pursue traditional marital arrangements.
Parenthood: Disrupting the Intergenerational Transmission of Social Disadvantage
Authors: Burke Kylie , Dittman Cassandra K. 
Published: October 2022

AbstractThis chapter examines parenthood, arguably one of the most significant life course transitions in an individual’s life with consequences not just for the adults involved, but also children whose developmental outcomes are strongly influenced by parenting styles, practices and resources. We examine how parenting practices are influenced by social disadvantage, including disadvantage at the individual, family and community levels, arguing that this influence is complex and multi-directional, with reciprocal associations among children, parents, family systems and the broader social and economic ecology. Parenting support programs are an important means of interrupting the intergenerational transmission of disadvantage, but these programs require rigorous evaluation to ensure optimal use of resources and outcomes for children. We conclude by drawing attention to the need for programs that support parenting across all stages of the life course, including during emerging adulthood and grandparenthood.
Verification of Variability-Intensive Stochastic Systems with Statistical Model Checking
Authors: Lazreg Sami , Cordy Maxime , Legay Axel 
Published: October 2022

AbstractWe propose a simulation-based approach to verify Variability-Intensive Systems (VISs) with stochastic behaviour. Given an LTL formula and a model of the VIS behaviour, our method estimates the probability for each variant to satisfy the formula. This allows us to learn the products of the VIS for which the probability stands above a certain threshold. To achieve this, our method samples VIS executions from all variants at once and keeps track of the occurrence probability of these executions in any given variant. The efficiency of this algorithm relies on Algebraic Decision Diagram (ADD), a dedicated data structure that enables orthogonal treatment of variability, stochasticity and property satisfaction. We implemented our approach as an extension of the ProVeLines model checker. Our experiments validate that our method can produce accurate estimations of the probability for the variants to satisfy the given properties.