bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultrasound‐Assisted Green Synthesis of Ag‐Decorated ZnO Nanoparticles UsingExcoecaria agallochaLeaf Extract and Evaluation of Their Photocatalytic and Biological Activity
Authors: Khan Mujahid S. , Dhavan Pratik P. , Jadhav Bhaskar L. , Shimpi Navinchandra G. 
Published: October 2020

AbstractThe present study deals with the synthesis of ZnO and Ag‐ZnO nanoparticles using Excoecaria agallocha leaf extract under a controlled ultrasound cavitation technique. The characterization of the as‐synthesized ZnO and Ag‐ZnO nanoparticles (different molar concentration of Ag) were subjected to Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction analysis (XRD), UV‐Visible Diffuse reflectance spectroscopy (UV‐Vis DRS), Thermogravimetric analysis (TGA), N2 adsorption‐desorption isotherm (BET), scanning electron microscopy(SEM) and transmission electron microscopy (TEM). The photocatalytic performance of ZnO and Ag‐ZnO nanoparticles as catalysts were studied for hazardous organic dyes such as methylene blue (MB) and rhodamine‐B (Rh−B) under solar light irradiation. The degradation study follows pseudo‐first‐order kinetics. The effective degradation of MB was found to be 56.44 % (ZnO nanoparticles) and 98.44 % Ag‐ZnO nanoparticles, respectively at 100 min at the molar ratio (0.25 : 1). Whereas, Rh−B shows 27.50 % (ZnO nanoparticles) and 98.83 % at the same molar ratio of Ag‐ZnO nanoparticles at 80 min. Among the as‐synthesized nanoparticles, Ag‐ZnO at molar ratio 0.25 : 1 shows effective photocatalytic activity. Besides these as‐synthesized nanoparticles exhibited good antimicrobial activity with an increase in Ag nanoparticles decorated into ZnO. A similar trend was observed in antioxidant and anti‐inflammatory activity.
Understanding the Influence of the Trifluoromethyl Group on the Selectivities of the [3+2] Cycloadditions of ThiocarbonylS‐methanides with α,β‐Unsaturated Ketones. A MEDT study
Authors: Benhamed Lakhdar , Mekelleche Sidi Mohamed , Benchouk Wafaa , Charif Imad Eddine , Ríos‐Gutiérrez Mar , Domingo Luis Ramon 
Published: October 2020

AbstractExperimentally (G. Mlostoń et al.,J. Fluor. Chem.2016,190, 56–60), it has been found that the type of the obtained cycloadduct of the [3+2] cycloaddition (32CA) reaction of thiocarbonylS‐methanides with α,β‐unsaturated ketones depends strongly on the location of the trifluoromethyl group. In the case of enones containing the CF3CH=CH moiety, the 32CA reaction occurs chemo‐ and regioselectively onto the C=C double bond giving trifluoromethylated tetrahydrothiophene derivatives. On the other hand, enones containing the CF3−C=O fragment react as carbonyl heteroethylenes leading to trifluoromethylated 1,3‐oxathiolanes also in a chemo‐ and regioselective manner. Our aim in the present work is to perform a theoretical study of the all chemo‐, regio‐, and stereo‐isomeric reaction paths of these 32CA reactions within the Molecular Electron Density Theory. Activation Gibbs free energies, calculated at the B3LYP/6‐311G(d,p) level in tetrahydrofurane at −40 °C, show that theortho/endoreaction path giving the trifluoromethylated tetrahydrothiophene is more favoured, while themeta/endoreaction path leading to trifluoromethylated 1,3‐oxathiolanes is more preferred in total agreement with experimental findings. The low activation barriers in combination of the Electron Localization Function topological analysis of the most relevant points along the Intrinsic Reaction Coordinate reveals thepseudomonoradicalcharacter of the studied 32CA reactions.
In Vitro, Molecular Docking, and In Silico Binding Mode Analysis of Organic Compounds for Antimicrobial and Anticancer Activity against Jurkat, HCT116, and A549 Cell Lines.
Authors: Naha Sanay , Govindaiah Shivaraja , Sreenivasa Swamy , Prakash Jeevan Kallur , Velmathi Sivan 
Published: October 2020

AbstractA set of four novel organic molecules bearing hydrazide, azomethine, and sulfonamide linkages were synthesized by a condensation reaction, and characterized using ubiquitous spectroscopic techniques. The synthesized molecules were screened against Jurkat, HCT116, and A549 cell lines for their in‐vitro cytotoxic activity, antimicrobial activity and were found to be promising as anticancer and antimicrobial agents. Among four molecules, pyridine‐hydroxynaphalene based molecule (R3) showed comprehensive anticancer activity towards all three cancer cell lines. On the other hand, R1, R2, and R4 were found to be moderate antimicrobial agents. The mode of action for anticancer activity and antimicrobial activity was further supported by molecular docking studies of the potent compounds against the enzyme Methinonyl‐TRNA Synthetase (PDB ID:1PG2), bacterial DNA Gyrase B (PDB ID:3G75), and yeast GTPase (PDB ID:3 A58). Further, Molecular dynamics (MD) simulations studies were analyzed to study the stability of the ligand‐protein complex.
Organic‐Inorganic Hybrid Perovskite Nanomaterials: Synthesis and Application
Authors: Zhang Anni , Lv Qianrui 
Published: October 2020

AbstractIn recent years, organic‐inorganic hybrid perovskite materials have drawn immense attention in the application of optoelectronic devices due to their superior semiconductor characteristics. Among them, organic‐inorganic hybrid perovskite nanomaterials with advantages such as long charge carrier diffusion lengths, high charge carrier mobilities, low trap‐state‐density, high photoluminescence quantum efficiency and low‐cost solution processability have shown great development potential in the field of semiconductor devices. In this review, we firstly summarize several synthesis strategies for organic‐inorganic hybrid perovskite nanomaterials, including template method, hot injection method, ligand‐assistant reprecipitation strategy, chemical vapor deposition method, microfluidic reactor method, ultrasound synthesis and mechanical ball milling method and analyze their own advantages and limitations. Subsequently, the research progress in applications in the field of light emitting diodes, solar cells, lasers and photodetectors are reviewed. At the end of this review, current challenges and future developments are discussed.
Selective eradication of pluripotent stem cells by inhibiting DHODH activity
Authors: Kondo Toru 
Published: October 2020

Abstract
Pluripotent stem cells (PSCs), such as embryonic stem cells and induced pluripotent stem cells, give rise to all kinds of functional cells, making them promising for successful application in regenerative medicine. However, there is concern that a PSC-derived differentiated cell population may form teratomas when used for cell therapy if the population contains undifferentiated PSCs. Therefore, for the success of regenerative medicine, it is crucial to establish methods that induce complete PSC differentiation and eliminate the contamination of PSCs. Here, I show that the dihydroorotate dehydrogenase (DHODH) inhibitor brequinar (BRQ) induced cell cycle arrest, cell death, and stemness loss in mouse PSCs (mPSCs), whereas it was less toxic against normal tissue-specific stem cells and differentiating cells. I demonstrate that BRQ-pretreated mPSCs did not form teratomas after being transplanted into NOD/SCID mice. Moreover, BRQ administration to teratoma-bearing mice prevented tumor growth and decreased PSC marker levels in the tumor without any visible effects in the differentiated germ layer cells and the mice. Collectively, these data suggested that DHODH inhibitors such as BRQ can be indispensable in the fundamental methods of PSC-based therapy.
Tackling the issues of self‐compacting concrete containing high volume of waste glass aggregate by zeolite
Authors: Khalooee Saeed , Ahmadi Babak , Askarinejad Azadeh , Nekooei Masoud 
Published: October 2020

AbstractThe use of waste glass in concrete can bring significant economic and environmental benefits due to reduction of landfills and demand for natural aggregates. This paper presents a comprehensive investigation on the feasibility of using high volume of waste glass as fine aggregate in self‐compacting concrete (SCC). A detailed investigation on fresh behavior of mixtures was performed by evaluating filling ability, stability, passing ability, and viscosity of SCC mixtures. Compressive strength and electrical resistivity experiments and scanning electron microscope analysis were also performed to investigate the strength and durability of the concrete mixtures. Furthermore, alkali silica reaction (ASR) potential of different size ranges of the used glass was assessed. The obtained results revealed that excessive bleeding and segregation and deleterious ASR expansion are possible challenges of incorporating fine glass aggregates in SCC. Interestingly, there was no evidence that glass has a considerable impact on the mechanical performance of concrete whereas it increased the electrical resistivity of concrete. Utilizing high volume of waste glass in SCC up to 600 kg/m3 became feasible when a part of portland cement was substituted with zeolite.
Application of xylitol on nitrogen removal from saline wastewater through “Candidatus Brocadia sinica”‐dominated anammox process under low temperature
Authors: Guo Ziting , Bai Lijing , Li Ronggui , Wang Jingchao , Li Jin 
Published: October 2020

AbstractXylitol was first applied to enhance nitrogen removal from saline wastewater through “Candidatus Brocadia sinica”‐dominated anammox process under low temperature. The reactor was maintained at 15°C, and the salinity of wastewater was 35 g/L. Ammonium removal rate (ARR) and nitrite removal rate (NRR) were stable at around 0.27 kg/(m3 d) without xylitol addition. As an osmotic pressure regulator and cryoprotective agent, optimal ARR and NRR were 0.51 kg/(m3 d) and 0.63 kg/(m3 d) at 0.3 mM xylitol. At the addition of 1 mM high‐dosage xylitol, there existed dissimilatory reduction in nitrate to ammonium nitrogen and heterotrophic denitrification in the reactor. Remodified logistic model was suitable to simulate removal process with xylitol addition. As a result, xylitol dose should be controlled within 0.3 mM, which greatly promoted the nitrogen removal from saline wastewater under low temperature.Practitioner points

Xylitol could be used as osmotic pressure regulator and cryoprotective agent to enhance nitrogen removal.

The optimal dose was achieved at 0.3 mM xylitol for “Candidatus Brocadia sinica” in low‐temperature saline wastewater.

High‐dosage xylitol could interfere with nitrogen removal efficiency due to the presence of DNAR and HB.

Remodified logistic model was suitable for the analysis and prediction of nitrogen removal process with xylitol addition.
3d‐metal (Cr to Zn) Nitrilotris(Methylenephosphonate)s with different coordination symmetries: Electronic Structure and Chemical Bond
Authors: Chausov Feodor Feodorovich , Lomova Natalya Valentinovna , Somov Nikolay Viktorovich , Kholzakov Aleksandr Vladimirovich , Maratkanova Alyona Nikolaevna 
Published: October 2020

AbstractIn this study, we present a comparative study of two parallel isostructural series of the 3d‐metal coordination complexes with nitrilotris(methylenephosphonic acid) H6{N(CH2PO3)3} (NTP, H6L) as a ligand. The series were analyzed by comparing their complexes in the spatial distribution of electron density and electron‐energy spectrum extracted from the XRD and XPS data, respectively. The first isostructural series (M=CrII, MnII, FeII, CoII, NiII, CuII, ZnII) contains a fourfold (four‐times) protonated ligand (H4L2−) and has a slightly distorted octahedral coordination of 3d‐metal atom by three O atoms of PO3 groups and three water molecules. The second isostructural series (M=MnII, CoII, CuII, ZnII) with the fully deprotonated ligand (L6−) has a distorted trigonal‐bipyramidal coordination of 3d‐metal atom with four O atoms of PO3 groups and N atom in the vertex. The complex of L6− with NiII, which is structurally close to the second series complexes, has a slightly distorted octahedral coordination of Ni atom with four O atoms of PO3 groups, N atom and an additional water molecule. For fully deprotonated PO3 groups, considerable shift of electron density is observed away from the center of the phosphorus atom to all the three P−O bonds. The protonation of only one of the oxygen atoms causes the shift of electron density from all the three P−O bonds to the center of the phosphorus atom and localization of P3s electron pair.
BeStSel: From Secondary Structure Analysis to Protein Fold Prediction by Circular Dichroism Spectroscopy
Authors: Micsonai András , Bulyáki Éva , Kardos József 
Published: October 2020

Abstract
Far-UV circular dichroism (CD) spectroscopy is a classical method for the study of the secondary structure of polypeptides in solution. It has been the general view that the α-helix content can be estimated accurately from the CD spectra. However, the technique was less reliable to estimate the β-sheet contents as a consequence of the structural variety of the β-sheets, which is reflected in a large spectral diversity of the CD spectra of proteins containing this secondary structure component. By taking into account the parallel or antiparallel orientation and the twist of the β-sheets, the Beta Structure Selection (BeStSel) method provides an improved β-structure determination and its performance is more accurate for any of the secondary structure types compared to previous CD spectrum analysis algorithms. Moreover, BeStSel provides extra information on the orientation and twist of the β-sheets which is sufficient for the prediction of the protein fold.
The advantage of CD spectroscopy is that it is a fast and inexpensive technique with easy data processing which can be used in a wide protein concentration range and under various buffer conditions. It is especially useful when the atomic resolution structure is not available, such as the case of protein aggregates, membrane proteins or natively disordered chains, for studying conformational transitions, testing the effect of the environmental conditions on the protein structure, for verifying the correct fold of recombinant proteins in every scientific fields working on proteins from basic protein science to biotechnology and pharmaceutical industry. Here, we provide a brief step-by-step guide to record the CD spectra of proteins and their analysis with the BeStSel method.
Migrants’ Access to Social Protection in Germany
Authors: Schnabel Reinhold 
Published: October 2020

AbstractMigration patterns in Germany have changed considerably during the post-war period. The active recruitment of “guest workers” stopped during the 1970s and was replaced by family reunification. Two big crisis-driven immigration waves swept Germany, following the collapse of Yugoslavia and the crises in the countries from Syria to Afghanistan. These immigration waves triggered legislation aimed at reducing immigration incentives, especially in the asylum law. From the early 2000s on, German policy turned more liberal following the EU Directives on freedom of movement and for highly qualified persons from non-EEA countries. Migration patterns changed dramatically, with EEA countries becoming the leading source of German immigration. EEA countries replaced the Anglo-Saxon immigration countries as the leading sources and destinations of migration. It is reassuring for economic policy that EU migrants, notably from Bulgaria and Romania, display high levels of employment and have boosted German employment, while unemployment rates reached historic lows. During the past decades, migration obstacles for EEA citizens have been lowered or abolished. Main obstacles to immigration of non-EEA citizens persist due to the restrictive law on residence permits. As a result, student visas, academic credentials, or family reunification are the main legal pathways to Germany. Given the difficulty to proof the equivalence of a foreign non-academic degree, it is far more promising for persons from third countries to apply for asylum with the chance to get a permanent residence permit after several years as a tolerated migrant.
Migrants’ Access to Social Protection in Luxembourg
Authors: Kerschen Nicole 
Published: October 2020

AbstractFor over 100 years, Luxembourg has been an immigration country. In 2019, 93% of the resident population are European citizens. Luxembourg nationals represent 53% of the entire population, nationals from other European Union (EU) Member States 40% and non-EU foreigners 7%. These three groups have different rights regarding residence and access to work in Luxembourg. All persons engaged in a professional activity in Luxembourg, whatever their nationality or residence, are covered by a compulsory social security system. The essence of the Welfare State, whose origins date back to the Customs Union with Germany, is Bismarckian. It protects workers against the following social risks: unemployment, sickness and maternity, long-term care needs, family, invalidity and old age. Family members are entitled to derived rights. Regarding health-care and old age pensions, it is possible to subscribe a voluntary insurance under specific conditions. A guaranteed minimum income, recently reformed, is accessible to everybody residing legally in Luxembourg under specific conditions. For non-EU foreigners, a residence for at least 5 years during the last 20 years or the possession of a long-term resident status is required.
Migrants’ Access to Social Protection in Malta
Authors: Vella Sue 
Published: October 2020

AbstractThis chapter analyses social security benefits for migrants in Malta. Since the early years of the millennium, levels of immigration to Malta have increased sharply among both European Union (EU) nationals and third-country nationals. Malta’s accession to the EU, and its booming economy in recent years, has attracted a steadily rising number of EU nationals, while numbers of asylum seekers and other third-country nationals meeting labour shortages in Malta have also risen steadily. The chapter considers the conditions of migrants’ access to unemployment, healthcare, family benefits, pensions and guaranteed minimum resources. In the case of EU nationals, since 2004 they have been entitled to benefits on the same terms as Maltese nationals, except for social assistance which they cannot claim, at least in the first three months of their stay and the subsequent job search period. The case is more complex for third-country nationals whose eligibility differs according to whether they are long-term residents, refugees, asylum-seekers or in Malta on the basis of an employment licence. It is hoped that the recently introduced Integration Strategy may help provide a pathway to equal treatment of migrants who make Malta their home.
Migrants’ Access to Social Protection in Poland
Authors: Chłoń-Domińczak Agnieszka 
Published: October 2020

AbstractPoland was traditionally an “emigration country”, but the available data indicates that the migration patterns in Poland changed significantly after the EU accession. While in the course of the 1990s, after economic transition, the international mobility of Poles declined, it accelerated after the EU accession in May 2004. The large scale of emigration also led to labour market shortages in Poland. In recent years, Poland observed a high inflow of migrant workers, particularly from Ukraine. The increasing share of foreigners residing in Poland creates a challenge for the social protection system, which has quite complex eligibility rules. Furthermore, many non-EU nationals are working in the informal economy with no access to social protection.
Migrants’ Access to Social Protection in Sweden
Authors: Ahlén Anton , Palme Joakim 
Published: October 2020

AbstractWhile the Swedish welfare state has undergone an intensified market orientation and a number of cutbacks since 1990, it has maintained many of its universal characteristics. It still provides all residents with a rather extensive system of benefits from the cradle to the grave. This chapter contributes to a systematic and detailed analysis of eligibility criteria and conditions for accessing social benefits in five core policy areas of the Swedish social security system. As universalism continues to be a cornerstone of the Swedish welfare state, nationality or the immigration status of a person does not condition his/her entitlement to social security benefits. More recently, however, a political debate has emerged regarding immigration and the welfare system, both in terms of the benefit system being a magnet that attracts migrants and concerning the capacity of the system to cope with large-scale immigration. By discussing the main features of the Swedish welfare regime and key patterns and policy developments in the field of migration, the chapter seeks to account for recent developments, trends and directions in the access to social protection for residents, non-national residents and non-resident nationals.
Migrants’ Access to Social Protection in Cyprus
Authors: Koutsampelas Christos 
Published: October 2020

AbstractCyprus has been an attractive destination for labour migration the last decades. The needs of the growing migrant population are catered by an evolving and continuously adapting welfare system. The chapter analyses the main features of the current welfare system in Cyprus with brief references to recent migration patterns and the wider economic context to analyse how differences in statutory provisions affect the access of nationals and migrants to social protection. The overall conclusion is that there are few statutory provisions differentiating conditions of access among the two groups. These differences are observed in regard to means-tested non-contributory benefits and mostly affect non-EU foreign citizens, while there are not specific social protection schemes targeting national citizens residing abroad.
Diaspora Policies, Consular Services and Social Protection for Italian Citizens Abroad
Authors: Caldarini Carlo 
Published: October 2020

AbstractAccording to some estimates, about 60 million people of Italian origin live outside of Italy today. To manage and, at first, encourage emigration, Italy has historically built a composite diaspora infrastructure. As discussed in the first part of this chapter, instruments to consult and represent politically citizens abroad have been core features of Italy’s diaspora engagement policies. The second part of the chapter examines the social protection dimension of diaspora more closely and highlights the central role played by the Patronati (welfare advice centers). As explained, the Patronati are to this day a unique institution at the international level, by which Italians abroad can be helped, free of charge, to gain access to social protection in Italy and abroad.
Difficult Diseases: Tuberculosis and Other Infections
Authors: Hilton Claire 
Published: October 2020

AbstractThe pre-war annual asylum death rate of under ten per cent rose to 12 per cent in 1915–1916, and 20 per cent in 1918. There was little alarm, because causes of death were the same as pre-war, often infectious diseases, so it did not indicate staff failing in their duty of care, such as if the rise been attributed to “accidents” or suicide. Little was done to stem the rising death rate. A parallel rise did not occur in community dwelling civilians. Numerous practices, known to be unhygienic, risked spreading infection. They included: treating healthy and infectious patients together in open wards; lack of hand washing by laundry and kitchen workers and by patients after using the lavatory; lack of measures to prevent inhalation of mycobacterium tuberculosis; and drying soiled underclothing in the ward to be worn again without washing. Overcrowding, understaffing and war time austerity aggravated the situation.