bluuebunny/crossref_metadata_2025_split huggingface dataset:
PFAS Experts Symposium 2: An update on advances in chemical analysis of PFAS
Authors: Fiorenza Stephanie , Denly Elizabeth , Vitale Rock J. , Nigro Nick , Leahy Maureen C. , Neslund Charles , Blye David R. , Farmer Norman 
Published: January 2022

AbstractAs quickly as our understanding of the nature and extent of per‐ and polyfluoroalkyl substances (PFAS) in the environment has developed, the analytical chemistry tools we use to study and quantify them have evolved. The last 5 years have seen commercial laboratories scramble to analyze atypical and unusual samples submitted by concerned citizens and governmental agencies. The unusual matrices have pushed innovative sample extraction techniques, as the regulated community and the laboratories await a final multilaboratory validated method to provide direction for the analysis of PFAS in matrices beyond drinking water. The large number of PFAS compounds has also sparked interest in the development of methods to screen for all PFAS without quantifying the individual constituents. Measurement of total PFAS is also useful in consumer product testing. New methods to determine total PFAS are in varying stages of development and are described in detail herein. The fact that there are more PFAS chemicals than can be quantified by commercial laboratories has also promoted the development of nontarget analysis (NTA) using sophisticated instrumentation. This article provides the basis of NTA and examples of its novel applications in forensics and compound identification. The pace of change in PFAS analysis is breathtaking and challenging for all those studying environmental impacts of PFAS. Updates on key topics as can be found in this article serve an important need for the remediation community.
Accelerated Leaching of Unmodified Gold Nanoparticles for Environmental and Biological Monitoring of Nitrite and Nitrate
Authors: Sepahvand Marzieh , Ghasemi Forough , Hosseini Hossein Mirseyed 
Published: January 2022

AbstractAccurate, simple, and economical control of nitrite and nitrate concentrations is of great importance because of the adverse environmental effects and threats to the food chain of living organisms. Due to the high potential of plasmonic nanoparticles (NPs) especially gold NPs (AuNPs) in sensor design, in this study, we have presented a method for nitrite and nitrate measurement based on leaching of spherical AuNPs. We have utilized a non‐toxic thiol‐containing compound that forms cationic complexes with gold ions and consequently speeds up the leaching process. Therefore, it is possible to measure nitrite ions at room temperature by changing the size of plasmonic NPs and subsequently producing measurable signals, including spectral and color changes. Due to the easy synthesis of spherical NPs, which are the most thermodynamically and kinetically favorable morphology, this probe is simple and cost‐effective with no need for well‐trained personnel. Under optimal conditions, a linear range was obtained from 10.0 to 80.0 μmol L−1 with a limit of detection as low as 0.13 μmol L−1. Nitrate was measured indirectly and after reduction to nitrite by zinc powder. The linear range obtained for nitrate was 1.2 to 3.5 mmol L−1 and the detection limit was as low as 96.2 μmol L−1. Furthermore, the designed probe could determine nitrite and nitrate in environmental, food, and biological samples with high quantitative accuracy. Due to its simplicity and high accuracy, this method can reliably smooth the problems caused by other laboratory methods in measuring nitrite and nitrate.
Nanocomposite Materials Developed from Nano‐hydroxyapatite Impregnated Chitosan/κ‐Carrageenan for Bone Tissue Engineering.
Authors: Zia Iram , Jolly Reshma , Mirza Sumbul , Rehman Abdur , Shakir Mohammad 
Published: January 2022

AbstractHerein, nano‐hydroxyapatite impregnated chitosan/κ‐carrageenan (nHAp/CHI/κ‐CGN) nanocomposite was prepared through co‐precipitation approach and was compared with nano‐hydroxyapatite/chitosan (nHAp/CHI) nanocomposite for bone regeneration capability. The comparative assessment carried out through Scanning electron microscopy, Fourier transform infra‐red spectroscopy, X‐ray diffraction and mechanical testing revealed rough surface morphology, better interaction between the components, favorable crystallinity, and higher mechanical properties for the nHAp/CHI/κ‐CGN nanocomposite as compared to the bicomponent nanocomposite. Moreover, the in vitro biomineralization study showed increased deposition of apatite layer on nHAp/CHI/κ‐CGN nanocomposite as compared to nHAp/CHI nanocomposite. The cytocompatibility studies carried out using the MG‐63 cell line revealed greater cell viability when cultured in the presence of nHAp/CHI/κ‐CGN nanocomposite as compared to nHAp/CHI. In addition, appropriate swelling ability, enhanced protein adsorption, and favorable degradation rate were also observed for the nHAp/CHI/κ‐CGN nanocomposite. All the results substantiate that nHAp/CHI/κ‐CGN nanocomposite could be a better candidate for bone regeneration.
Polyvinyl butyral/3‐Hydroxy‐2‐naphthoic hydrazide/Poly (methylhydrosiloxane) Composite Coatings for Improved Stainless Steel Anticorrosion in Salt, Acid, and Alkali Solution
Authors: Chen Sifan , Li Anhang , Sun Min , Ma Zhidong , Zhang Yue , Wang Wei 
Published: January 2022

AbstractAn environmental‐friendly composite material, combining polyvinyl butyral (PVB), 3‐hydroxy‐2‐naphthoic hydrazide (HNH) and poly (methylhydrosiloxane) (PMHS), was prepared by facile mechanical agitation. Hydrazide compounds were used into coating to improve anti‐corrosion capability of 304 stainless steel in different environments. The tested results of structure and surface morphology showed that components were uniformly dispersed into PVB, and prepared coating on substrate was smooth without cracks and holes. According to the results of electrochemical impedance spectroscopy and potentiodynamic polarization, compared with other specimens, the parameters of PVB/HNH/PMHS coatings appeared as the downward change in corrosion current density (Icorr) and upward change in charge transfer resistance (Rct), which indicated that the PVB/HNH/PMHS had the best anti‐corrosion ability. The long‐term immersion test was processed in 3.5 wt.% NaCl solution at room temperature, which referred that the substrate was protected by PVB/HNH/PMHS coating more than 176 days. This work provides an ideal way of using hydrazide compounds to prevent metal corrosion.
Recent Advances of Poly(lactic‐co‐glycolic acid)‐Based Nanoparticles for Tumor‐Targeted Drug Delivery
Authors: Jiang Linye , Luo Jie , Hong Dawei , Guo Shuhong , Wang Shuyi , Zhou Bizhong , Zhou Shiyu , Ge Jingyan 
Published: January 2022

AbstractPoly(lactic‐co‐glycolic acid) (PLGA) is an FDA‐approved polymer for its biocompatibility and biodegradability. PLGA‐based nanoparticles (NPs) are well recognized as promising candidates for drug delivery. However, the lack of selectivity to cancer cells limits the clinical application of PLGA‐based NPs. In recent years, a number of studies were focused on tackling this limitation and showed great potential in improving the anticancer efficacy. Herein, we summarize passive tumor‐targeting strategies through the EPR effect and active tumor‐targeting strategies through ligand modifications based on PLGA NPs for tumor‐targeted drug delivery. Finally, new challenges and possible opportunities for further research are also discussed.
Potential Anti‐hyperuricemic Agents from Proanthocyanidins, Procyanidins, and Benzophenone Glucosides via In Silico Docking Analysis Verified with In Vitro Bioassay
Authors: Ho Sheau Ling , Lin Yi li , Tsai Sheng Fa , Lee Shoei‐Sheng 
Published: January 2022

AbstractIn a continuation of searching natural xanthine oxidase inhibitors as anti‐hyperuricemic agent, in silico virtual screening of epicatechin (1) and A‐type proanthocyanidins 2–8, isolated from Machilus philippinensis , by molecular docking was undertaken and subsequent in vitro assay was followed. The bioassay result correlated well with the docking score. Additional A‐type proanthocyanidins 9–16 and procyanidins 17 & 18, present in peanut skin, were isolated and assayed against XO. Although their inhibitory activities were low but correlated well with the docking scores, too. This study indicated in silico virtual docking to be applicable to predict the XO inhibitory activity for proanthocyanidins with the molecular weight ranging from dimers (MW∼550) to hexamers (MW∼1750). For verifying such virtual screening to other phenolics, this approach was extended to benzophenone glucosides 19–22, isolated from Planchonella obovata . Likewise their inhibitory activities against XO correlated well with the docking score. Of these 22 compounds, the tetramer 5, pentamer 7, hexamer 8, and the digalloylated 22, having the docking score around −25.5 Kcal/mol, showed comparable inhibitory activity against xanthine oxidase to allopurinol (IC50∼40.0 vs. 58.5 μM). Further application of such virtual screening on XO template will keep going for searching potential anti‐hyperuricemic drugs.
Esters as Both Alkylating and Acylating Reagents: PCl3‐Promoted Friedel‐Crafts Reaction in One‐Pot
Authors: Guo Fengzhe , Xiao Jing , Deng Jinfeng , Li Fangshao , Tang Zi‐Long 
Published: January 2022

AbstractAn efficient PCl3‐promoted Friedel‐Crafts reaction using esters as both alkylating and acylating reagents has been developed. By using a PCl3/I2 combination, various esters underwent Friedel‐Crafts alkylation and acylation reactions with arenes in one‐pot, readily producing two kinds of products aromatic ketones and alkyl aromatics by one step in good yields. The Friedel‐Crafts alkylation and acylation of arene with 4‐formylbenzoate derivatives in one‐pot have also been achieved. This novel strategy features high step economy, low‐cost, metal‐free and simple reaction conditions.
Mechanism of Ligand‐Controlled Chemoselectivity‐Switchable Ni‐Catalyzed C−N Cross‐Coupling of Amine
Authors: Zhang Bo , Deng Wei , Xu Zheng‐Yang 
Published: January 2022

AbstractNi‐catalyzed C−N cross‐coupling of 5‐aminoindole and 2‐chloroquinoline provides a ligand‐controlled chemoselectivity‐switchable method for construction of arylamines. In this study, we employed density functional theory methods to elucidate the mechanistic details of this reaction and the origin of different chemoselectivity induced by Phen‐DalPhos and PAd2‐DalPhos. The calculation indicating that the catalytic cycle mainly proceeds through the oxidative addition of 2‐chloroquinoline, anion exchange with 5‐aminoindole and C−N reductive elimination. Meanwhile, the turnover‐limiting step is the reductive elimination of C−N bond. The intrinsic electric property of 5‐aminoindole (Phen‐DalPhos) control the chemoselectivity, leading to the preference of (hetero)aniline cross‐coupling. In addition, the stronger electron‐withdrawing ligand PAd2‐DalPhos, leading to the preference of indole N‐arylation
Nano‐magnetic Copper Complexes as Double‐Edged Sword against MCF‐7 Breast Cancer Cells
Authors: Gajare Shivanand P. , Bansode Prakash A. , Patil Pradnya V. , Aalhusaini Taha N. A. , Chavan Sanjay S. , Pore Dattaprasad M. , Chhowala Tarulata N. , Khot Vishwajeet M. , Rashinkar Gajanan S. 
Published: January 2022

AbstractA multi‐step synthesis and characterization of nano‐magnetic copper complexes [Nano‐magnetite‐Lys@Cu(PPh3)I] and [Nano‐magnetite‐Arg@Cu(PPh3)I] with size of ∼ 12 nm and∼15 nm is reported. Complexes displayed significant anti‐cancer activity against MCF‐7 breast cancer cells with IC50 of 104.38 μg/mL and 95.81 μg/mL respectively as compared to the standard drug cis‐platin (IC50=88.91 μg/mL). The hyperthermia studies of both the complexes revealed remarkable specific absorption rate (SAR) values of 36.83‐85.81 W/g and 97.67‐125.58 W/g with therapeutic temperature of 48 °C and 43 °C respectively. The studies revealed that both the complexes can act as a double edged sword in anti‐breast cancer therapy through combined effect of hyperthermia and chemotherapy.
Synthesis of Monophosphaferrocenes Revisited
Authors: Masaoka Kakeru , Ohkubo Manami , Taue Haruka , Wakioka Masayuki , Ohki Yasuhiro , Ogasawara Masamichi 
Published: January 2022

AbstractThe method of preparing monophosphaferrocenes originally reported by Roberts and Wells, which requires two equivalents of [(mesitylene)FeCp]PF6 (A), was reinvestigated. By the use of inexpensive aluminum chloride as a phenyllithium scavenger, a 50 % reduction of required A could be attained. Diverse monophosphaferrocene derivatives having aliphatic C‐substituents, including four new compounds, were prepared in good yields from the corresponding P‐phenylphospholes, A (1 equiv.), and aluminum chloride (1/3 equiv.) under the modified conditions. These modified conditions showed comparable to better yields of monophosphaferrocenes and the far better atom‐economy compared to the original conditions.
Designing and testing systems of systems: From variability models to test cases passing through desirability assessment
Authors: Lonetti Francesca , de Oliveira Neves Vânia , Bertolino Antonia 
Published: January 2022

AbstractIn the early stages of a system of systems (SoS) conception, several constituent systems could be available that provide similar functionalities. An SoS design methodology should provide adequate means to model variability in order to support the opportunistic selection of the most desirable SoS configuration. We propose the VANTESS approach that (i) supports SoS modeling taking into account the variation points implied by the considered constituent systems; (ii) includes a heuristics to weight benefits and costs of potential architectural choices (called as SoS variants) for the selection of the constituent systems; and finally (iii) also helps test planning for the selected SoS variant by deriving a simulation model on which test objectives and scenarios can be devised. We illustrate an application example of VANTESS to the “educational” SoS and discuss its pros and cons within a focus group.
Effect of heat stress on ileal microbial community of indigenous yellow‐feather broilers based on 16S rRNA gene sequencing
Authors: Jin Yong‐Yan , Guo Yan , Zheng Chun‐Tian , Liu Wen‐Chao 
Published: January 2022

AbstractObjectivesThe broiler chickens are susceptible to heat stress (HS), including the indigenous broilers raised in tropical and subtropical regions. HS caused intestinal dysfunction and disrupted the gut microbiota. However, the researches about the effects of HS on ileal microbiome of indigenous broilers are limited. Therefore, this experiment used 16S rRNA sequencing to analyse the ileal microbial community in indigenous yellow‐feather broilers under HS.Material and methodsThe single factor completely random design was used in the present study, and forty 8‐week‐old Chinese indigenous yellow‐feather broilers (Huaixiang chickens) were randomly divided into two treatments: normal temperature (NT) group and HS group. There are five replications with four broilers per replicate in each group. The broilers in NT group were raised at 21.3 ± 1.2°C during the whole experimental period, the broilers in HS group were exposed to 32.5 ± 1.4°C for 8 h/day from 9:00 am to 17:00 pm and the temperature of rest time is consistent with NT group. The experiment lasted for 4 weeks.ResultsThe results showed that HS exposure had no significant effects on the alpha diversity index of ileal microflora of broilers, including the Shannon, Simpson, Chao1 and ACE indexes (p > 0.05). At the genus level, HS significantly reduced the relative abundance of Campylobacter (p < 0.05), and increased the abundance of Delftia (p < 0.05). In addition, prediction of microbial community function indicated that HS significantly enhanced the abundance of the microflora related to lipid metabolism, carbohydrate metabolism and xenobiotics biodegradation and metabolism and reduced the abundance of the microflora related to nucleotide metabolism and amino acid metabolism.ConclusionsTaken together, the present study revealed that chronic HS (4 weeks) exposure changes the abundance of the ileal microflora of broilers. These findings provided new insights into the role of HS in influencing ileal microbial community in indigenous broilers.
Dark archives or a dark age for reasoning over archives?
Authors: Bell Mark , Bunn Jenny 
Published: January 2022

AbstractThis article considers that reasoning over archives is a joint enterprise between archivists and researchers and that both groups are increasingly using machine agents to assist them in it. It starts by considering the processing of archivists, researchers and machine agents separately. Using the different perspectives this brings to highlight different aspects of that processing, as a process of sense-making, as scholarly research activity, as practices that realise and achieve data for the drawing of further inference, it reasserts the argument that archives cannot be regarded as raw data to be reasoned over, but must be seen as the result of multiple representative and interpretive acts, of iterative realisation and activation as ‘data’ potentially involving many, many additional actors. It then goes on to consider how the involvement of machine agents fits into and potentially alters this picture by providing more detail about the basis on which they currently perform such acts.
Heat Control simulation for variothermal injection moulding moulds using infrared radiation
Authors: Berlin Werner , Reichel Vicky , Hürkamp André , Dröder Klaus 
Published: January 2022

AbstractMould temperature control has a significant influence on component quality and costs in the plastic injection moulding process. In the case of standard applications isothermal temperature control, in which the mould temperature is maintained at one level, is sufficient. For special applications (e.g. plastic optics; long, thin components; moulding of microstructures) variothermal temperature control using cyclically changing temperatures is beneficial. Therefore, the use of infrared radiators offers advantages in terms of achievable temperatures and investment costs but at low heating rates and efficiency. This paper therefore investigates the possibility of increasing the efficiency of energy input by infrared radiation into metals in particular into aluminium. For this purpose, a simulation model is developed. The numeric models used are validated by means of experiments. A short-wave infrared radiator is investigated, consisting of a tungsten filament in a quartz glass tube. The emitter power is varied from 1200 to 400 W. An aluminium sample with a thickness of 10 mm and a square base with an edge length of 60 mm is investigated. The temperature is measured on the non-irradiated side in the centre of the sample surface and at a distance of 20 mm from it while being irradiated. For the numerical model, a ray tracing simulation is carried out in a first step, the result of which is used as a Neumann boundary condition for a thermal simulation in second step. The model created can serve as a basis for the thermal design of more complex geometries.
“Real-World Study of a Dual-Layer Micromesh Stent in Elective Treatment of Symptomatic and Asymptomatic Carotid Artery Stenosis (ROADSAVER)”
Authors: Kedev Sasko , Müller-Hülsbeck Stefan , Langhoff Ralf 
Published: January 2022

Abstract
Purpose
Endovascular carotid artery stenosis treatment is associated with a higher peri- and early post-procedural stroke risk relative to surgery. Dual-layer micromesh carotid stents were specifically designed for improved plaque coverage to reduce the cerebral embolization risk and related ischemic events. ROADSAVER study aims to further confirm the safety and efficacy of the Roadsaver™ dual-layer micromesh stent for the treatment of elective patients with carotid artery stenosis.

Materials and Methods
ROADSAVER is a prospective, multi-center, observational study. Between January 2018 and February 2021, a total of 1967 patients featuring asymptomatic or symptomatic, non-occlusive and non-thrombotic carotid stenosis eligible for an elective stenting procedure were enrolled across 13 European countries (52 centers). Follow-up visits are scheduled at 30 days and at 12 months. The primary outcome measure is the major adverse event rate, i.e., cumulative incidence of any death or stroke up to 30 days post-procedure. All deaths, strokes and carotid revascularizations are adjudicated by an independent Clinical Events Committee. Sub-analyses are prespecified and focused on baseline patient characteristics (e.g., age, neurologic status), procedural features (e.g., access route, embolic protection use), advanced imaging, and treatment efficacy up to 12 months.

Conclusion
The present study evaluates the Roadsaver™ dual-layer micromesh carotid stent in the real-world clinical practice aiming to provide valuable insights into the contemporary European treatment trends and outcomes of elective carotid artery stenting. The large study population and predefined sub-analyses should help identify the best practices and patient subsets to benefit most from the treatment.

Trial Registration

Clinicaltrial.gov identifier: NCT03504228.
The contribution of sleep to the neuroendocrine regulation of rhythms in human leukocyte traffic
Authors: Lange Tanja , Luebber Finn , Grasshoff Hanna , Besedovsky Luciana 
Published: January 2022

AbstractTwenty-four-hour rhythms in immune parameters and functions are robustly observed phenomena in biomedicine. Here, we summarize the important role of sleep and associated parameters on the neuroendocrine regulation of rhythmic immune cell traffic to different compartments, with a focus on human leukocyte subsets. Blood counts of “stress leukocytes” such as neutrophils, natural killer cells, and highly differentiated cytotoxic T cells present a rhythm with a daytime peak. It is mediated by morning increases in epinephrine, leading to a mobilization of these cells out of the marginal pool into the circulation following a fast, beta2-adrenoceptor-dependent inhibition of adhesive integrin signaling. In contrast, other subsets such as eosinophils and less differentiated T cells are redirected out of the circulation during daytime. This is mediated by stimulation of the glucocorticoid receptor following morning increases in cortisol, which promotes CXCR4-driven leukocyte traffic, presumably to the bone marrow. Hence, these cells show highest numbers in blood at night when cortisol levels are lowest. Sleep adds to these rhythms by actively suppressing epinephrine and cortisol levels. In addition, sleep increases levels of immunosupportive mediators, such as aldosterone and growth hormone, which are assumed to promote T-cell homing to lymph nodes, thus facilitating the initiation of adaptive immune responses during sleep. Taken together, sleep–wake behavior with its unique neuroendocrine changes regulates human leukocyte traffic with overall immunosupportive effects during nocturnal sleep. In contrast, integrin de-activation and redistribution of certain leukocytes to the bone marrow during daytime activity presumably serves immune regulation and homeostasis.