bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Biological Evaluation of Flavonoid‐Cinnamic Acid Amide Hybrids with Distinct Activity against Neurodegeneration in Vitro and in Vivo
Authors: Hofmann Julian , Spatz Philipp , Walther Rasmus , Gutmann Marcus , Maurice Tangui , Decker Michael 
Published: May 2022

AbstractFlavonoids are polyphenolic natural products and have shown significant potential as disease‐modifying agents against neurodegenerative disorders like Alzheimer's disease (AD), with activities even in vivo. Hybridization of the natural products taxifolin and silibinin with cinnamic acid led to an overadditive effect of these compounds in several phenotypic screening assays related to neurodegeneration and AD. Therefore, we have exchanged the flavonoid part of the hybrids with different flavonoids, which show higher efficacy than taxifolin or silibinin, to improve the activity of the respective hybrids. Chemical connection between the flavonoid and cinnamic acid was realized by an amide instead of a labile ester bond to improve stability towards hydrolysis. To investigate the influence of a double bond at the C‐ring of the flavonoid, the dehydro analogues of the respective hybrids were also synthesized. All compounds obtained show neuroprotection against oxytosis, ferroptosis and ATP‐depletion, respectively, in the murine hippocampal cell line HT22. Interestingly, the taxifolin and the quercetin derivatives are the most active compounds, whereby the quercetin derivate shows even more pronounced activity than the taxifolin one in all assays applied. As aimed for, no hydrolysis product was found in cellular uptake experiments after 4 h whereas different metabolites were detected. Furthermore, the quercetin‐cinnamic acid amide showed pronounced activity in an in vivo AD mouse model at a remarkably low dose of 0.3 mg/kg.
Improvement of Visible‐Light H2 Evolution Activity of Pb2Ti2O5.4F1.2 Photocatalyst by Coloading of Rh and Pd Cocatalysts
Authors: Aihara Kenta , Kato Kosaku , Uchiyama Tomoki , Yasuda Shuhei , Yokoi Toshiyuki , Yamakata Akira , Uchimoto Yoshiharu , Maeda Kazuhiko 
Published: May 2022

AbstractPb2Ti2O5.4F1.2 modified with various metal cocatalysts was studied as a photocatalyst for visible‐light H2 evolution. Although unmodified Pb2Ti2O5.4F1.2 showed negligible activity, modification of its surface with Rh led to the best observed promotional effect among the Pb2Ti2O5.4F1.2 samples modified with a single metal cocatalyst. The H2 evolution activity was further enhanced by coloading with Pd; the Rh−Pd/Pb2Ti2O5.4F1.2 photocatalyst showed 3.2 times greater activity than the previously reported Pt/Pb2Ti2O5.4F1.2. X‐ray absorption fine‐structure spectroscopy, photoelectrochemical, and transient absorption spectroscopy measurements indicated that the coloaded Rh and Pd species, which were partially alloyed on the Pb2Ti2O5.4F1.2 surface, improved the electron‐capturing ability, thereby explaining the high activity of the coloaded Rh−Pd/Pb2Ti2O5.4F1.2 catalyst toward H2 evolution.
Likelihood identifiability and parameter estimation with nonignorable missing data
Authors: Zheng Siming , Zhang Juan , Zhou Yong 
Published: May 2022

AbstractWe identify sufficient conditions to resolve the identification problem under nonignorable missingness, especially the identifiability of the observed likelihood when some of the covariate values are missing not at random, or, simultaneously, the response is also missing not at random. It is more difficult to tackle these cases than the nonignorable nonresponse case, and, to the best of our knowledge, the simultaneously missing case has never been discussed before. Under these conditions, we propose some parameter estimation methods. As an illustration, when some of the covariate values are missing not at random, we adopt a semiparametric logistic model with a tilting parameter to model the missingness mechanism and use an imputed estimating equation based on the generalized method of moments to estimate the parameters of interest and the tilting parameter simultaneously. This approach avoids the requirement for other independent surveys or a validation sample to estimate the unknown tilting parameter. The asymptotic properties of our proposed estimators are derived, and the proofs can be modified to show that our methods of estimation, which are based on inverse probability weighting, augmented inverse probability weighting, and estimating equation projection, have the same asymptotic efficiency when the tilting parameter is either known or unknown but estimated by some other method. In simulation studies, we compare our methods with various alternative approaches and find that our methods are more robust and effective.
Influence of Ion Specificity and Concentration on the Conformational Transition of Intrinsically Disordered Sheep Prion Peptide
Authors: Singh Omkar , Kumar Das Bratin , Chakraborty Debashree 
Published: May 2022

AbstractThe structural sensitivity of the intrinsically disordered proteins with the ions has been observed experimentally; however, it is still unclear how the presence of different metal ions affects structural stability. We performed an atomistic molecular dynamics simulation of sheep prion peptide (142–167) in presence of different monovalent, divalent ions at various concentrations to find out the effect of the size, charge, and ionic concentration on the structure of the peptide. It is found that Li+ ions have a higher survival probability compared to Na+, K+, and Mg2+ affecting the solvation structure of the protein leading to the alpha‐helix structure. At high concentration, due to the increase in the ion‐solvent and counter‐ion interactions, the effect of the ions is screened on the surface of the protein and hence no ion specificity is observed. This study demonstrates how ions can be used to regulate the protein structure and function that can help in designing drugs.
Effect of Chalcogen Incorporation and Rigidification on the Photovoltaic Properties of Simple Arylamine‐Based D‐π‐A Push–Pull Molecular Systems
Authors: Hossein Habibi Amir , Josse Pierre , Marqués Pablo Simón , Blanchard Philippe , Cabanetos Clément 
Published: May 2022

AbstractFour D‐π‐A push–pull derivatives either based on a diphenylmethylamine or a 9‐methylcarbazole electron‐rich block (D), connected to a dicyanovinyl accepting moiety (A) through two different spacers (π), namely a thiophene or selenophene, were synthesized and characterized. These small and synthetically accessible molecules were indeed selected to rationalize the impact of both i) the rigidification of the arylamine part and ii) the nature of the π‐spacer constituting heteroatom on the optical, electrochemical, charge transport and therefore photovoltaic properties.
Increased amphiregulin expression by CD4+ T cells from individuals with asymptomatic Leishmania donovani infection
Authors: Singh Siddharth Sankar , Chauhan Shashi Bhushan , Ng Susanna SS , Corvino Dillon , de Labastida Rivera Fabian , Engel Jessica A , Waddell Nic , Mukhopadhay Pamela , Johnston Rebecca L , Koufariotis Lambros T , Nylen Susanne , Prakash Singh Om , Engwerda Christian R , Kumar Rajiv , Sundar Shyam 
Published: May 2022

AbstractObjectivesThere is an urgent need to be able to identify individuals with asymptomatic Leishmania donovani infection, so their risk of progressing to VL and transmitting parasites can be managed. This study examined transcriptional markers expressed by CD4+ T cells that could distinguish asymptomatic individuals from endemic controls and visceral leishmaniasis (VL) patients.MethodsCD4+ T cells were isolated from individuals with asymptomatic L. donovani infection, endemic controls and VL patients. RNA was extracted and RNAseq employed to identify differentially expressed genes. The expression of one gene and its protein product during asymptomatic infection were evaluated.ResultsAmphiregulin (AREG) was identified as a distinguishing gene product in CD4+ T cells from individuals with asymptomatic L. donovani infection, compared to VL patients and healthy endemic control individuals. AREG levels in plasma and antigen‐stimulated whole‐blood assay cell culture supernatants were significantly elevated in asymptomatic individuals, compared to endemic controls and VL patients. Regulatory T (Treg) cells were identified as an important source of AREG amongst CD4+ T‐cell subsets in asymptomatic individuals.ConclusionIncreased Treg cell AREG expression was identified in individuals with asymptomatic L. donovani infection, suggesting the presence of an ongoing inflammatory response in these individuals required for controlling infection and that AREG may play an important role in preventing inflammation‐induced tissue damage and subsequent disease in asymptomatic individuals.
Accounting for the genetic load in assisted reproductive technology
Authors: van Oosterhout Cock , Marcu Daniel , Immler Simone 
Published: May 2022

AbstractThe genetic load in the human genome has important ramifications for assisted reproductive technology (ART), human reproduction and fertility more generally. Here, we discuss these topics in the light of evolutionary genetic theory, the technological revolution in ART and the advances in the fields of genomics and bioinformatics.
Planning bus networks by exploiting GPS trajectories collected by IoT‐enabled vehicles
Authors: Zhang Xiaomei , Chen Peng , Tang Liangyao , Xia Yunni , Li Jianqi , Jiang Ning , Xie Hong , Xia Qing , Wu Lei 
Published: May 2022

SummaryGPS traces collected by IoT‐enabled vehicle sensors are highly informative and exploitable in the area of human mobility analysis and traffic control. In this work, we focus on generating effective bus routes and networks by analyzing and exploiting the Taxi GPS trajectories. Specifically, we develop a novel framework for yielding potential bus stations by analyzing passenger boarding and getting spots collected by IoT‐enabled vehicle sensors, a novel ant‐colony‐based heuristic for generating serving routes and further for yielding the bus network. For the model validation purpose, we perform extensive simulations upon a dataset of metropolitan traveling traces and illustrate that our approach definitely beats state‐of‐the‐art ones in terms of the number of people served.
Comparison between D‐dimer levels in diabetic and non‐diabetic positive COVID‐19 adult patients: A hospital‐based study
Authors: Hashim Ibrahim Elbashir Ibrahim , Kamal Ali Mohamed Hala , Adam Essa Mohammed Elmujtba , Seri Ahmed 
Published: May 2022

AbstractBackgroundDiabetes is one of the most common associated comorbidity with severe acute respiratory syndrome coronavirus (SARS‐CoV‐2) pneumonia patients.Coagulation disorders with D‐dimer levels are increased in both diseases. This study aimed to compare the levels of D‐dimer in DM and non‐DM patients with coronavirus disease (COVID‐19) and correlate it with the disease severity.MethodsThis is a cross‐sectional hospital‐based study. It was conducted at royal care hospital, isolation COVID‐19 Centre in 2021. The study included 130 patients with COVID‐19 who fulfilled the inclusion criteria. Data were collected through a structured datasheet. The disease was diagnosed by a nasal swab polymerase chain reaction (PCR) Participants were divided into diabetics and non‐diabetics depending on the history from the datasheet. The data were analysed with Statistical Package of Social Science (SPSS) version 23.ResultsThe study showed that 73.1% of the participants were males and 26.9% were females. The most frequent age group was >65 years. The percentages of diabetics and non‐diabetics, among the study participants, were found to be 41.5% and 58.5%, respectively. Moreover, 52.3% were admitted to the intensive care unit (ICU). This study revealed that D‐dimer was higher compared with diabetes mellitus. The diabetics were associated with higher levels of D‐dimer compared to non‐diabetics. Regarding the correlation between the level of D‐dimer and severity of COVID‐19, it was found that there is a significant association, as the ICU patients were associated with higher levels of D‐dimer in comparison with non‐ICU patients.ConclusionThis study concluded that there is a significant association between the high D‐dimer level and severity of COVID‐19 among diabetic patients.
Redox Non‐Innocence of ortho‐Benzoquinone Dioximate Dianion in Ligand Exchange on Ruthenium
Authors: Harada Takuya , Ando Shinji , Kuwata Shigeki 
Published: May 2022

AbstractA ruthenium complex bearing an o‐benzoquinone dioximate dianion was isolated, and its ligand‐based redox chemistry was clarified. The reaction of [Cp*RuCl2(NO)] (Cp*=η5‐C5Me5) with o‐benzoquinone dioxime (LredH2) in the presence of a base afforded a dioximato ruthenium complex [Cp*Ru(NO)(Lred)] (1). Upon treatment with an iodonium salt, 1 underwent two‐electron oxidation of Lred along with ligand exchange to give the o‐dinitrosobenzene (Lox) iodido complex [Cp*RuI(Lox)] (2). 1H NMR, IR, X‐ray analyses, and DFT calculations revealed that the Lred ligand in 1 was oxidized and aromatized during the ligand substitution. The Lox ligand in 2 was reduced by benzensulfohydroxamic acid with the aid of a base, leading to regeneration of the Lred nitrosyl complex 1. The non‐innocence of Lred/ox in the ligand exchange would lead to level the energy profile of redox processes including catalysis.
Synthesis of Immucillins BCX‐1777 and BCX‐4430 from a Common Precursor
Authors: Krishnakumar K. A. , Lankalapalli Ravi S. 
Published: May 2022

AbstractA convergent route for the synthesis of BCX‐1777 and BCX‐4430 from a Boc‐protected 2‐pyrrolidinone, derived from 2,3,5‐tri‐O‐benzyl‐d‐ribonolactone, and a dihalogenated pyrrolopyrimidine as the key starting materials is reported. A chemoselective cross‐coupling was achieved from the two key starting materials in 79 % yield. Luche reduction and mesylation resulted in the stereoselective formation of an advanced intermediate in 77 % yield over two steps, which served as a precursor for synthesizing BCX‐1777 and BCX‐4430 in 38 % (over 10 steps) and 32 % (over 11 steps) overall yields, respectively, from 2,3,5‐tri‐O‐benzyl‐d‐ribonolactone.
Parametric studies on solidification of phase change material inside a cylindrical container toward achieving optimal energy efficiency
Authors: Raj Kaiwalya , Vellaichamy Pandiyarajan , Ramalingam Velraj , Chaturvedi Meenakshi 
Published: May 2022

AbstractFifty percentage of the energy consumption inside any building is utilized for space cooling purposes. Energy storage through phase change material (PCM) is a viable option to fulfill the cooling energy requirements. The PCM is usually stored inside multiple containers/packets. However, the PCM's low thermal conductivity is a fundamental problem that delays the solidification time and can be accelerated through the nanoparticle addition and higher heat transfer fluid (HTF) flow rate. The recent advancement in nanoparticles opens an opportunity to enhance the heat transfer characteristics of the PCM. Therefore, a detailed parametric analysis is carried out for the PCM inside a cylindrical container to analyze the impact of thermal conductivity (“k”) enhancement through nanoparticle addition and the external surface heat transfer coefficient (“h”) on the solidification time reduction of the Water and RT21 PCM. It is concluded from the results that while utilizing gaseous HTF, it is better to increase the surface “h” rather than increasing the “k” of the PCM. On the other hand, for liquid HTF, “k” value played a significant role in solidification time reduction than increasing the “h” value. A considerate amount of solidification time reduction is possible through nanoenhanced RT21 and water PCM. This study will help the researchers/engineers design an energy efficient storage material toward achieving sustainability.
Acute Toxicity of Major Geochemical Ions to Fathead Minnows (Pimephales Promelas): Part A—Observed Relationships for Individual Salts and Salt Mixtures
Authors: Erickson Russell J. , Mount David R. , Highland Terry L. , Hockett J. Russell , Hoff Dale J. , Jenson Correne T. , Norberg-King Teresa J. , Forsman Brandy 
Published: May 2022

Abstract
The results of a series of experiments on the acute toxicity of major geochemical ions (Na+, K+, Ca2+, Mg2+, Cl−, SO42−, HCO3−/CO32−) to fathead minnows (Pimephales promelas) are reported. Tests of individual major ion salts in various dilution waters demonstrated that the toxicities of Na, Mg, and K salts decrease as the overall ion content of the dilution water increases. For Na and Mg salts, this is attributable to Ca content as previously reported for Ceriodaphnia dubia. For K salts, the cause is unclear, but it is not due to Na as reported for C. dubia. In an unregulated test at high pH (9.3), NaHCO3 was also found to be twice as toxic compared to when the pH was reduced to 8.4. Experiments with binary salt mixtures indicated the existence of multiple independent mechanisms of action. These include K-specific toxicity and Ca/Mg-specific toxicity previously reported for C. dubia, but also apparent toxicities related to SO4 and to high pH/alkalinity in CO3/HCO3-dominated exposures. Previous work with C. dubia also suggested a general ion toxicity involving all ions that was correlated with osmolarity. For fathead minnow, similar correlations were observed, but multiple mechanisms were indicated. At higher Ca, this general toxicity could be attributable to osmotic effects, but at lower Ca, osmolarity may be more a covariate than a cause, with this toxicity being related to a combined effect of ions other than via osmolarity. Environ Toxicol Chem 2022;41:2078–2094. © 2022 SETAC. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
Exposure to Contaminated River Water is Associated with Early Hatching and Dysregulation of Gene Expression in Early Life Stages of the Endangered Copper Redhorse (Moxostoma hubbsi)
Authors: Marchand H. , Barst B. D. , Boulanger E. , Vachon N. , Houde M. , Xia J. , Liu P. , Ewald J. D. , Bayen S. , Liu L. , Head J. A. 
Published: May 2022

Abstract
The copper redhorse (Moxostoma hubbsi) is an endangered fish that spawns exclusively in the Richelieu River (Quebec, Canada). Tributaries of the Richelieu are contaminated with high levels of current-use pesticides, which may impact early–life stage (ELS) copper redhorse and other native fishes. We assessed the effects of exposure to contaminated river water on ELS copper redhorse and river redhorse (Moxostoma carinatum), a related fish that shares the copper redhorse's spawning grounds and nursery habitat. A riverside flow-through system was used to expose copper and river redhorse embryos (1000 each) to Richelieu River water or laboratory water as a control. Fish were maintained until 14 days posthatch, and water samples were taken daily for chemical analysis. Following a heavy rain event, concentrations of two neonicotinoid pesticides, clothianidin and thiamethoxam, exceeded water quality guidelines for aquatic life (20 ng/L). Using nontargeted screening, we tentatively identified an additional 24 pharmaceutical and personal care products and 23 pesticides in river water. Effects of river water on ELS fish were observed in both species, but the copper redhorse appeared to be more sensitive. Fish exposed to river water hatched 10.7 (copper redhorse) and 2.4 (river redhorse) cumulative degree days earlier than controls. Copper redhorse survival was significantly lower in river water (73 ± 16%) compared to laboratory water (93 ± 3%), whereas river redhorse survival was similar between treatments (84 ± 6% and 89 ± 4%, respectively). Sequencing of copper redhorse larvae RNA revealed 18 differentially expressed genes (DEGs) following 14 days of exposure to river water. Eight up-regulated DEGs were linked to immune function and injury response, and seven down-regulated DEGs were involved with digestion and nutrient absorption. The present study provided valuable data on the effects of ELS exposure to a real-world mixture of contaminants in two fish species of concern. Environ Toxicol Chem 2022;41:1950–1966. © 2022 SETAC
Environmental Hazard of Anticancer Drugs: State of the Art and Future Perspective for Marine Organisms
Authors: Ribeiro Fabianne , Costa-Lotufo Leticia , Loureiro Susana , Pavlaki Maria D. 
Published: May 2022

Abstract
Pharmaceutical compounds represent a class of emerging contaminants present in the environment. Their intense (and increasing) use in human and veterinary medicine leads to their discharge, mainly via human excretion, into wastewater treatment plants where their removal is inefficient. A specific class of pharmaceuticals used to fight cancer, known as antineoplastic or anticancer drugs, has gained increased attention regarding their possible environmental hazard due to their pharmacological properties, which include the nonselective targeting of DNA replication mechanisms and cell division processes, potentially inducing cell apoptosis. To date, there is limited information concerning the effects of anticancer drugs and/or their metabolites in species inhabiting freshwater environments, let alone marine and estuarine compartments. In the present review, we aimed to assemble information regarding the impact that anticancer drugs have on biological traits of marine species, to identify gaps in the current environmental hazard assessment, and to make recommendations to promote an efficient environmental hazard assessment of anticancer drugs in the marine environment. Environ Toxicol Chem 2022;41:1793–1807. © 2022 SETAC
Welcoming Migration Stories and Silence in the English Classroom
Authors: Kelly Laura Beth , Ascuitto Susana 
Published: May 2022

AbstractThis discussion describes a collaboration between a high school for recently arrived immigrant and refugee youth and a local college. Across 6 weeks, college tutors read a wordless graphic novel, The Arrival (Tan, 2007), with newcomer students to support oral English language development, to develop interpretations, and to invite personal connections. This discussion addresses tensions and lessons learned from welcoming newcomer students to share sensitive personal stories, such as their migration stories, in English classes.