bluuebunny/crossref_metadata_2025_split huggingface dataset:
Red‐to‐NIR Iridium(III) Emitters: Synthesis, Photophysical and Computational Study, the Effects of Cyclometallating and β‐Diketonate Ligands
Authors: Kuznetsov Kirill M. , Kritchenkov Ilya S. , Shakirova Julia R. , Gurzhiy Vladislav V. , Pavlovskiy Vladimir V. , Porsev Vitaly V. , Sokolov Viktor V. , Tunik Sergey P. 
Published: May 2021

AbstractIn this work nine novel heteroleptic Ir(III) complexes of general formulae [Ir(
#)2(
#)] containing four different cyclometallating and four β‐diketonate ligands were synthesized and fully characterized. Six of them display phosphorescence in the deep red and NIR regions with quantum yields reaching 24.6 % in degassed solution for one of the NIR emitters. Variation in the nature of orthometalating ligands results in dramatic changes in photophysical behavior: the compounds containing 2‐phenylpyridine (
1) and 2‐(benzo[b]thiophen‐2‐yl)pyridine (
2) ligands give non‐emissive complexes, whereas those with methyl 2‐phenylquinoline‐4‐carboxylate (
3) and 6‐(benzo[b]thiophen‐2‐yl)phenanthridine) (
4) are luminescent, but display different character of electronic transitions responsible for absorption and emission. Complexes with the
3 ligand luminesce from 3LC excited state and do not change their emission characteristics upon variations in the nature of β‐diketonates. On the contrary, the compounds based on the
4 cyclometalating ligand emit from the excited state with considerable contribution of 3MLCT character and show systematic bathochromic shift of absorption and emission bands upon increase in electron donicity of
# ligands. This conclusion was supported by DFT and TD‐DFT calculations and by the analysis of correlations between the 13C chemical shift of the diketonate C(H) carbon and emission maxima of the compounds under study.
Synthesis of New Heteroleptic Indium Complexes as Potential Precursors for Indium Oxide Thin Films
Authors: Yoo Dagyum , Han Seong Ho , Lee Sung Kwang , Eom Taeyong , Park Bo Keun , Kim Chang Gyoun , Son Seung Uk , Chung Taek‐Mo 
Published: May 2021

AbstractNew heteroleptic indium complexes, i. e., [MeIn(mdpa)(tmhd)]2 (2), [MeIn(mdpa)(acac)]2 (3), [MeIn(edpa)(tmhd)]2 (4), and [MeIn(edpa)(acac)]2 (5), with three different ligands, bearing N‐alkoxy carboxamide and β‐diketonate were designed and synthesized as indium precursors for indium oxide thin films by atomic layer deposition (ALD) using [Me2In(edpa)]2 and [Me2In(mdpa)]2 (1) as starting materials. The resulting complexes were characterized by NMR and FT‐IR spectroscopy, elemental analysis (EA), thermogravimetric analysis (TGA), and single crystal X‐ray diffraction. TGA curves of all the complexes showed clear single‐step weight losses, with low residual masses of 7–13 %. Among them, complex 5 was volatile and thermally stable, and thus, it can be used as potential indium precursor for indium oxide‐based thin films.
Regioisomers of Organic Semiconducting Dumbbell‐Shaped Molecules: Synthesis and Structure‐Properties Relationship
Authors: Mahmoudi Chaima , Bulut Ibrahim , Jing Jiang , Fall Sadiara , Heinrich Benoît , Méry Stéphane , Heiser Thomas , Lévêque Patrick , Steveler Emilie , Majdoub Mustapha , Leclerc Nicolas 
Published: May 2021

AbstractTwo new dumbbell‐shaped molecules based on two solubilizing and structuring triazatruxene (TAT) units linked by a central chromophore were synthesized and studied. The central chromophore was an electro‐deficient fluorene‐malononitrile (FM) unit, that can be functionalized symmetrically on two different positions, giving rise to two positional isomers, called TAT‐pFM and TAT‐mFM, when the TATs are connected to the 2,7‐ and 3,6‐positions, respectively. The two isomers exhibited different electronic conjugation pathways that drastically affect their absorption properties and energy levels. Moreover, while TAT‐pFM was organized in a stable 3D mesomorphic structure from room‐temperature to the melting point, TAT‐mFM remained crystalline and decomposed before melting. Finally, despite a lower hole mobility, the TAT‐mFM exhibited the highest Power Conversion Efficiency (PCE) of about 2 % in organic solar cells. This higher PCE was attributed essentially to the pronounced internal charge transfer band contribution to the charge photogeneration observed in TAT‐mFM solar cells.
Evaluating the Ready Biodegradability of Biodegradable Plastics
Authors: Nabeoka Ryosuke , Suzuki Hisako , Akasaka Yuya , Ando Nanami , Yoshida Tomohiko 
Published: May 2021

Abstract
Reducing the environmental burden and assessing the safety of plastics are huge global challenges. However, standard test data on the ready biodegradability of plastics are limited. We evaluated the ready biodegradability of 8 biodegradable plastics using Organisation for Economic Co-operation and Development (OECD) test guideline 301F with nonspecific bacteria and examined the effects of prolonging the test duration to a maximum of 90 d. Cellulose used as a potential reference material for plastics was not comparable to the reference material of OECD test guideline 301, but it may be improved by using a test concentration lower than the typical test concentration (100 mg/L). Of the 8 plastics examined, polyamide 4, poly(3-hydroxybutyrate-co-3-hydroxyhexanoate), polycaprolactone, and poly(butylene succinate adipate; PBSA) were biodegraded by &gt;60% by day 28 and considered to show ready biodegradability. Poly(3-hydroxybutyrate; PHB), poly(3-hydroxybutyric acid-co-3-hydroxyvaleric acid; PHBV), and poly(butylene succinate; PBS) were biodegraded but did not fulfill the ready biodegradability criteria. Because the typical test concentration is considered to have negative effects on biodegradation and calculation of biodegradation percentage, using a lower concentration may result in PHB, PHBV, and PBS fulfilling the ready biodegradability criteria. Poly(d,l-lactide; PLA) was not biodegraded. The biodegradation of PBS and PBSA was noted to vary depending on the used inoculum and/or particle size. For the 7 plastics except PLA, the percentage biodegradation on day 60 was larger than that on day 28, indicating that a longer test period could be useful for evaluating the environmental persistence of plastics. In tests in which the plastics were not biodegraded by day 60, no marked biodegradation was observed by day 90. Environ Toxicol Chem 2021;40:2443–2449. © 2021 SETAC
Evolutionary mechanisms that determine which bacterial genes are carried on plasmids
Authors: Lehtinen Sonja , Huisman Jana S. , Bonhoeffer Sebastian 
Published: May 2021

AbstractThe evolutionary pressures that determine the location (chromosomal or plasmid-borne) of bacterial genes are not fully understood. We investigate these pressures through mathematical modeling in the context of antibiotic resistance, which is often found on plasmids. Our central finding is that gene location is under positive frequency-dependent selection: the higher the frequency of one form of resistance compared to the other, the higher its relative fitness. This can keep moderately beneficial genes on plasmids, despite occasional plasmid loss. For these genes, positive frequency dependence leads to a priority effect: whichever form is acquired first—through either mutation or horizontal gene transfer—has time to increase in frequency and thus becomes difficult to displace. Higher rates of horizontal transfer of plasmid-borne than chromosomal genes therefore predict moderately beneficial genes will be found on plasmids. Gene flow between plasmid and chromosome allows chromosomal forms to arise, but positive frequency-dependent selection prevents these from establishing. Further modeling shows that this effect is particularly pronounced when genes are shared across a large number of species, suggesting that antibiotic resistance genes are often found on plasmids because they are moderately beneficial across many species. We also revisit previous theoretical work—relating to the role of local adaptation in explaining gene location and to plasmid persistence—in light of our findings.
Trajectories of depression symptoms over time differ by APOE4 genotype in older adults with type 2 diabetes
Authors: Lavie Inbar , Beeri Michal Schnaider , Berman Yuval , Schwartz Yonathan , Soleimani Laili , Heymann Anthony , Ravona‐Springer Ramit 
Published: May 2021

AbstractObjectivesThe APOE‐ε4 genotype has been associated with old‐age depression, but this relationship has been rarely investigated in type 2 diabetes (T2D) older adults, who are at significantly increased risk for depression, a major contributor to T2D complications. We examined whether trajectories of depression symptoms over time differ by APOE‐ε4 genotype in older adults with T2D.MethodsParticipants (n = 754 [13.1% APOE‐ε4 carrier]s) were from the longitudinal Israel Diabetes and Cognitive Decline (IDCD) study. They were initially cognitively normal and underwent evaluations of depression approximately every 18 months using the 15‐item version of the Geriatric Depression Scale (GDS) and the depression subscale of the Neuropsychiatric Inventory (NPI). APOE was defined as a dichotomy of ε4 carriers and non‐carriers. We used Hierarchical Linear Mixed Models (HLMM) that modeled the effects of APOE status on repeated GDS and NPI‐depression scores in an unadjusted model (Model 1), adjusting for demographic factors (Model 2) and additionally adjusting for cardiovascular factors and global cognition (Model 3).ResultsParticipants’ mean age was 71.37 (SD = 4.5); 38.2% female. In comparison to non‐carriers, APOE‐ε4 carriers had lower mean GDS scores (β = −0.46, p = 0.018) and lower NPI‐depression scores (β = −0.170, p = 0.038) throughout all study follow period. The groups did not differ in the slope of change over time in GDS (β = −0.005, p = 0.252) or NPI‐depression (β = −0.001, p = 0.994) scores. Additional adjustment for cardiovascular factors and global cognition did not alter these results.ConclusionsIn older adults with T2D, APOE‐ε4 carriers have less depressive symptoms in successive measurements suggesting they may be less susceptible to depression.
Als3‐Th‐cell‐epitopes plus the novel combined adjuvants of CpG, MDP, and FIA synergistically enhanced the immune response of recombinant TRAP derived from Staphylococcus aureus in mice
Authors: Ma Jinzhu , Liu Wei , Wang Beiyan , Yu Simiao , Yu Liquan , Song Baifen , Yu Yongzhong , Zhu Zhanbo , Cui Yudong 
Published: May 2021

AbstractIntroduction
Staphylococcus aureus (S. aureus) is a gram‐positive opportunistic pathogen, there are currently no high effective vaccine against S. aureus in humans and animals, the development of an efficient vaccine remains an important challenge to prevent S. aureus infection. Here, we prepared Als3‐Th‐cell‐epitope‐Target of RNAIII Activating Protein (TRAP) (ATT) proteins plus the novel combined adjuvants to develop a promising vaccine candidate against S. aureus.MethodsThe recombinant pET‐28a (+)‐att plasmids were constructed, and the ATT proteins were expressed and obtained, then, ATT plus Freund's adjuvant or the novel combined adjuvants of cytosine‐phosphate‐guanosine oligodeoxynucleotides (CpG), muramyl dipeptides (MDP), and FIA were immunized in mice. After booster immunization, the levels of interferon‐γ (IFN‐γ), interleukin‐4 (IL‐4), IL‐10 and IL‐17A cytokine were evaluated, the humoral immune responses against TRAP were detected in mice, and the survival rate of mice was confirmed by challenge assay.ResultsThe mice immunized with ATT plus Freund's adjuvant exhibited significantly higher level of IFN‐γ, IL‐4, IL‐10, and IL‐17A, and displayed the stronger humoral immune response against TRAP than control groups, importantly, the survival rate of these mice was significantly higher than control groups. In addition, compared with the control groups, ATT + CpG + MDP + FIA group was elicited significantly higher level of IFN‐γ, IL‐4, IL‐10, and IL‐17A and was triggered the stronger humoral immune responses against TRAP, moreover, generated the higher survival rate of mice.ConclusionAls3 epitopes significantly enhanced TRAP immunogenicity. ATT plus the novel combined adjuvants of CpG, MDP, and FIA induced the strong immune response and protection against S. aureus, revealing the combination of CpG, MDP, and FIA adjuvant acts the synergistic effect.
Ambient temperature sulfonated carbon fiber reinforced PEEK with hydroxyapatite and reduced graphene oxide hydroxyapatite composite coating
Authors: Addai Asante Naomi , Wang Youfa , Bakhet Shahd , Kareem Shefiu , Owusu Kwadwo Asare , Hu Yuandi , Appiah Millicent 
Published: May 2021

Abstract30% carbon fiber reinforced polyetheretherketone (CFR‐PEEK) has in recent times, become significant in the orthopedic industry because its elastic modulus can be engineered to match that of the human bone. But it is bioinert and does not integrate well with the immediate bone tissue environment. In this study, a combined surface modification technique involving ambient temperature sulfonation and surface coating of (hydroxyapatite (HA), 5%reduced graphene oxide hydroxyapatite(5%RGO/HA) and 10%reduced graphene oxide hydroxyapatite(10%RGO/HA) composites) on 30%CFR‐PEEK was achieved with an appropriate temperature treatment at 345°C in nitrogen. The coatings adhered unto the surface of S30%CFR‐PEEK with an improved hydrophilicity and bioactivity. With the sample S30%CFR‐PEEK+HA, having the highest enhanced hydrophilicity from 112.5 ± 2.5° to 20 ± 2° and bioactivity. An improvement in hydrophilicity and bioactivity depicts a change in surface chemistry which will have a positive impact in the interaction of the materials surface with immediate bone environment for a successful application in the orthopedic industry.
Transcriptome‐based screening of ion channels and transporters in a migratory chondroprogenitor cell line isolated from late‐stage osteoarthritic cartilage
Authors: Matta Csaba , Lewis Rebecca , Fellows Christopher , Diszhazi Gyula , Almassy Janos , Miosge Nicolai , Dixon James , Uribe Marcos C. , May Sean , Poliska Szilard , Barrett‐Jolley Richard , Fodor Janos , Szentesi Peter , Hajdú Tibor , Keller‐Pinter Aniko , Henslee Erin , Labeed Fatima H. , Hughes Michael P. , Mobasheri Ali 
Published: May 2021

AbstractChondrogenic progenitor cells (CPCs) may be used as an alternative source of cells with potentially superior chondrogenic potential compared to mesenchymal stem cells (MSCs), and could be exploited for future regenerative therapies targeting articular cartilage in degenerative diseases such as osteoarthritis (OA). In this study, we hypothesised that CPCs derived from OA cartilage may be characterised by a distinct channelome. First, a global transcriptomic analysis using Affymetrix microarrays was performed. We studied the profiles of those ion channels and transporter families that may be relevant to chondroprogenitor cell physiology. Following validation of the microarray data with quantitative reverse transcription‐polymerase chain reaction, we examined the role of calcium‐dependent potassium channels in CPCs and observed functional large‐conductance calcium‐activated potassium (BK) channels involved in the maintenance of the chondroprogenitor phenotype. In line with our very recent results, we found that the KCNMA1 gene was upregulated in CPCs and observed currents that could be attributed to the BK channel. The BK channel inhibitor paxilline significantly inhibited proliferation, increased the expression of the osteogenic transcription factor RUNX2, enhanced the migration parameters, and completely abolished spontaneous Ca2+ events in CPCs. Through characterisation of their channelome we demonstrate that CPCs are a distinct cell population but are highly similar to MSCs in many respects. This study adds key mechanistic data to the in‐depth characterisation of CPCs and their phenotype in the context of cartilage regeneration.
Activated mast cells in skeletal muscle can be a potential mediator for cancer‐associated cachexia
Authors: Widner D. Brooke , Liu Chun , Zhao Qingxia , Sharp Sarah , Eber Matthew R. , Park Sun H. , Files D. Clark , Shiozawa Yusuke 
Published: May 2021

AbstractBackgroundEighty per cent of United States advanced cancer patients faces a worsened prognosis due to cancer‐associated cachexia. Inflammation is one driver of muscle atrophy in cachexia, and skeletal muscle‐resident immune cells could be a source of inflammation. This study explores the efficacy of cancer activated skeletal muscle‐resident mast cells as a biomarker and mediator of cachexia.MethodsIndividual gene markers for immune cells were assessed in a publicly available colon carcinoma cohort of normal (n = 3), moderate cachexia (n = 3), and severe cachexia (n = 4) mice. Lewis lung carcinoma (LL/2) cells induced cachexia in C57BL/6 mice, and a combination of toluidine blue staining, immunofluorescence, quantitative polymerase chain reaction, and western blots measured innate immune cell expression in hind limb muscles. In vitro measurements included C2C12 myotube diameter before and after treatment with media from primary murine mast cells activated with LL/2 conditioned media. To assess translational potential in human samples, innate immune cell signatures were assessed for correlation with skeletal muscle atrophy and apoptosis, dietary excess, and cachexia signatures in normal skeletal muscle tissue. Gene set enrichment analysis was performed with innate immune cell signatures in publicly available cohorts for upper gastrointestinal (GI) cancer and pancreatic ductal adenocarcinoma (PDAC) patients (accession: GSE34111 and GSE130563, respectively).ResultsIndividual innate immunity genes (TPSAB1 and CD68) showed significant increases in severe cachexia (weight loss > 15%) mice in a C26 cohort (GSE24112). Induction of cachexia in C57BL/6 mice with LL/2 subcutaneous injection significantly increased the number of activated skeletal muscle‐resident degranulating mast cells. Murine mast cells activated with LL/2 conditioned media decreased C2C12 myotube diameter (P ≤ 0.05). Normal human skeletal muscle showed significant positive correlations between innate immune cell signatures and muscle apoptosis and atrophy, dietary excess, and cachexia signatures. The mast cell signature was up‐regulated (positive normalized enrichment score and false discovery rate ≤ 0.1) in upper GI cachectic patients (n = 12) compared with control (n = 6), as well as in cachectic PDAC patients (n = 17) compared with control patients (n = 16).ConclusionsActivated skeletal muscle‐resident mast cells are enriched in cachectic muscles, suggesting skeletal‐muscle resident mast cells may serve as a biomarker and mediator for cachexia development to improve patient diagnosis and prognosis.
Predictors of early mortality among patients with acute‐on‐chronic liver failure
Authors: Valantine Bershic , Sundaray Nabakishore , Mishra Debakanta , Sahu Samir , Narayan Jimmy , Panda Baikuntha N , Singh Ayaskanta 
Published: May 2021

AbstractBackground and AimAcute‐on‐chronic liver failure (ACLF) is a transpiring entity, which possesses high short‐term/early mortality (28 days). Several mortality predictors have been studied, but none were proved reliable. Serum ferritin, an acute phase reactant and marker of hepatic necro‐inflammation, is found to predict mortality in multiple liver diseases. We aimed to evaluate the role of serum ferritin and other clinical features, biochemical parameters and conventional scoring systems in predicting early mortality among ACLF.MethodsA prospective cohort study was done from October 2017 to March 2019 at a tertiary care (non‐transplant) center in eastern India. A total of consecutive 50 ACLF patients diagnosed, based on Asia Pacific Association for the Study of liver disease definition, were investigated for ferritin and other laboratory parameters on day‐0, day‐7, and followed up for 28 days.ResultsAlthough the majority did not have organ failure (ACLF grade 0) according to European Association for Study of Liver‐chronic liver failure sequential organ failure assessment criteria, early mortality was high (56%). On undergoing univariate analysis, multiple variables (ascites, HE, creatinine, total leucocyte count (TLC), bilirubin, albumin) predicted mortality. However, on multivariate analysis, only total bilirubin independently predicted. None of the scores on day‐0 were predictive, while model for end‐stage liver disease [area under the receiver operating characteristics (AUROC)‐0.703, 95% confidence interval [CI]: 0.535–0.859] and Child–Turcotte–Pugh (AUROC‐0.697, 95% CI: 0.550–0.855) on day‐7 did.ConclusionACLF is a dynamic process; day‐7 assessment with above predictors, to be considered a milestone for prognostication and opting treatment modalities. Serum ferritin does not predict early mortality in ACLF.
Dasatinib‐induced chylothorax: An unusual presentation of a common adverse event—A case report with literature review
Authors: Paul Theresa , Ellahie Anil Yousaf , Almohtasib Yazan Salah , Sinha Urshita , El Omri Halima 
Published: May 2021

AbstractTyrosine kinase inhibitors (TKIs) are the key agents for treating CML and BCR–ABL+ B‐ALL. Dasatinib is a potent second‐generation TKI. Here, we have discussed the case of a 51‐year‐old gentleman diagnosed with B‐myeloid mixed‐phenotype acute leukemia with t(9;22)(q34.1;q11.2); BCR–ABL1p210, in complete hematological, cytogenetic, and molecular remission, who developed chylothorax. Though pleural effusion is a commonly observed adverse effect of dasatinib therapy, chylothorax is rare. The ability of Dasatinib to inhibit multiple families of tyrosine kinases could be considered the etiology. Discontinuation of the drug resolved the symptom, but pleural effusion recurred once Dasatinib was resumed. Chylothorax induced by Dasatinib is a differential to be kept in mind, owing to the limited number of cases being reported.
Genome‐wide screening of SARS‐CoV‐2 infection‐related genes based on the blood leukocytes sequencing data set of patients with COVID‐19
Authors: Gao Xin , Liu Yuan , Zou Shaohui , Liu Pengqin , Zhao Jing , Yang Changshun , Liang Mingxing , Yang Jinlian 
Published: May 2021

AbstractCoronavirus disease 2019 (COVID‐19) is a global epidemic disease caused by a novel virus, severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), causing serious adverse effects on human health. In this study, we obtained a blood leukocytes sequencing data set of COVID‐19 patients from the GEO database and obtained differentially expressed genes (DEGs). We further analyzed these DEGs by protein–protein interaction analysis and Gene Ontology enrichment analysis and identified the DEGs closely related to SARS‐CoV‐2 infection. Then, we constructed a six‐gene model (comprising IFIT3, OASL, USP18, XAF1, IFI27, and EPSTI1) by logistic regression analysis and calculated the area under the ROC curve (AUC) for the diagnosis of COVID‐19. The AUC values of the training group, testing group, and entire group were 0.930, 0.914, and 0.921, respectively. The six genes were highly expressed in patients with COVID‐19 and positively correlated with the expression of SARS‐CoV‐2 invasion‐related genes (ACE2, TMPRSS2, CTSB, and CTSL). The risk score calculated by this model was also positively correlated with the expression of TMPRSS2, CTSB, and CTSL, indicating that the six genes were closely related to SARS‐CoV‐2 infection. In conclusion, we comprehensively analyzed the functions of DEGs in the blood leukocytes of patients with COVID‐19 and constructed a six‐gene model that may contribute to the development of new diagnostic and therapeutic ideas for COVID‐19. Moreover, these six genes may be therapeutic targets for COVID‐19.