bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flower‐Shaped Optical Vortex Array
Authors: Fan Haihao , Zhang Hao , Cai Chenyuan , Tang Miaomiao , Li Hehe , Tang Jie , Li Xinzhong 
Published: January 2021

AbstractHerein, the generation of an optical vortex array dubbed the flower‐shaped optical vortex array (FOVA) is proposed and experimentally demonstrated using a single optical path interference method. FOVA is generated by the superposition of even and odd Ince–Gaussian (IG) beams, which have the same degree m and different order p. The number of optical vortices (OVs) in the FOVA is determined based on the values of order p and degree m of the even and odd IG beams. Furthermore, the positive sign of the OVs in the array can be transformed to negative by adding a specific initial phase difference. The OVs vanish and then recover as the initial phase difference increases from 0 to 2π. Moreover, the gradient force and energy flow distribution of the FOVA are studied. The OVA with flower‐shaped structure generated herein has potential significance in applications, such as microparticle manipulation and optical measurements.
Chiral Spiro‐Axis Induced Blue Thermally Activated Delayed Fluorescence Material for Efficient Circularly Polarized OLEDs with Low Efficiency Roll‐Off
Authors: Zhang Yi‐Pin , Liang Xiao , Luo Xu‐Feng , Song Shi‐Quan , Li Si , Wang Yi , Mao Zhi‐Ping , Xu Wen‐Ye , Zheng You‐Xuan , Zuo Jing‐Lin , Pan Yi 
Published: January 2021

AbstractA spiro‐axis skeleton not only introduces circularly polarized luminescence (CPL) into thermally activated delayed fluorescence (TADF) molecules but also enhances the intramolecular through space charge transfer (TSCT) process. Spiral distributed phenoxazine and 2‐(trifluoromethyl)‐9H‐thioxanthen‐9‐one‐10,10‐dioxide act as donor and acceptor units, respectively. The resulting TADF enantiomers, (rac)‐OSFSO, display emission maxima at 470 nm, small singlet‐triplet energy gap (ΔEST) of 0.022 eV and high photoluminescence quantum yield (PLQY) of 81.2 % in co‐doped film. The circularly polarized OLEDs (CP‐OLEDs) based on (R)‐OSFSO and (S)‐OSFSO display obvious circularly polarized electroluminescence (CPEL) signals with dissymmetry factor up to 3.0×10−3 and maximum external quantum efficiency (EQEmax) of 20.0 %. Moreover, the devices show remarkably low efficiency roll‐off with an EQE of 19.3 % at 1000 cd m−2 (roll‐off ca. 3.5 %), which are among the top results of CP‐OLEDs.
Efficient Infrared‐Light‐Driven CO2 Reduction Over Ultrathin Metallic Ni‐doped CoS2 Nanosheets
Authors: Xu Jiaqi , Ju Zhengyu , Zhang Wei , Pan Yang , Zhu Junfa , Mao Jiawei , Zheng Xueli , Fu Haiyan , Yuan Maolin , Chen Hua , Li Ruixiang 
Published: January 2021

AbstractConverting CO2 and H2O into carbon‐based fuel by IR light is a tough task. Herein, compared with other single‐component photocatalysts, the most efficient IR‐light‐driven CO2 reduction is achieved by an element‐doped ultrathin metallic photocatalyst‐Ni‐doped CoS2 nanosheets (Ni‐CoS2). The evolution rate of CH4 over Ni‐CoS2 is up to 101.8 μmol g−1 h−1. The metallic and ultrathin nature endow Ni‐CoS2 with excellent IR light absorption ability. The PL spectra and Arrhenius plots indicate that Ni atoms could facilitate the separation of photogenerated carriers and the decrease of the activation energy. Moreover, in situ FTIR, DFT calculations, and CH4‐TPD reveal that the doped Ni atoms in CoS2 could effectively depress the formation energy of the *COOH, *CHO and desorption energy of CH4. This work manifests that element doping in atomic level is a powerful way to control the reaction intermediates, providing possibilities to realize high‐efficiency IR‐light‐driven CO2 reduction.
Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS‐CoV‐2 Spike Protein**
Authors: Shoemark Deborah K. , Colenso Charlotte K. , Toelzer Christine , Gupta Kapil , Sessions Richard B. , Davidson Andrew D. , Berger Imre , Schaffitzel Christiane , Spencer James , Mulholland Adrian J. 
Published: January 2021

AbstractWe investigate binding of linoleate and other potential ligands to the recently discovered fatty acid binding site in the SARS‐CoV‐2 spike protein, using docking and molecular dynamics simulations. Simulations suggest that linoleate and dexamethasone stabilize the locked spike conformation, thus reducing the opportunity for ACE2 interaction. In contrast, cholesterol may expose the receptor‐binding domain by destabilizing the closed structure, preferentially binding to a different site in the hinge region of the open structure. We docked a library of FDA‐approved drugs to the fatty acid site using an approach that reproduces the structure of the linoleate complex. Docking identifies steroids (including dexamethasone and vitamin D); retinoids (some known to be active in vitro, and vitamin A); and vitamin K as potential ligands that may stabilize the closed conformation. The SARS‐CoV‐2 spike fatty acid site may bind a diverse array of ligands, including dietary components, and therefore provides a promising target for therapeutics or prophylaxis.
Polyurethane/polyethersulfone dual‐layer anisotropic membranes for CO2 removal from flue gas
Authors: García Jiménez Christian David , Habert Alberto Cláudio , Borges Cristiano Piacsek 
Published: January 2021

AbstractRemoving CO2 from flue gas streams has been a permanent challenge regarding environmental issues. Membrane technology is a solution for this problem but more efficient membranes are required. The fabrication of dual‐layer polyurethane/polyethersulfone membrane by the co‐casting technique is undertaken and the effects of previous evaporation time and coagulation water bath temperature on membrane morphology are explored. Uniform layers with excellent adhesion are obtained. The effect of feed pressure and temperature on membrane permeability and selectivity for CO2, N2, and O2 are studied. Increasing the pressure from 1 to 8 bar results in a reduction of CO2 permeability and CO2/N2 ideal selectivity from 19.6 to 13.0 barrer, and from 66 to 60, respectively. Temperature in the range of 25–45°C enhances CO2 permeability from 19.6 to 28.9 barrer, although CO2/N2 selectivity decreases from 66 to 43, yet showing good potential for applications.
Effect of shell phase composition on the dielectric property and energy density of core‐shell structured BaTiO3 particles modified poly(vinylidene fluoride) nanocomposites
Authors: Xie Junhao , Zhao Xuanchen , Sun Shulin , Song Shixin 
Published: January 2021

AbstractDielectric nanocomposites have attracted much attention due to their wide applications in electronics and electrical industry. Recently, incorporating core‐shell nanoparticles into polymer matrix to improve the dielectric properties of nanocomposites has been widely reported. Tailoring the interfacial region between the polymer and the nanoparticles plays a crucial role in achieving the desired dielectric and energy storage properties of nanocomposites. However, the effect of shell structure in the interface region on the dielectric and energy storage properties is rarely studied. Based on this, core‐shell BaTiO3 nanoparticles with two different shell polymers, a “hard‐soft” copolymer of methyl methacrylate and butyl acrylate (P[MMA‐BA]) and a “hard” homopolymer of methyl methacrylate (PMMA), were prepared in this paper. The effect of core‐shell BaTiO3 nanoparticles with different shell structures on the dielectric and energy storage properties of poly(vinylidene fluoride) (PVDF) was investigated in depth. Due to the formation of a tight interfacial region between P(MMA‐BA)@BT and PVDF matrix, P(MMA‐BA)@BT/PVDF nanocomposites not only have low dielectric loss but also higher energy efficiency than PMMA@BT/PVDF nanocomposites. This study suggests a potential strategy that fabricating a “hard‐soft” copolymer shell on BaTiO3 surface can obtain desirable energy storage efficiency than the single “hard” shell structure in dielectric nanocomposites.
Contribution of a European‐Prevalent Variant near CD83 and an East Asian–Prevalent Variant near IL17RB to Herpes Zoster Risk in Tofacitinib Treatment: Results of Genome‐Wide Association Study Meta‐Analyses
Authors: Bing Nan , Zhou Huanyu , Chen Xing , Hirose Tomohiro , Kochi Yuta , Tsuchida Yumi , Ishigaki Kazuyoshi , Sumitomo Shuji , Fujio Keishi , Zhang Baohong , Valdez Hernan , Vincent Michael S. , Martin David , Clark James D. 
Published: January 2021

ObjectiveTofacitinib is an oral JAK inhibitor for the treatment of rheumatoid arthritis (RA), psoriatic arthritis, and ulcerative colitis, and has been previously investigated for psoriasis (PsO). This meta‐analysis of genome‐wide association studies (GWAS) was performed to identify genetic factors associated with increased risk/faster onset of herpes zoster (HZ) in subjects with RA or PsO receiving tofacitinib treatment, and to determine potential mechanisms that could be attributed to the varying rates of HZ across ethnicities.MethodsIn an ethnicity/indication‐specific, trans‐ethnic, trans‐population meta‐analysis of GWAS in subjects with RA or PsO from phase II, phase III, and long‐term extension studies of tofacitinib, 8 million genetic variants were evaluated for their potential association with time to an HZ event and incidence of an HZ event (case versus control) with tofacitinib treatment, using Cox proportional hazard and logistic regression analyses, respectively.ResultsIn total, 5,246 subjects were included (3,168 with RA and 2,078 with PsO). After adjustment for age, baseline absolute lymphocyte count, genetically defined ethnicity, and concomitant methotrexate use (in RA subjects only), 4 loci were significantly associated with faster onset of HZ in European subjects (P < 5 × 10−8), including a single‐nucleotide polymorphism (SNP) near CD83 (frequency of risk allele ~2% in European subjects versus ~0.1% in East Asian subjects). In the trans‐ethnic, trans‐population meta‐analysis, the CD83 SNP remained significant. Four additional significant loci were identified in the meta‐analysis, among which a SNP near IL17RB was associated with faster onset of HZ (meta‐analysis hazard ratio 3.6 [95% confidence interval 2.40–5.44], P = 7.6 × 10−10; frequency of risk allele ~12% in East Asian subjects versus <0.2% in European subjects).ConclusionGenetic analysis of tofacitinib‐treated subjects with RA or PsO identified multiple loci associated with increased HZ risk. Prevalent variants near the immune‐relevant genes CD83 and IL17RB in European and East Asian populations, respectively, may contribute to risk of HZ in tofacitinib‐treated subjects.
Risk Factors for COVID‐19 and Rheumatic Disease Flare in a US Cohort of Latino Patients
Authors: Fike Alice , Hartman Julia , Redmond Christopher , Williams Sandra G. , Ruiz‐Perdomo Yanira , Chu Jun , Hasni Sarfaraz , Ward Michael M. , Katz James D. , Gourh Pravitt 
Published: January 2021

ObjectiveLatino patients are overrepresented among cases of coronavirus disease 2019 (COVID‐19) and are at an increased risk of severe disease. Prevalence of COVID‐19 in Latinos with rheumatic diseases is poorly reported. This study was undertaken to characterize COVID‐19 clinical features and outcomes in Latino patients with rheumatic diseases.MethodsWe conducted a retrospective study of Latino patients with rheumatic diseases from an existing observational cohort in the Washington, DC area. Patients seen between April 1, 2020 and October 15, 2020 were analyzed in this study. We reviewed demographic characteristics, body mass index (BMI), comorbidities, and use of immunomodulatory therapies. An exploratory classification and regression tree (CART) analysis along with logistic regression analyses were performed to identify risk factors for COVID‐19 and rheumatic disease flare.ResultsOf 178 Latino patients with rheumatic diseases, 32 (18%) were identified as having COVID‐19, and the incidence rate of infection was found to be 3‐fold higher than in the general Latino population. No patients required intensive care unit–level care. A CART analysis and multivariable logistic regression analysis identified a BMI of >30.35 as a risk factor for COVID‐19 (odds ratio [OR] 3.37 [95% confidence interval (95% CI) 1.5–7.7]; P = 0.004). COVID‐19 positivity was a risk factor for rheumatic disease flare (OR 4.57 [95% CI 1.2–17.4]; P = 0.02).ConclusionOur findings indicate that Latino patients with rheumatic diseases have a higher rate of COVID‐19 compared with the general Latino population. Obesity is a risk factor for COVID‐19, and COVID‐19 is a risk factor for rheumatic disease flare. Latino patients with risk factors should be closely followed up, especially post–COVID‐19 in anticipation of disease flare.
Synthesis of Terminally Fluorinated [7]Helicenes and Their Application to Photochemical Domino Reactions
Authors: Matsuda Chikako , Suzuki Yuto , Katagiri Hiroshi , Murase Takashi 
Published: January 2021

AbstractThe intramolecular Diels−Alder reactions of helicenes deform their π‐conjugated screw‐shaped skeletons. In particular, terminally tetrafluorinated [7]helicene (F4‐[7]helicene) undergoes a photoinduced Diels−Alder reaction followed by a photoinduced double fluorine atom transfer. Herein, we thoroughly investigated this photochemical domino process by decreasing the level of fluorine substitution. F3‐[7]Helicenes bearing two fluorine atoms at the dienophile terminal underwent photoinduced Diels−Alder reactions, but the whole domino process became slow. F2‐[7]Helicene, which is difluorinated only at the dienophile terminal, was also photolabile. As a result, two fluorine atoms were sufficient for the photochemical domino reaction to occur. X‐ray crystallographic analysis revealed that F2‐[7]helicene was less compressed than F4‐[7]helicene, indicating that terminal polyfluorination enhanced the intramolecular arene−fluoroarene stacking interactions and thus promoted the transformations.
Pregestational screening of hereditary deafness genes carriers in 10,684 normal pregnant women in Zhuzhou, China
Authors: Qi Mingming , Lai Huimin , Xu Lili , Zeng Fanhua , Zhang Jing , Xie Kaili 
Published: January 2021

AbstractBackgroundMutations in genes associated with deafness differ between ethnic groups and regions in China. In this study, we investigated the genes associated with deafness in pregnant women to analyze the distribution of mutations leading to deafness in Zhuzhou, China.MethodsA total of 10,684 pregnant women were enrolled in this study. DNA samples were collected to detect the 14 common mutations in deafness genes (at 108 sites).ResultsPrevalence of mutations in deafness genes in pregnant women with normal hearing in Zhuzhou was 4.92% (526/10,684). Among these 526 pregnant women with deafness gene mutations, the frequencies of mutated GJB2, GJB3, SLC26A4, and mtDNA 12S rRNA were 40.11, 7.22, 40.68, and 11.98%, respectively. The hotspots for mutations in the deafness genes were: c.235delC in GJB2 (31.18%), c.919‐2A > G in SLC26A4 (18.44%), c.299_300delAT in GJB2 (5.70%), m.7444G > A in mtDNA 12S rRNA (5.70%), c.1229C > T in SLC26A4 (5.51%), m.1555A > G in mtDNA 12S rRNA (5.32%), accounting for 71.85%. Moreover, husbands of the 526 pregnant women who carried the deafness gene mutations were also included in the analysis to detect deafness gene mutations. Among the 526 husbands, 23 husbands carried mutations in deafness genes, accounting for 4.37%. The deafness gene mutations of the husbands and pregnant wives were not the same. In addition, the results of the neonatal follow‐up hearing tests were all normal.ConclusionOur study identified the prevalence of mutations in GJB2, SLC26A4, mtDNA 12S rRNA, and GJB3 genes in pregnant women from Zhuzhou, China.
Protein kinase G phosphorylates the Alzheimer's disease‐associated tau protein at distinct Ser/Thr sites
Authors: Montalto Giulia , Caudano Francesca , Sturla Laura , Bruzzone Santina , Salis Annalisa , Damonte Gianluca , Prickaerts Jos , Fedele Ernesto , Ricciarelli Roberta 
Published: January 2021

AbstractIntraneuronal accumulation of hyperphosphorylated tau is a pathological hallmark of several neurodegenerative disorders, including Alzheimer's disease. Phosphorylation plays a crucial role in modulating the tau‐microtubule interaction and the ability of the protein to aggregate, but despite efforts during the past decades, the real identity of the kynases involved in vivo remains uncertain. Here, for the first time, we demonstrate that the cGMP‐dependent protein kinase G (PKG) phosphorylates tau in both in vitro and in vivo models. More intriguingly, we provide evidence that PKG phosphorylates tau at Ser214 but not at Ser202, a condition that could reduce the pathological aggregation of the protein shifting tau from a pro‐aggregant to a neuroprotective anti‐aggregant conformation.
CRISPR/Cas9 screening identifies a kinetochore‐microtubule dependent mechanism for Aurora‐A inhibitor resistance in breast cancer
Authors: Chen Ailin , Wen Shijun , Liu Fang , Zhang Zijian , Liu Meiling , Wu Yuanzhong , He Bin , Yan Min , Kang Tiebang , Lam Eric W‐F , Wang Zifeng , Liu Quentin 
Published: January 2021

AbstractBackgroundOverexpression of Aurora‐A (AURKA) is a feature of breast cancer and associates with adverse prognosis. The selective Aurora‐A inhibitor alisertib (MLN8237) has recently demonstrated promising antitumor responses as a single agent in various cancer types but its phase III clinical trial was reported as a failure since MLN8237 did not show an apparent effect in prolonging the survival of patients. Thus, identification of potential targets that could enhance the activity of MLN8237 would provide a rationale for drug combination to achieve better therapeutic outcome.MethodsHere, we conducted a systematic synthetic lethality CRISPR/Cas9 screening of 507 kinases using MLN8237 in breast cancer cells and identified a number of targetable kinases that displayed synthetic lethality interactions with MLN8237. Then, we performed competitive growth assays, colony formation assays, cell viability assays, apoptosis assays, and xenograft murine model to evaluate the synergistic therapeutic effects of Haspin (GSG2) depletion or inhibition with MLN8237. For mechanistic studies, immunofluorescence was used to detect the state of microtubules and the localization of Aurora‐B and mitotic centromere‐associated kinesin (MCAK).ResultsAmong the hits, we observed that Haspin depletion or inhibition marginally inhibited breast cancer cell growth but could substantially enhance the killing effects of MLN8237. Mechanistic studies showed that co‐treatment with Aurora‐A and Haspin inhibitors abolished the recruitment of Aurora‐B and mitotic centromere‐associated kinesin (MCAK) to centromeres which were associated with excessive microtubule depolymerization, kinetochore‐microtubule (KT‐MT) attachment failure, and severe mitotic catastrophe. We further showed that the combination of MLN8237 and the Haspin inhibitor CHR‐6494 synergistically reduced breast cancer cell viability and significantly inhibited both in vitro and in vivo tumor growth.ConclusionsThese findings establish Haspin as a synthetic lethal target and demonstrate CHR‐6494 as a potential combinational drug for promoting the therapeutic effects of MLN8237 on breast cancer.
Surgeon and medical oncologist peer network effects on the uptake of the 21‐gene breast cancer recurrence score assay
Authors: Zipkin Ronnie , Schaefer Andrew , Chamberlin Mary , Onega Tracy , O'Malley Alistair J. , Moen Erika L. 
Published: January 2021

AbstractBackgroundDrivers behind the adoption of gene expression profiling in breast cancer oncology have been shown to include exposure to physician colleagues’ use of a given genomic test. We examined adoption of the Oncotype DX 21‐gene breast cancer recurrence score assay (ODX) in the United States after its incorporation into clinical guidelines. The influence of patient‐sharing ties and co‐location with prior adopters and the role of these potential exposures across medical specialties on peers’ adoption of the test were examined.MethodsWe conducted a retrospective cohort study of women with incident breast cancer using a 100% sample of fee‐for‐service Medicare enrollee claims over 2008–2011. Peer networks connecting medical oncologists and surgeons treating these patients were constructed using patient‐sharing and geographic co‐location. The impact of peer connections on the adoption of ODX by physicians and testing of patients was modeled with multivariable hierarchical regression.ResultsAltogether, 156,229 women identified with incident breast cancer met criteria for cohort inclusion. A total of 7689 ODX prescribing physicians were identified. Co‐location with medical oncologists who adopted the test in the early period (2008–2009) was associated with a 1.38‐fold increase in the odds of a medical oncologist adopting ODX in 2010–2011 (95% CI = 1.04–1.83), as was co‐location with early‐adopting surgeons (odds ratio [OR] = 1.25, 95% CI = 1.00–1.58). Patients whose primary medical oncologist was linked to an early‐adopting surgeon through co‐location (OR = 1.17, 95% CI = 1.04–1.32) or both patient‐sharing and co‐location (OR = 1.17, 95% CI = 1.03–1.34) were more likely to receive ODX.ConclusionsExposure to surgeon early adopters through peer networks and co‐location was predictive of ODX uptake by medical oncologists and testing of patients. Interventions focused on the role of surgeons in molecular testing may improve the implementation of best practices in breast cancer care.
N‐glycan signature of serum immunoglobulins as a diagnostic biomarker of urothelial carcinomas
Authors: Kodama Hirotake , Yoneyama Tohru , Tanaka Toshikazu , Noro Daisuke , Tobisawa Yuki , Yamamoto Hayato , Suto Shinichiro , Hatakeyama Shingo , Mori Kazuyuki , Yoneyama Takahiro , Hashimoto Yasuhiro , Kakizaki Ikuko , Nakaji Shigeyuki , Ohyama Chikara 
Published: January 2021

AbstractDiscriminating between urothelial carcinoma (UC), including bladder cancer (BCa) and upper urinary tract UC (UTUC), is often challenging. Thus, the current study evaluated the diagnostic performance of N‐glycosylation signatures of immunoglobulins (Igs) for detecting UC, including BCa and UTUC. N‐glycosylation signatures of Igs from serum samples of the training cohort, including 104 BCa, 68 UTUC, 10 urinary tract infection, and 5 cystitis cases, as well as 62 healthy volunteers, were measured retrospectively using automated capillary‐electrophoresis‐based N‐glycomics. UTUC or BCa scores were then established through discriminant analysis using N‐glycan signatures of Igs. Diagnostic performance was evaluated using the area under receiver operating characteristics curve (AUC) and decision curve analyses (DCA). Our result showed that BCa and UTUC scores for discriminating BCa (AUC: 0.977) and UTUC (AUC: 0.867), respectively, provided significantly better clinical performance compared to urine cytology, gross hematuria, or clinical T1 cases. DCA revealed that adding BCa and UTUC scores to gross hematuria status was the best combination for detecting UC and avoiding the need for more intervention without overlooking UC (risk threshold: 13%–93%). The UC nomogram based on the combination of gross hematuria, UTUC score, and BCa score could detect UC with an AUC of 0.891, indicating significantly better performance compared to gross hematuria status in the validation cohort (251 patients). The limitations of this study include its small sample size and retrospective nature. The UC nomogram based on gross hematuria and N‐glycosylation signatures of Igs can be a promising approach for the diagnosis of UC.