bluuebunny/crossref_metadata_2025_split huggingface dataset:
Einfluß der Molekülgeometrie auf die Fluoreszenz‐Circularpolarisation in cholesterischen Phasen
Authors: Mainusch Klaus‐J. , Stegemeyer Horst 
Published: November 2023

AbstractEs wurde die Circularpolarisation der Fluoreszenz (CPF) achiraler Moleküle in kompensierbaren cholesterischen Mesophasen untersucht. Als Maß für die CPF wird ein Dissymmetriefaktor ge verwendet. Sein Vorzeichen hängt vom Drehsinn der helicalen Lösungsmittelmatrix sowie von der Richtung des elektronischen Übergangsmomentes der gelösten Chromophore ab.Untersucht wurden Aromaten und ihre Derivate, die in x‐Richtung eines molekülfesten Koordinatensystems Phenylsubstituenten tragen. Da die Richtung der betrachteten Übergangsmomenle und der Schraubensinn der cholesterischen Phase bekannt waren, konnte aus dem CPF‐Vorzeichen folgendes geschlossen werden: Die Chromophore orientieren sich stets mit ihrer Längsachse parallel zum Direktor. Das gilt auch dann, wenn infolge Phenylsubstitution am Grundkörper die x‐Achse länger wird als die z‐Achse.
Recent progress in Co‐free, Ni‐rich cathode materials for lithium‐ion batteries
Authors: Hussain Sk. Khaja , Bang Jin Ho 
Published: November 2023

AbstractCobalt (Co) has played an important role in nickel (Ni)‐rich cathode materials in terms of improving electrochemical performance, boosting energy density, and improving cycling life for lithium‐ion batteries (LIBs). While Co resources are becoming more cost‐effective, they pose environmental challenges that can lead to limitations in production and indicate the need for alternative Co‐free, Ni‐rich cathodes. This review aims to compile some of the concepts established in recent years to overcome the electrochemical disadvantages of Ni‐rich cathodes without Co. With the development of strategies involving single‐crystals, core‐shell structures, and substitution of Co by other metal ions, problems associated with capacity reduction and the underlying structure degradation mechanism have been resolved. Therefore, structural transformation strategies focusing on potential cathodes with improved energy density and lifetime have been pursued for safe LIBs. We also address possible issues and some new insights to improve the performance of Co‐free, Ni‐rich cathodes for practical applications.
Dynamic and visual nomograms to online predict unfavorable outcome of mechanical thrombectomy for acute basilar artery occlusion
Authors: Pan Xiding , Lin Shiteng , Xiang Liang , Zhou Feng , Xu Mengyi , Jie Qiong , Zhao Zhihong , Chen Chen , Zhou Junshan , Zou Jianjun 
Published: November 2023

AbstractBackgroundThe evidence of mechanical thrombectomy (MT) in basilar artery occlusion (BAO) was limited. This study aimed to develop dynamic and visual nomogram models to predict the unfavorable outcome of MT in BAO online.MethodsBAO patients treated with MT were screened. Preoperative and postoperative nomogram models were developed based on clinical parameters and imaging features. An independent dataset was collected to perform external validation. Web‐based calculators were constructed to provide convenient access.ResultsA total of 127 patients were included in the study, and 117 of them were eventually included in the analysis. The nomogram models showed robust discrimination, with an area under the receiver operating characteristic (ROC) of 0.841 (preoperative) and 0.916 (postoperative). The calibration curves showed good agreement. The preoperative predictors of an unfavorable outcome were previous stroke, the National Institutes of Health Stroke Scale (NIHSS) at admission, and the posterior circulation Alberta Stroke Program Early Computed Tomography Score (pc‐ASPECTS). The postoperative predictors were previous stroke, NIHSS at 24 h, and pc‐ASPECTS.ConclusionDynamic and visual nomograms were constructed and validated for the first time for BAO patients treated with MT, which provided precise predictions for the risk of an unfavorable outcome. The preoperative model may assist clinicians in selecting eligible patients, and the postoperative model may facilitate individualized poststroke management.
Natural history of Duchenne muscular dystrophy in the United Kingdom: A descriptive study using the Clinical Practice Research Datalink
Authors: Broomfield Jonathan , Abrams Keith , Latimer Nick , Guglieri Michela , Rutherford Mark , Crowther Michael 
Published: November 2023

AbstractBackgroundDuchenne muscular dystrophy (DMD) is a rare, muscle‐degenerative disease predominantly affecting males. Natural history models capture the full disease pathway under current care and combine with estimates of new interventions’ effects to assess cost‐effectiveness by health technology decision‐makers. These models require mortality estimates throughout a patient's lifetime, but rare disease datasets typically contain relatively few patients with short follow‐ups. Alternative (published) sources of mortality data may therefore be required.MethodsThe Clinical Practice Research Datalink (CPRD) was evaluated as a source of mortality and natural history data for future economic evaluations of health technologies for DMD and rare diseases in general in the UK population. This retrospective longitudinal cohort study provides flexible parametric estimates of mortality rates and survival probabilities in the current UK DMD population through primary/secondary records in the CPRD since 1990. It also investigates clinically significant milestones such as corticosteroid use, spinal surgery, and cardiomyopathy in these patients.ResultsA total of 1121 male patients were included in the study, observed from 0.7 to 48.9 years. Median life expectancy was 25.64 years (95% confidence interval 24.73, 26.47), consistent with previous global estimates. This has improved to 26.47 (25.16, 27.89) years in patients born after 1990. The median ages at corticosteroid initiation, spinal surgery, ventilation, and cardiomyopathy diagnosis were 6.06 years (5.77, 6.29), 14.79 years (14.29, 15.09), 16.97 years (16.50, 18.31), and 15.26 years (14.22, 16.70), respectively.ConclusionsEstimates of mortality in UK‐based DMD patients are age‐specific in a uniquely large and nationally representative sample from the CPRD.
Recent Advances and Challenges in Enzymatic Depolymerization and Recycling of PET Wastes
Authors: Shi Lixia , Zhu Leilei 
Published: November 2023

AbstractPoly (ethylene terephthalate) (PET) is one of the most commonly used plastics in daily life and various industries. Enzymatic depolymerization and recycling of post‐consumer PET (pc‐PET) provides a promising strategy for the sustainable circular economy of polymers. Great protein engineering efforts have been devoted to improving the depolymerization performance of PET hydrolytic enzymes (PHEs). In this review, we first discuss the mechanisms and challenges of enzymatic PET depolymerization. Subsequently, we summarize the state‐of‐the‐art engineering of PHEs including rational design, machine learning, and directed evolution for improved depolymerization performance, and highlight the advances in screening methods of PHEs. We further discuss several factors that affect the enzymatic depolymerization efficiency. We conclude with our perspective on the opportunities and challenges in bio‐recycling and bio‐upcycling of PET wastes.
Falls prechemotherapy and toxicity‐related hospitalization during adjuvant chemotherapy for breast cancer in older women: Results from the prospective multicenter HOPE trial
Authors: Ji Jingran , Bae Marie , Sun Can‐Lan , Wildes Tanya M. , Freedman Rachel A. , Magnuson Allison , O'Connor Tracey , Moy Beverly , Klepin Heidi D. , Chapman Andrew E. , Tew William P. , Dotan Efrat , Fenton Mary Anne , Kim Heeyoung , Katheria Vani , Gross Cary P. , Cohen Harvey J. , Muss Hyman B. , Sedrak Mina S. 
Published: November 2023

AbstractBackgroundOlder women with breast cancer frequently experience toxicity‐related hospitalizations during adjuvant chemotherapy. Although the geriatric assessment can identify those at risk, its use in clinic remains limited. One simple, low‐cost marker of vulnerability in older persons is fall history. Here, the authors examined whether falls prechemotherapy can identify older women at risk for toxicity‐related hospitalization during adjuvant chemotherapy for breast cancer.MethodsIn a prospective study of women >65 years old with stage I–III breast cancer treated with adjuvant chemotherapy, the authors assessed baseline falls in the past 6 months as a categorical variable: no fall, one fall, and more than one fall. The primary end point was incident hospitalization during chemotherapy attributable to toxicity. Multivariable logistic regression was used to examine the association between falls and toxicity‐related hospitalization, adjusting for sociodemographic, disease, and geriatric covariates.ResultsOf the 497 participants, 60 (12.1%) reported falling before chemotherapy, and 114 (22.9%) had one or more toxicity‐related hospitalizations. After adjusting for sociodemographic, disease, and geriatric characteristics, women who fell more than once within 6 months before chemotherapy had greater odds of being hospitalized from toxicity during chemotherapy compared to women who did not fall (50.0% vs. 20.8% experienced toxicity‐related hospitalization, odds ratio, 4.38; 95% confidence interval, 1.66–11.54, p = .003).ConclusionsIn this cohort of older women with early breast cancer, women who experienced more than one fall before chemotherapy had an over 4‐fold increased risk of toxicity‐related hospitalization during chemotherapy, independent of sociodemographic, disease, and geriatric factors.
Fertility preservation before and after cancer treatment in children, adolescents, and young adults
Authors: Yang Emily H. , Strohl Harmonie B. , Su H. Irene 
Published: November 2023

AbstractFertility is a top concern for many survivors of cancer diagnosed as children, adolescents and young adults (CAYA). Fertility preservation (FP) treatments are effective, evidence‐based interventions to support their family building goals. Fertility discussions are a part of quality oncology care throughout the cancer care continuum. For nearly 2 decades, clinical guidelines recommend counseling patients about the possibility of infertility promptly at diagnosis and offering FP options and referrals as indicated. Multiple guidelines now recommend post‐treatment counseling. Infertility risks differ by cancer treatments and age, rendering risk stratification a central part of FP care. To support FP decision‐making, online tools for female risk estimation are available. At diagnosis, females can engage in mature oocyte/embryo cryopreservation, ovarian tissue cryopreservation, ovarian suppression with GnRH agonists, in vitro oocyte maturation, and/or conservative management for gynecologic cancers. Post‐treatment, several populations may consider undergoing oocyte/embryo cryopreservation. Male survivors’ standard of care FP treatments center on sperm cryopreservation before cancer treatment and do not have the same post‐treatment indication for additional gamete cryopreservation. In practice, FP care requires systemized processes to routinely screen for FP needs, bridge oncology referrals to fertility, offer timely fertility consultations and access to FP treatments, and support financial navigation. Sixteen US states passed laws requiring health insurers to provide insurance benefits for FP treatments, but variation among the laws and downstream implementation are barriers to accessing FP treatments. To preserve the reproductive futures of CAYA survivors, research is needed to improve risk stratification, FP options, and delivery of FP care.
Quantitative homogenization of principal Dirichlet eigenvalue shape optimizers
Authors: Feldman William M. 
Published: November 2023

AbstractWe apply new results on free boundary regularity to obtain a quantitative convergence rate for the shape optimizers of the first Dirichlet eigenvalue in periodic homogenization. We obtain a linear (with logarithmic factors) convergence rate for the optimizing eigenvalue. Large scale Lipschitz free boundary regularity of almost minimizers is used to apply the optimal homogenization theory in Lipschitz domains of Kenig et al. A key idea, to deal with the hard constraint on the volume, is a combination of a large scale almost dilation invariance with a selection principle argument.
Sulfone‐Participated Organic Narrowband Emitters: Design Strategy and Recent Progress
Authors: Jiang Simin , Su Shi‐Jian 
Published: November 2023

AbstractPurely organic sulfone‐embedded materials play a significant role in thermally activated delayed fluorescence (TADF) emitters with theoretical 100 % exciton utilization for highly efficient organic light‐emitting diodes. However, intrinsic emission mechanism featuring twisted intramolecular charge transfer design strategy leads to severe structural distortion between ground state and excited state, disabling traditional sulfone‐based TADF emitters to achieve narrowband emission and high colour purity for wide colour gamut display. Recently, sulfone‐embedded narrowband TADF emitters have gradually emerged. Herein, we summarize the currently reported sulfone‐based narrowband emitters, with emphasis on the perspectives of molecular design, role of sulfone group in fused skeleton, photophysical property as well as future application prospect of this sort of materials.
Exogenous control of dormancy and chemical regulation of germination in Texas wintergrass (Nassella leucotricha (Trin. & Rupr.) Pohl) seeds
Authors: Turner Nathaniel Jacob , Osti Bandana , Kikanme Kenneth N. , Angappan Rameshkumar , Angeles‐Shim Rosalyn B. 
Published: November 2023

AbstractTexas wintergrass (Nassella leucotricha (Trin. & Rupr.) Pohl) has potential as a cool‐season forage but has not been used for such purpose due to its poor seed germination. This study focused on understanding the determinants of dormancy and identifying means of inducing maximum germination in Texas wintergrass toward making it more readily available for grazing systems. Scarification using sulfuric acid resulted in a significant improvement (≥50%) in the overall germination performance of the seeds. Chemical profiling of the seed coat identified diverse phenolic compounds, primarily in the form of flavonoids, which have been previously reported to induce seed dormancy in other plant species. Together, these results indicate the presence of exogenous dormancy in Texas wintergrass that prevents it from germinating even under optimum conditions. Treatment with low hydrogen peroxide (H2O2) titers in combination with scarification further increased seed germination up to 85%. This positive germination response is attributed to H2O2‐induced weakening of the seed coat that makes it semipermeable, oxidation and leaching of phenolic inhibitors of germination, and hydrolysis of H2O2 that provides seeds with access to more water and O2. Additionally, treatment with low H2O2 concentrations within the first 24 h of water uptake downregulated abscisic aldehyde oxidase (AAO3) and upregulated abscisic 8′ hydroxylase (A8H1) expression. AAO3 converts abscisic aldehyde into abscisic acid (ABA), whereas A8H1 breaks down ABA to produce phaseic acid. Treatment with the phytohormones gibberellic acid (GA) and 6‐benzylaminopurine (BAP) in combination with scarification also improved the germination performance of Texas wintergrass, with BAP producing better results than GA.
Asymmetric Supercapacitors based on 1,10‐phenanthroline‐5,6‐dione Molecular Electrodes Paired with MXene
Authors: Wei Qiaoqiao , Meng Congcong , Xiao Liang zhikun , He Yuanyuan , Yin Qing , Zhou Yi , Song Shengmiao , Qiang Ruibing , Yang Yuying , Li Zhimin , Hu Zhongai 
Published: November 2023

AbstractAn efficient approach to increase the energy density of supercapacitors is to prepare electrode materials with larger specific capacitance and increase the potential difference between the positive and negative electrodes in the device. Herein, an organic molecular electrode (OME) is prepared by anchoring 1,10‐phenanthroline‐5,6‐dione (PD), which possesses two pyridine rings and an electron‐deficient conjugated system, onto reduced graphene oxide (rGO). Because of the electron‐deficient conjugated structure of PD molecule, PD/rGOs exhibit a more positive redox peak potential along with the advantages of high capacitance‐controlled behaviour and fast reaction kinetics. Additionally, the small energy gap between the lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) leads to increased conductivity in PD/rGO. To assemble the asymmetric supercapacitor (ASC), a two‐dimensional metal carbide, as known as MXene, with a chemical composition of Ti3C2Tx is selected as the negative electrode due to its exceptional performance, and PD/rGO‐0.5 is employed as the positive electrode. Consequently, the working voltage is expanded up to 1.8 V. Through further electrochemical measurements, the assembled ASC (PD/rGO‐0.5//Ti3C2Tx) achieves a remarkable energy density of 36.8 Wh kg−1. Remarkably, connecting two ASCs in series can power 73 LEDs, showcasing its promising potential for energy storage applications.
Investigation of the activity of a novel tropolone in osteosarcoma
Authors: Haney Staci L. , Feng Dan , Kollala Sai Sundeep , Chhonker Yashpal S. , Varney Michelle L. , Williams Jacob T. , Ford James B. , Murry Daryl J. , Holstein Sarah A. 
Published: November 2023

AbstractOsteosarcoma (OS) is a primary malignant bone tumor characterized by frequent metastasis, rapid disease progression, and a high rate of mortality. Treatment options for OS have remained largely unchanged for decades, consisting primarily of cytotoxic chemotherapy and surgery, thus necessitating the urgent need for novel therapies. Tropolones are naturally occurring seven‐membered non‐benzenoid aromatic compounds that possess antiproliferative effects in a wide array of cancer cell types. MO‐OH‐Nap is an α‐substituted tropolone that has activity as an iron chelator. Here, we demonstrate that MO‐OH‐Nap activates all three arms of the unfolded protein response (UPR) pathway and induces apoptosis in a panel of human OS cell lines. Co‐incubation with ferric chloride or ammonium ferrous sulfate completely prevents the induction of apoptotic and UPR markers in MO‐OH‐Nap‐treated OS cells. MO‐OH‐Nap upregulates transferrin receptor 1 (TFR1) protein levels, as well as TFR1, divalent metal transporter 1 (DMT1), iron‐regulatory proteins (IRP1, IRP2), ferroportin (FPN), and zinc transporter 14 (ZIP14) transcript levels, demonstrating the impact of MO‐OH‐Nap on iron‐homeostasis pathways in OS cells. Furthermore, MO‐OH‐Nap treatment restricts the migration and invasion of OS cells in vitro. Lastly, metabolomic profiling of MO‐OH‐Nap‐treated OS cells revealed distinct changes in purine and pyrimidine metabolism. Collectively, we demonstrate that MO‐OH‐Nap‐induced cytotoxic effects in OS cells are dependent on the tropolone's ability to alter cellular iron availability and that this agent exploits key metabolic pathways. These studies support further evaluation of MO‐OH‐Nap as a novel treatment for OS.
Ultraviolet spectra determination and computational analysis of 44 E/Z steroid isomers in dried blood spot
Authors: Yan Xiya , Yan Siyu , Chang Wei , Wen Chao , Zhang Lisi , Wang Zhanliang , Yang Sheng 
Published: November 2023

AbstractThe dried blood spot (DBS) is a novel alternative matrix used in 2022 Beijing Winter Olympics and Paralympics. It is capable of distinguishing anabolic androgenic steroid (AAS) esters without the gas chromatography–combustion–isotope ratio mass spectrometry (GC‐C‐IRMS) confirmation. In this study, a method for detection of 22 anabolic steroid esters in DBS based on ultra‐high liquid chromatography–mass spectrometry (UPLC‐MS) with parallel reaction monitoring (PRM) was developed and validated. Methoxylamine was used as the derivatization reagent to improve the sensibility. Specificity, limit of detection (LOD), linearity, stability, robustness, and carryover were evaluated. Steroid esters are nine testosterone esters, six nandrolone esters, five boldenone esters, methenolone enanthate, and trenbolone acetate. UV spectra were determined by HPLC. And density functional theory (DFT) calculation methods could provide theoretical UV spectra data. Three basis set of B3LYP/6‐31G(d), B3LYP/6‐31+G(d, p), and WB97XD/6‐31+G(d, p) were used for the geometry optimizations and TD‐DFT calculation. The average deviation (%RD) of B3LYP/6‐31+G(d) for all 44 ester oximes are less than 3.0%. This study for the first time provides a method to tentatively identify the 44 E/Z configurations of steroid oxime products.
Human intestinal organoids: Modeling gastrointestinal physiology and immunopathology — current applications and limitations
Authors: Flood Peter , Hanrahan Naomi , Nally Ken , Melgar Silvia 
Published: November 2023

AbstractHuman intestinal organoids are an ideal model system for studying gastrointestinal physiology and immunopathology. Altered physiology and mucosal immune response are hallmarks of numerous intestinal functional and inflammatory diseases, including inflammatory bowel disease (IBD), coeliac disease, irritable bowel syndrome (IBS), and obesity. These conditions impact the normal epithelial functions of the intestine, such as absorption, barrier function, secretion, and host–microbiome communication. They are accompanied by characteristic intestinal symptoms and have significant societal, economic, and healthcare burdens. To develop new treatment options, cutting‐edge research is required to investigate their etiology and pathology. Human intestinal organoids derived from patient tissue recapitulate the key physiological and immunopathological aspects of these conditions, providing a promising platform for elucidating disease mechanisms. This review will summarize recent reports on patient‐derived human small intestinal and colonic organoids and highlight how these models have been used to study intestinal epithelial functions in the context of inflammation, altered physiology, and immune response. Furthermore, it will elaborate on the various organoid systems in use and the techniques/assays currently available to study epithelial functions. Finally, it will conclude by discussing the limitations and future perspectives of organoid technology.
Synthesis of Penta‐ and Tetrasubstituted Quercetins and Their Fluorescent Properties
Authors: Kim Yerim , Kim Yongju 
Published: November 2023

AbstractQuercetin contains five hydroxy groups (OH) at positions 3, 5, 7, 3′, and 4′. The selective reaction of a hydroxy group in quercetin is an important strategy for the modulation of various properties of the derivatives. Herein, we report the synthesis of selective quercetin derivatives, wherein the oligoether chains were linked to the hydroxyl groups. Interestingly, the penta‐substituted quercetin derivative exhibited a higher fluorescence intensity than the tetra‐substituted one. The fluorescence behavior of synthetic derivatives was investigated using solvatochromism, molecular aggregations, computational calculations, and hydrogen bonds with solvents. The fluorescent penta‐substituted quercetin derivative did not show any cytotoxicity up to 600 μM concentration, showing a novel biocompatible fluorescent molecule.