bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular core–shell structure design: Facilitating delayed fluorescence in aggregates toward highly efficient solution‐processed OLEDs
Authors: Liu Dan , Zhang Meng , Tian Wenwen , Jiang Wei , Sun Yueming , Zhao Zheng , Tang Ben Zhong 
Published: January 2022

AbstractLight has been sought and explored by human since ancient times. As the most important form of light, fluorescence is significant to applications in bioimaging and optoelectronic devices. However, fluorescence quenching problem constitutes a serious bottleneck in materials creation. Inspired from the core–shell structure in nature, we report an effective strategy to overcome this long‐standing problem by utilizing a molecular core–shell structure. With an emissive core and multifunctional shell fragments, these compounds show aggregation‐induced delayed fluorescence (AIDF) properties by restricting singlet oxygen (1O2) generation and suppressing the triplet–triplet annihilation (TTA). Protected by the functional shell, the aggregation‐induced emission luminogens (AIEgens) exhibit strong emission with high photoluminescent quantum yield and exciton utilization. Furthermore, because the shell materials can form exciplex with electron‐transport materials, the fully solution‐processed organic light‐emitting diodes (OLEDs) based on these core–shell materials show low turn‐on voltages, excellent device performance with current efficiency of 61.4 cd A–1 and power efficiency of 42.8 lm W–1, which is a record‐breaking efficiency based on all‐solution processed organic multilayer systems among the AIE‐OLEDs so far. This simple visualization strategy based on molecular core–shell structure provides a promising platform for AIEgens used in the fully wet‐processed optoelectronic field.
Kinetic and thermodynamic control of tetraphenylethene aggregation‐induced emission behaviors
Authors: Nie Xiancheng , Huang Wenhuan , Zhou Dingcheng , Wang Tao , Wang Xiao , Chen Biao , Zhang Xuepeng , Zhang Guoqing 
Published: January 2022

AbstractMany aggregation‐induced emission (AIE) systems exhibit broad and structureless luminescence emission spectra resembling the Gaussian distribution, which is likely due to kinetically locked molecular conformers in the condensed phase. To verify the hypothesis, a series of tetraphenylethene (TPE) derivatives are synthesized and characterized as aqueous nanoparticle suspensions. It is found that the unsubstituted TPE exhibits reduced fluorescence intensity accompanied by a blueshift of the emission maximum, after the temperature of the aqueous suspension is elevated and cooled to room temperature again. For a naphthalimide‐substituted TPE compound, thermal treatment of the AIE aqueous suspension results in complete, irreversible aggregation‐caused quenching (ACQ) of fluorescence, which can be restored by a redissolving‐precipitation process of thermally treated aggregates. The phenomenon is ascribed as a relative population shift of a kinetic AIE (k‐AIE) state to a thermodynamic AIE (t‐AIE) or ACQ state, evidenced by differential scanning calorimetry, dynamic light scattering, and scanning electron microscopy. The phenomenon may be universal for many other AIE systems and could be explored as stimuli‐responsive materials.
A Facile and Unprecedented Route to a Library of Thermostable Formaldehyde‐Derived Polyesters: Highly Active and Selective Copolymerization of Cyclic Acetals and Anhydrides
Authors: Zhang Xun , Zhang Chengjian , Zhang Xinghong 
Published: January 2022

AbstractThe development of new strategies for producing polyesters can expand the category of biodegradable materials. Here, we disclose the alternating copolymerization of cyclic acetals (made from formaldehyde and diols) and anhydrides for the first time, using 5 cyclic acetals and 9 anhydrides to afford 45 unprecedented polyesters. At a wide range of reaction temperatures (25 to 140 °C), diverse metal‐free Lewis/Brønsted acids are highly active catalysts for these copolymerizations via the cationic mechanism. Of interest, kinetic studies indicate that the copolymerization of cyclic acetals and anhydrides shifts the chemical equilibrium of “cyclic acetals ⇌ polyacetals” to the left, thus yielding polyesters with up to >99 % alternating degree. The obtained polyesters possess high oxygen content ([O] : [C] up to 6 : 7), molecular weights of 2.0–33.3 kDa, narrow polydispersities of 1.2–1.5, low glass transition temperatures (−64 to −27 °C), as well as high decomposition temperatures (275 to 324 °C).
A Fluorescent Probe Targeting Mitochondria and Lipid Droplets for Visualization of Cell Death
Authors: Zhu Lin , Huang Ling , Su Wanting , Liang Xing , Lin Weiying 
Published: January 2022

AbstractSubcellular organelles play an indispensable role in various biological process. Therefore, it is very important to develop fluorescent probe to identify different organelles and their dynamics in specific biological processes. Herein, a new fluorescent probe has been prepared, which can be used to visualize cell death via targeting mitochondria and lipid droplets (LDs) in dual‐emission channels. The new probe appeared in the form of ring‐open in mitochondria to emit strong yellow fluorescence in living cells, while it carried out intramolecular spiral cyclization reaction to target LDs and give a cyan emission in dead cells. The performance of cell death in the UV‐exposure, lipopolysaccharide and hydrogen peroxide treatment is successfully revealed by the probe. The probe has great potential in dual colour biomedical imaging of dynamic changes of mitochondria and LDs in biological processes.
Effects of eszopiclone on sleep quality and cognitive function in elderly patients with Alzheimer's disease and sleep disorder: A randomized controlled trial
Authors: Huo Shuyu , Cheng Lin , Li Shuying , Xu Fulu 
Published: January 2022

AbstractObjectiveTo investigate the effects of eszopiclone on sleep quality and cognitive function in elderly patients with Alzheimer's disease (AD) and sleep disorders.MethodsThis study was a prospective study of 96 elderly patients with AD and sleep disturbance treated in our hospital from April 2019 to December 2020. All patients were divided into a control group (48 patients, given alprazolam tablets) and a study group (48 patients, given eszopiclone) according to the random number table method.ResultsAfter treatment, compared with the control group, the study group had lower sleep latency, daytime function, sleep disturbance, sleep efficiency, sleep quality, sleeping time, and hypnotic medication scores (p < .05). After treatment, sleep progression and sleep architecture improvement were more obvious in the study group compared with the control group (p < .05). After treatment, compared with the control group, the rhythm disturbance, psychotic disorder, hallucination, phobic anxiety, and disorder in the study group improved more significantly (p < .05). After treatment, compared with the control group, the scores of orientation, attention, memory, calculation, recall, and language ability in the study group improved more significantly (p < .05). After treatment, the scores of the physical life self‐care scale and instrumental activities of daily living scale in the study group were improved more obviously compared with the control group, with significant differences (p < .05).ConclusionEszopiclone can effectively improve the quality of sleep and cognitive function in elderly patients with AD and sleep disorder.
Spectroscopic and in vitro Investigations of Fe2+/α‐Ketoglutarate‐Dependent Enzymes Involved in Nucleic Acid Repair and Modification
Authors: Schmidl David , Lindlar né Jonasson Niko S. W. , Menke Annika , Schneider Sabine , Daumann Lena J. 
Published: January 2022

AbstractThe activation of molecular oxygen for the highly selective functionalization and repair of DNA and RNA nucleobases is achieved by α‐ketoglutarate (α‐KG)/iron‐dependent dioxygenases. Of special interest are the human homologues AlkBH of Escherichia coli EcAlkB and ten‐eleven translocation (TET) enzymes. These enzymes are involved in demethylation or dealkylation of DNA and RNA, although additional physiological functions are continuously being found. Given their importance, studying enzyme‐substrate interactions, turnover and kinetic parameters is pivotal for the understanding of the mode of action of these enzymes. Diverse analytical methods, including X‐ray crystallography, UV/Vis absorption, electron paramagnetic resonance (EPR), circular dichroism (CD) and nuclear magnetic resonance (NMR) spectroscopy have been employed to study the changes in the active site and the overall enzyme structure upon substrate, cofactor, and inhibitor addition. Several methods are now available to assess the activity of these enzymes. By discussing limitations and possibilities of these techniques for EcAlkB, AlkBH and TET we aim to give a comprehensive synopsis from a bioinorganic point‐of‐view, addressing researchers from different disciplines working in the highly interdisciplinary and rapidly evolving field of epigenetic processes and DNA/RNA repair and modification.
Rare complication of nadroparin injections: Skin necrosis and heparin‐induced thrombocytopenia syndrome
Authors: Malinauskiene Laura , Aleksandraviciute Laima , Kryzauskaite Lina , Savlan Ilona 
Published: January 2022

AbstractWe described a rare case of nadroparin‐induced skin necrosis with thrombocytopenia. LMWH therapy is used in thrombosis prophylaxis, it is important to recognize that skin necrosis can be a part of HIT early in its course and change heparin or LMWH to non‐heparin anticoagulants such as direct thrombin III inhibitors or anti‐Xa anticoagulants.
Acetylene Derivatives of Cationic Diazaoxatriangulenes and Diaza [4]Helicenes ‐ Access to Red Emitters and Planar Chiral Stereochemical Traits
Authors: Ondrisek Pavol , Elie Margaux , Pupier Marion , de Aguirre Adiran , Poblador‐Bahamonde Amalia I. , Besnard Céline , Lacour Jérôme 
Published: January 2022

AbstractCationic triangulenes, and related helicenes, constitute a rich class of dyes and fluorophores, usually absorbing and emitting light at low energy, in the orange to red domains. Recently, to broaden the scope of applications, regioselective late‐stage functionalizations on these core moieties have been developed. For instance, with the introduction of electron‐donating groups (EDGs), important bathochromic shifts are observed pushing absorptions towards or in the near‐infrared (NIR) spectral domain while emissive properties disappear essentially completely. Herein, to upset this drawback, acetylene derivatives of cationic diazaoxa triangulenes (DAOTA) and [4]helicenes are prepared (16 examples). Contrary to other EDG‐functionalized derivatives, C≡C− functionalized products remain broadly fluorescent, with red‐shifted absorptions (Δλabs up to 25 nm) and emissions (Δλem up to 73 nm, ΦPL up to 51 %). Quite interestingly, a general dynamic stereoisomerism phenomenon is evidenced for the compounds derived from achiral DAOTA cores. At low temperature in 1H NMR spectroscopy (218 K), N−CH2 protons become diastereotopic with chemical shifts differences (Δδ) as high as +1.64 ppm. The signal coalescence occurs around 273 K with a barrier of ∼12 kcal mol−1. This phenomenon is due to planar chiral conformations (Sp and Rp configurations), induced by the geometry of the alkyl (n‐propyl) side‐chains next to the acetylenic substituents. Ion pairing studies with Δ‐TRISPHAT anion not only confirm the occurrence of the chiral conformations but evidence a moderate but definite asymmetric induction from the chiral anion onto the cations. Finally, DFT calculations offer a valuable insight on the geometries, the corresponding stereodynamics and also on the very large difference in NMR for some of the diastereotopic protons.
Alkali Metal Based Triimidosulfite Cages as Versatile Precursors for Single‐Molecule Magnets
Authors: Lüert Daniel , Legendre Christina M. , Herbst‐Irmer Regine , Stalke Dietmar 
Published: January 2022

AbstractBased on the potassium [{S(tBuN)2(tBuNH)}2K3(tmeda)‐K3{(HNtBu)(NtBu)2S}2] (1) and sodium precursors [S(tBuN)3(thf)3‐Na3SNa3(thf)3(NtBu)3S] (2), [S(tBuN)3(thf)3Na3{(HNtBu)(NtBu)2S}] (3) and [(tmeda)3S‐{Na3(NtBu)3S}2] (4) the syntheses and magnetic properties of three mixed metal triimidosulfite based alkali‐lanthanide‐metal‐cages [(tBuNH)Dy{K(0.5tmeda)}2{(NtBu)3S}2]n (5) and [ClLn{Na(thf)}2{(NtBu)3S}2] with Ln=Dy (6), Er (7) are reported. The corresponding potassium (1) and sodium (2–4) based cages are characterized through XRD and NMR experiments. Preventing lithium chloride co‐complexation led to a significant increase of SMM performance to previously reported sulfur‐nitrogen ligands. The subsequent DyIII‐complexes 5 and 6 display slow relaxation of magnetization at zero field, with relaxation barriers U=77.0 cm−1 for 5, 512.9 and 316.3 cm−1 for 6, respectively. Significantly, the latter complex 6 also exhibits a butterfly‐shaped hysteresis up to 7 K.
A First‐Principles Study of CO2 Hydrogenation on a Niobium‐Terminated NbC (111) Surface
Authors: Sarabadani Tafreshi Saeedeh , Ranjbar Mahkameh , Taghizade Narges , Panahi S. F. K. S. , Jamaati Maryam , de Leeuw Nora H. 
Published: January 2022

AbstractAs promising materials for the reduction of greenhouse gases, transition‐metal carbides, which are highly active in the hydrogenation of CO2, are mainly considered. In this regard, the reaction mechanism of CO2 hydrogenation to useful products on the Nb‐terminated NbC (111) surface is investigated by applying density functional theory calculations. The computational results display that the formation of CH4, CH3OH, and CO are more favored than other compounds, where CH4 is the dominant product. In addition, the findings from reaction energies reveal that the preferred mechanism for CO2 hydrogenation is thorough HCOOH*, where the largest exothermic reaction energy releases during the HCOOH* dissociation reaction (2.004 eV). The preferred mechanism of CO2 hydrogenation towards CH4 production is CO2*→t,c‐COOH*→HCOOH*→HCO*→CH2O*→CH2OH*→CH2*→CH3*→CH4*, where CO2*→t,c‐COOH*→HCOOH*→HCO*→CH2O*→CH2OH*→CH3OH* and CO2*→t,c‐COOH*→CO* are also found as the favored mechanisms for CH3OH and CO productions thermodynamically, respectively. During the mentioned mechanisms, the hydrogenation of CH2O* to CH2OH* has the largest endothermic reaction energy of 1.344 eV.
Measuring mRNA Decay with Roadblock‐qPCR
Authors: Watson Maegan J. , Thoreen Carson C. 
Published: January 2022

AbstractThe control of mRNA stability is fundamental to gene regulation, and a deeper understanding of this post‐transcriptional regulatory step can provide key insights into gene function. Measuring mRNA half‐lives directly, however, is challenging. The most common strategies for evaluating mRNA stability and decay involve blocking general transcription and then measuring the decline in mRNA levels over time. The downside of these approaches, however, is that they severely impact cell function and viability, indirectly perturbing gene expression. Here, we describe Roadblock‐qPCR, a simple method for measuring mRNA decay kinetics in living cells that is both economical and quick. Cells are first incubated with the nucleoside analog 4‐thiouridine (4sU), which is readily incorporated into nascent mRNAs during transcription. RNA is then extracted and treated with N‐ethylmaleimide (NEM), a sulfhydryl alkylating agent that selectively modifies 4sU, before proceeding to cDNA synthesis. Because the NEM‐modified 4sU creates a chemical “roadblock” that interferes with reverse transcription, this treatment ultimately results in the depletion of the nascent 4sU‐containing transcripts from the cDNA pool. As such, the decay rate of the non‐4sU‐labeled pre‐existing mRNAs can be monitored by quantitative PCR (qPCR). In combination with spike‐in standards, this approach can be used to efficiently and accurately measure the half‐lives of endogenous mRNAs with a wide range of stabilities, while avoiding the artifacts of transcription shutoff strategies. © 2022 Wiley Periodicals LLC.Basic Protocol: Roadblock‐qPCRSupport Protocol: Synthesis of spike‐in mRNA
Iterative Newton hard thresholding‐based approach for cosparse recovery of mmWave massive MIMO channels
Authors: Hajjaj Moufida 
Published: January 2022

SummaryMillimeter wave (mmWave) massive multiple‐input multiple‐output (MIMO) channels are cosparse in nature. These cosparse channels share common cosparsity properties, which is interesting when it comes to estimating a large number of mmWave mMIMO channels. Therefore, the channel estimation (CE) problem can be solved by exploiting the cosparsity and common cosupport properties. Specifically, the CE problem can be formulated as a cosparse signal recovery problem, which can be solved using an analysis operator (AO) and the iterative hard thresholding (IHT) algorithm. Prior analysis‐based compressive sensing (ACS) CE techniques adopt an overcomplete AO, which leads usually to a suboptimal solution that cannot guarantee CE accuracy. In this paper, we firstly propose a projected subgradient (PSG) scheme for AO learning. Then, using the previously learned AO, we propose an iterative Newton hard thresholding (INHT)‐based ACS‐CE algorithm. The effectiveness of the proposal has been proven by computational complexity analysis and numerical simulations.
Intestinal barrier integrity in anorexia nervosa (a pilot study)
Authors: Kleppe Malin M. , Brønstad Ingeborg , Lied Gülen A. , Danielsen Yngvild , Rekkedal Guro Å. , Kessler Ute 
Published: January 2022

AbstractObjectiveThere is no conclusive evidence for involvement of intestinal barrier alteration in the etiology of anorexia nervosa (AN). The aims of this pilot study were to identify serum markers of intestinal barrier integrity in patients with AN and to determine the relationships between those markers and body mass index (BMI), eating disorder symptoms, gastrointestinal complaints, and liver synthesis function (international normalized ratio [INR]).MethodTwenty‐five outpatients with AN prior to starting treatment and 28 healthy controls (HC) were assessed. BMI and serum markers of intestinal barrier integrity were measured, including zonulin family peptides (ZFP), lipopolysaccharide‐binding protein (LBP), and intestinal fatty‐acid‐binding protein (i‐FABP). Eating disorder symptoms and gastrointestinal complaints were evaluated via questionnaires.ResultsThe serum ZFP concentration was significantly lower in patients with AN than in HC (44.2 [7.4] vs. 49.2 [5.6] ng/ml, mean [standard deviation], p = .008). LBP and i‐FABP did not differ between the two groups. In patients with AN, serum ZFP was significantly predicted by BMI (β = 0.479, p = .009), age (β = 0.411, p = .020), and INR (β = −0.388, p = .028). No such associations were found for either gastrointestinal complaints or eating disorder symptoms.DiscussionAbnormal levels of serum ZFP were observed in patients with AN. Further studies with other assessment methods are warranted to examine intestinal barrier function in AN.Clinical Trial RegistrationClinicalTrials.gov Identifier: NCT02745067.
Optimizing the surgical management of MRI‐negative epilepsy in the neuromodulation era
Authors: McGrath Hari , Mandel Mauricio , Sandhu Mani Ratnesh S. , Lamsam Layton , Adenu‐Mensah Nana , Farooque Pue , Spencer Dennis D. , Damisah Eyiyemisi C. 
Published: January 2022

AbstractObjectiveTo evaluate the role of intracranial electroencephalography monitoring in diagnosing and directing the appropriate therapy for MRI‐negative epilepsy and to present the surgical outcomes of patients following treatment.MethodsRetrospective chart review between 2015‐2021 at a single institution identified 48 patients with no lesion on MRI, who received surgical intervention for their epilepsy. The outcomes assessed were the surgical treatment performed and the International League Against Epilepsy seizure outcomes at 1 year of follow‐up.ResultsEleven patients underwent surgery without invasive monitoring, including vagus nerve stimulation (10%), deep brain stimulation (8%), laser interstitial thermal therapy (2%), and callosotomy (2%). The remaining 37 patients received invasive monitoring followed by resection (35%), responsive neurostimulation (21%), and deep brain stimulation (15%) or no treatment (6%). At 1 year postoperatively, 39% were Class 1‐2, 36% were Class 3‐4 and 24% were Class 5. More patients with Class 1‐2 or 3‐4 outcomes underwent invasive monitoring (100% and 83% respectively) compared with those with poor outcomes (25%,P < .001). Patients with Class 1‐2 outcomes more commonly underwent resection or responsive neurostimulation: 69% and 31%, respectively (P < .001).SignificanceThe optimal management of MRI‐negative focal epilepsy may involve invasive monitoring followed by resection or responsive neurostimulation in most cases, as these treatments were associated with the best seizure outcomes in our cohort. Unless multifocal onset is clear from the noninvasive evaluation, invasive monitoring is preferred before pursuing deep brain stimulation or vagal nerve stimulation directly.
The landscape of eating disorders research: A 40‐year bibliometric analysis
Authors: He Jinbo , Kang Jingshi , Sun Shaojing , Cooper Marita , Zickgraf Hana F. , Zhai Yujia 
Published: January 2022

AbstractObjectiveEmploying bibliometric methods, the present study aimed to map out the general landscape of existing research on eating disorders (EDs) over the past decades.MethodUsing the Web of Science database, we retrieved 41,917 research articles related to EDs published from 1981 to 2020. After removing those without an abstract, a total of 37,446 articles were retained. The study outlined the distribution of scholarship by time, languages, regions, and countries, and identified major research lines by applying latent topic modelling.ResultsResults revealed a general increasing trend in the number of publications on EDs research, and researchers from Western countries dominated the production of related scholarship. The distribution of published scholarship varied significantly by languages, regions, and countries. Seven main research topics emerged from past research (i.e., animal studies of food intake, risk factors and at‐risk groups for eating disorders, body image in eating disorders, studies of cognition and brain in eating disorders, symptomatology and comorbidity of eating disorders, body weight and nutrition status in eating disorders, and treatment of eating disorders), with different topics showing unique research trends across the years.ConclusionsThis bibliometric analysis presents the most complete up‐to‐date overview on published research on EDs. While there is an increasing trend for EDs research, the available research evidence is generally from Western countries; thus, it is suggested that cooperation on EDs research should be strengthened between Western countries and other countries in the future.
Subphthalocyanine–triangulene dyads: Property tuning for light‐harvesting device applications
Authors: Rasmussen Mads Georg , Jespersen Malte Frydenlund , Blacque Olivier , Mikkelsen Kurt V. , Juríček Michal , Nielsen Mogens Brøndsted 
Published: January 2022

AbstractOrganic photovoltaics relies on the development of stable chromophores and redox‐active organic molecules with tailor‐made HOMO/LUMO energies. Here, we present the synthesis and properties of novel dyads composed of boron subphthalocyanine (SubPc) and triangulene units, connected either at the peripheral position of the subphthalocyanine or at the axial boron. The connectivity has strong implications for the absorption and fluorescence properties of the dyads, as well as their redox properties. While the SubPc unit has a bowl shape, triangulene is a planar structural unit that allows dyads to dimerize in the solid state on account of π‐stacking interactions as shown by X‐ray crystallography of one of the dyads. The electronic properties were also studied computationally by density functional theory methods. Excellent agreement between experimental and computed data were obtained, showing that our computational method is a strong tool in the rational design of optimum molecules to ultimately obtain finely tuned molecules for device applications.