bluuebunny/crossref_metadata_2025_split huggingface dataset:
Once‐Weekly Subcutaneous Delivery of Polymer‐Linked Rotigotine (SER‐214) Provides Continuous Plasma Levels in Parkinson's Disease Patients
Authors: Olanow C. Warren , Standaert David G. , Kieburtz Karl , Viegas Tacey X. , Moreadith Randall 
Published: April 2020

AbstractBackgroundExtensive scientific and clinical evidence indicates that continuous delivery of a dopaminergic agent is associated with significant reduction in motor complications compared with intermittent oral dosing with the same agent. There has been an intensive effort to develop a method of providing continuous plasma levels of a dopaminergic agent that avoids the need for surgical therapy or an infusion system. Studies in MPTP‐treated monkeys demonstrate that once‐weekly injections of polymer‐linked rotigotine provide continuous plasma levels and antiparkinsonian benefits.MethodsWe performed a multicenter open‐label, multiple‐ascending‐dose‐ranging cohort study to evaluate the safety, tolerability, and pharmacokinetics of polymer‐linked rotigotine in PD patients.ResultsA total of 19 patients were evaluated in 4 cohorts in doses of 20 50, 100, and 200 mg of polymer‐linked rotigotine, administered subcutaneously once weekly. The study demonstrated remarkably stable dose‐related plasma levels of total and free rotigotine with no accumulation or dumping. Treatment was generally safe and well tolerated. One subject in the 50‐mg group discontinued because of hives, which cleared rapidly with antihistamine treatment.ConclusionsThis study demonstrates that once‐a‐week subcutaneous administration of polymer‐linked rotigotine provides relatively constant plasma levels of rotigotine and is safe and well tolerated. These findings suggest that this convenient method of delivery of rotigotine has the potential to treat or prevent motor complications in PD patients without the need for a surgical procedure or an infusion system. This approach may also prove applicable to other agents such as apomorphine that can be linked to this polymer © 2020 International Parkinson and Movement Disorder Society
Multiomics Analyses Identify Genes and Pathways Relevant to Essential Tremor
Authors: Liao Calwing , Sarayloo Faezeh , Rochefort Daniel , Houle Gabrielle , Akçimen Fulya , He Qin , Laporte Alexandre D. , Spiegelman Dan , Poewe Werner , Berg Daniela , Müller Stefanie , Hopfner Franziska , Deuschl Günther , Kuhlenbäeumer Gregor , Rajput Alex , Dion Patrick A. , Rouleau Guy A. 
Published: April 2020

AbstractIntroductionThe genetic factors and molecular mechanisms predisposing to essential tremor (ET) remains largely unknown.ObjectiveThe objective of this study was to identify pathways and genes relevant to ET by integrating multiomics approaches.MethodsCase‐control RNA sequencing of 2 cerebellar regions was done for 64 samples. A phenome‐wide association study (pheWAS) of the differentially expressed genes was conducted, and a genome‐wide gene association study (GWGAS) was done to identify pathways overlapping with the transcriptomic data. Finally, a transcriptome‐wide association study (TWAS) was done to identify novel risk genes for ET.ResultsWe identified several novel dysregulated genes, including CACNA1A and SHF. Pathways including axon guidance, olfactory loss, and calcium channel activity were significantly enriched. The ET GWGAS data found calcium ion‐regulated exocytosis of neurotransmitters to be significantly enriched. The TWAS also found calcium and olfactory pathways enriched. The pheWAS identified that the underexpressed differentially expressed gene, SHF, is associated with a blood pressure medication (P = 9.3E‐08), which is used to reduce tremor in ET patients. Treatment of cerebellar DAOY cells with the ET drug propranolol identified increases in SHF when treated, suggesting it may rescue the underexpression.ConclusionWe found that calcium‐related pathways were enriched across the GWGAS, TWAS, and transcriptome. SHF was shown to have significantly decreased expression, and the pheWAS showed it was associated with blood pressure medication. The treatment of cells with propranolol showed that the drug restored levels of SHF. Overall, our findings highlight the power of integrating multiple different approaches to prioritize ET pathways and genes. © 2020 International Parkinson and Movement Disorder Society
Semi‐active ℋ∞ damping optimization by adaptive interpolation
Authors: Tomljanović Zoran , Voigt Matthias 
Published: April 2020

SummaryIn this work we consider the problem of semi‐active damping optimization of mechanical systems with fixed damper positions. Our goal is to compute a damping that is locally optimal with respect to the ‐norm of the transfer function from the exogenous inputs to the performance outputs. We make use of a new greedy method for computing the ‐norm of a transfer function based on rational interpolation. In this paper, this approach is adapted to parameter‐dependent transfer functions. The interpolation leads to parametric reduced‐order models that can be optimized more efficiently. At the optimizers we then take new interpolation points to refine the reduced‐order model and to obtain updated optimizers. In our numerical examples we show that this approach normally converges fast and thus can highly accelerate the optimization procedure. Another contribution of this work is heuristics for choosing initial interpolation points.
p‐Sulfocalix[4]arene functionalized hydrophobically associative polyacrylamide: Flow characteristics and potential application to enhanced oil recovery
Authors: Du Dai‐jun , Pu Wan‐fen , Hu Pan , Liu Zhezhi , Zhang Sheng 
Published: April 2020

AbstractHydrophobically associative polymers have been verified having enhanced oil recovery (EOR) potential. In this paper, a hydrophobically associative polyacrylamide functionalized with p‐sulfocalix[4]arene (denoted as SHPAM) was firstly prepared through redox free‐radical polymerization technique. Then, the water solubility, comprehensive properties, flowing behaviors, and displacement characteristics of SHAPM were investigated. Experimental results illustrated that SHPAM had benign water solubility, thickening ability, salt tolerance, temperature resistance, anti‐shearing performance, thixotropy, and long‐term stability. Also, SHPAM could reduce heterogeneity and extend sweep efficiency. Moreover, the adsorbed and retained SHPAM in porous media owned favorable viscoelasticity, which enhanced microscopic displacement efficiency. All the experiments results revealed that SHPAM has great applicable in enhancing oil recovery.
Proteogenomics‐Guided Evaluation of RNA‐Seq Assembly and Protein Database Construction for Emergent Model Organisms
Authors: Cogne Yannick , Gouveia Duarte , Chaumot Arnaud , Degli‐Esposti Davide , Geffard Olivier , Pible Olivier , Almunia Christine , Armengaud Jean 
Published: April 2020

AbstractProteogenomics is gaining momentum as, today, genomics, transcriptomics, and proteomics can be readily performed on any new species. This approach allows key alterations to molecular pathways to be identified when comparing conditions. For animals and plants, RNA‐seq‐informed proteomics is the most popular means of interpreting tandem mass spectrometry spectra acquired for species for which the genome has not yet been sequenced. It relies on high‐performance de novo RNA‐seq assembly and optimized translation strategies. Here, several pre‐treatments for Illumina RNA‐seq reads before assembly are explored to translate the resulting contigs into useful polypeptide sequences. Experimental transcriptomics and proteomics datasets acquired for individual Gammarus fossarum freshwater crustaceans are used, the most relevant procedure is defined by the ratio of MS/MS spectra assigned to peptide sequences. Removing reads with a mean quality score of less than 17–which represents a single probable nucleotide error on 150‐bp reads–prior to assembly, increases the proteomics outcome. The best translation using Transdecoder is achieved with a minimal open reading frame length of 50 amino acids and systematic selection of ORFs longer than 900 nucleotides. Using these parameters, transcriptome assembly and translation informed by proteomics pave the way to further improvements in proteogenomics.
Vaping associated lung injury: A potentially life‐threatening epidemic in US youth
Authors: Messina Mark D. , Levin Terry L. , Conrad Laura A. , Bidiwala Aneela 
Published: April 2020

AbstractBackgroundThe Center for Disease Control (CDC) has identified a national outbreak in the United States of over 2600 cases of e‐cigarette or vaping product use‐associated lung injury (EVALI), including 60 deaths as of January 2020. We describe our experience in six adolescents.Material and MethodsWe identified all pediatric patients diagnosed with EVALI by CDC guidelines over a 6‐month period at our health system. Clinical presentation, hospital course, and imaging were reviewed.ResultsSix patients were identified (three males, three females; median age 18.5 years). Presenting symptoms varied, including constitutional, gastrointestinal, neurologic, and respiratory complaints with pulmonary symptomatology becoming the dominant feature of the illness. Three patients required intensive care unit‐level care, one of whom expired 36 days after presentation. Three had bronchoalveolar lavage, two with evidence of lipid‐laden macrophages. Four had pulmonary function testing with various results. Admission chest radiographs in all revealed bibasilar interstitial infiltrate which rapidly progressed. Five patients had computed tomography chest imaging demonstrating: confluent pulmonary infiltrates with subpleural sparing (n = 2), generalized ground‐glass opacities (n = 1), patchy ground‐glass opacities (n = 1) and a reticulonodular pattern (n = 1). Brain magnetic resonance imaging (MRI) obtained in two patients was normal in one and showed a focal signal abnormality in the corpus callosum in one.ConclusionWe describe the clinical course and radiologic findings of EVALI in our adolescent patients and present a new finding in the brain not yet described in the literature. Given the diversity of presenting symptoms, a high level of suspicion for EVALI is necessary for patients reporting vaping product use regardless of the presence of pulmonary complaints. Brain MRI should be strongly considered in patients with neurologic symptoms.
Estimation of group means in generalized linear mixed models
Authors: Duan Jiexin , Levine Michael , Luo Junxiang , Qu Yongming 
Published: April 2020

SummaryIn this study, we investigate the concept of the mean response for a treatment group mean as well as its estimation and prediction for generalized linear models with a subject‐wise random effect. Generalized linear models are commonly used to analyze categorical data. The model‐based mean for a treatment group usually estimates the response at the mean covariate. However, the mean response for the treatment group for studied population is at least equally important in the context of clinical trials. New methods were proposed to estimate such a mean response in generalized linear models; however, this has only been done when there are no random effects in the model. We suggest that, in a generalized linear mixed model (GLMM), there are at least two possible definitions of a treatment group mean response that can serve as estimation/prediction targets. The estimation of these treatment group means is important for healthcare professionals to be able to understand the absolute benefit vs risk. For both of these treatment group means, we propose a new set of methods that suggests how to estimate/predict both of them in a GLMMs with a univariate subject‐wise random effect. Our methods also suggest an easy way of constructing corresponding confidence and prediction intervals for both possible treatment group means. Simulations show that proposed confidence and prediction intervals provide correct empirical coverage probability under most circumstances. Proposed methods have also been applied to analyze hypoglycemia data from diabetes clinical trials.
Density functional theory investigation of structure, stability, and glycerol/hydrogen adsorption on Cu, CuZn, and CuZnO clusters
Authors: Singh Ram , Biswas Prakash , Jha Prateek K. 
Published: April 2020

AbstractExtensive density functional theory calculations are performed to analyze the structure and activity of Cu and CuZn/CuZnO clusters containing up to 10 Cu/Zn atoms. The minimum‐energy structures of CuZn and CuZnO clusters are found by doping minimum‐energy pure Cu clusters with Zn atom(s) and ZnO molecule(s), respectively, followed by energy minimization of the resultant clusters. Odd‐even alteration in properties that determine cluster stability/activity is observed with cluster size, which may be attributed to the presence/absence of unpaired electrons. The difference in behavior between Zn/ZnO doping can be interpreted in terms of charge transfer between atoms. Charge transfers from Zn to Cu in the CuZn clusters and from Cu and Zn atoms to O atom in Cu‐ZnO clusters, which implies that the Cu atom acts as an electron acceptor in the CuZn clusters but not in the CuZnO clusters. Finally, the adsorption energies of glycerol and hydrogen on CuZn/CuZnO clusters are computed in the context of the use of CuZn/CuZnO catalysts in glycerol hydrogenolysis. Glycerol adsorption is generally found to be more energetically favorable than hydrogen adsorption. Dual‐site glycerol adsorption is also observed in some of the planar clusters. Fundamental insights obtained in this study can be useful in the design of CuZn/CuZnO catalysts.
Peripheral pulmonary hamartoma with haemoptysis from the non‐adjacent bronchus
Authors: Kitamura Naoya , Ojima Toshihiro 
Published: April 2020

AbstractWe report a rare case of peripheral pulmonary hamartoma that caused haemoptysis from the non‐adjacent bronchus. A 54‐year‐old man was admitted to our hospital because of haemoptysis. Contrast‐enhanced chest computed tomography revealed a tumour measuring 25 × 24 mm in the left lower lobe. Fluid was observed around the pulmonary artery in addition to the consolidation of the lingular segment of the left lung. Bronchoscopy confirmed continuous bleeding from the lingular bronchus, and surgery was planned. The patient was promptly diagnosed with pulmonary hamartoma intraoperatively, and tumour enucleation was performed. The haemoptysis resolved after surgery, and the patient was discharged on post‐operative day 10. As peripheral hamartoma does not generally cause haemoptysis, we suspected that the haemoptysis occurred due to the unusual condition in which the bleeding from the tumour reached the non‐adjacent lingular branch along the pulmonary artery sheath.
Click Synthesis of 1,2,3‐Triazoles‐Linked 1,2,4‐Triazino[5,6‐b]indole, Antibacterial Activities and Molecular Docking Studies
Authors: Keivanloo Ali , Sepehri Saghi , Bakherad Mohammad , Eskandari Mahboobe 
Published: April 2020

AbstractThe reaction of 4,5‐dihydro‐3H‐1,2,4‐triazino[5,6‐b]indole‐3‐thion with propargyl bromide, in EtOH at 80 °C, produces mono‐propargylated 3‐(prop‐2‐one‐1‐ylthio)‐5H‐1,2,4‐triazino[5,6‐b]indole. Further reaction of this compound with propargyl bromide, in DMF in the presence of K2CO3 at room temperature, produced successfully double‐propargylated 5‐(prop‐2‐one‐1‐yl)‐3‐(prop‐2‐one‐1‐ylthio)‐5H‐1,2,4‐triazino[5,6‐b]indole. The Cu(I)‐catalyzed click reaction of these propargylated compounds with different aromatic azides at room temperature, afforded new derivatives of 1,2,3‐triazoles‐linked 1,2,4‐triazino[5,6‐b]indole with high yields. The in vitro antibacterial activities of the novel 1,2,3‐triazoles were screened. The binding modes of these compounds to three enzyme active sites were determined by a molecular docking study. Docking studies demonstrated the most potent compounds; and binding maps revealed that the activities might be attributed to the hydrophobic interactions, hydrogen bonds, cation‐π and π‐π contacts with the active sites.
The Role of Metal Species on Aldehyde Hydrogenation over Co13 and Ni13 Supported on γ‐Al2O3(110) Surfaces: A Theoretical Study
Authors: Salaeh Rusrina , Faungnawakij Kajornsak , Kungwan Nawee , Hirunsit Pussana 
Published: April 2020

AbstractFatty acid transformation to alkane in biomass conversion process goes through deoxygenation (DO) reaction with two possible pathways of hydrodeoxygenation (HDO) or decarbonylation (DCO) that yield different alkane products and water or CO as by‐products. The favorability of aldehyde hydrogenation step can lead to HDO route rather than DCO route. The Co/γ‐Al2O3 catalyst was previously observed experimentally to promote HDO and DCO routes while mostly DCO route was promoted on Ni/γ‐Al2O3 catalyst. This work, we performed density functional theory (DFT) calculations to understand the role of metal species Co and Ni supported on γ‐Al2O3 on aldehyde hydrogenation which could lead to the occurrence of HDO. The structural and electronic properties of supported Co13 and Ni13 clusters on γ‐Al2O3 were examined. The perimeter site between the metal cluster and Al atom of γ‐Al2O3 support is found to be an active site on both catalysts. The calculations suggest that Co13/γ‐Al2O3 is more kinetically and thermodynamically favorable for acetaldehyde hydrogenation than Ni13/γ‐Al2O3. The metal clusters also act as active sites for H2 dissociation. The supported Co13 cluster is oxidized at a higher degree results in higher negative charges of dissociated H2 while those on supported Ni13 shows heterolytic cleavage of H2 yielding both positive and negative hydrogen charges. This behavior could facilitate lower energy barrier of hydrogenation observed on Co13/γ‐Al2O3 catalyst.
Synthesis of Novel Furo[3,2‐c]coumarin Derivatives through Multicomponent [4+1] Cycloaddition Reaction Using ZnO/FAp as a Sustainable Catalyst
Authors: Kerru Nagaraju , Lalitha Gummidi Ms. , Kumar Gangu Kranthi , Maddila Suresh , Jonnalagadda Sreekantha B. 
Published: April 2020

AbstractAn efficient green protocol is developed for the synthesis of ten new furo[3,2‐c]coumarin derivatives employing zinc oxide loaded on fluorapatite (ZnO/FAp) as catalyst. The three‐component one‐pot condensation occurs between the 4‐hydroxycoumarin, isocyanide and selected aldehyde in ethanol solvent at room temperature. Excellent yields (94‐98 %) of target products in 16‐20 min reaction time is the attractive feature. As‐synthesized catalysts and organic compounds were fully established by powder‐XRD, TEM, SEM, EDX, FT‐IR, BET, HRMS, 1H NMR and 13C NMR analysis. The catalyst is recyclable up to five times with high efficacy and marginal loss of activity. The reaction facilitated 98 % of the atom economy and 100 % carbon efficiency. Other advantages of the protocol are mild reaction conditions, easy‐workup, green solvent, catalyst reusability, and chromatography free products.
Synthesis of 2‐Trifluoromethyl Quinolines from α,β‐Unsaturated Trifluoromethyl Ketones: Regiochemistry Reversal Comparing to the Standard Skraup‐Doebner‐Von Miller Synthesis
Authors: Pan Qian‐Wen , Wang Jun‐Hu , Wang Qi , Li Hui‐Jing , Wu Yan‐Chao 
Published: April 2020

AbstractCondensation of α,β‐unsaturated trifluoromethyl ketones with anilines in trichloroacetic acid (TCA) afforded 2‐trifluoromethyl quinolines in moderate to excellent yields, in which a reversal of the regiochemistry of the standard Skraup‐Doebner‐Von Miller quinoline synthesis was achieved. Our endeavors will lead to a better understanding of the controlling elements behind the structural motif.
Cross‐Linked Surface Engineering to Improve Iron Porphyrin Catalytic Activity
Authors: Zhang Dongxu , Liu Jia , Du Peiyao , Zhang Zhen , Ning Xingming , Deng Yang , Yin Dan , Chen Jing , Han Zhengang , Lu Xiaoquan 
Published: April 2020

AbstractQuasi‐two‐dimensional (QTD) structural heterogeneous catalysts have attracted a broad interest in multidisciplinary research due to their unique structure, preeminent surface properties and outstanding catalytic performance. Herein, a HZIF@TCPP‐Fe/Fe heterogeneous catalyst based on cross‐linked surface engineering is constructed by supporting QTD TCPP‐Fe/Fe ultra‐thin metallized film (≈2 nm) on hollow skeleton of zeolite imidazolate frameworks. The designed QTD structure exhibits high efficiency for the catalytic oxidative dehydrogenation of aromatic hydrazides reactions which is the key technology in various industrial processes. Taking advantage of QTD structure with excellent accessibility, the metallized film with irregular defects not only enhances electron transfer during the reaction but also exposes more surface‐active sites. Furthermore, the prepared HZIF@TCPP‐Fe/Fe heterogeneous catalyst can be recycled and reused, which is of great significance in the field of green chemistry.
Achieving High‐Performance Photothermal and Photodynamic Effects upon Combining D–A Structure and Nonplanar Conformation
Authors: Chen Jingya , Wen Kaikai , Chen Hao , Jiang Sai , Wu Xiaoxi , Lv Lei , Peng Aidong , Zhang Shiming , Huang Hui 
Published: April 2020

AbstractVarious organic nanoagents have been developed for photothermal therapy (PTT) and photodynamic therapy (PDT) under near‐infrared (NIR) irradiation. Among them, small molecule‐based nanoagents are very attractive due to their advantages of well‐defined chemical structures, high purity, good reproducibility, and easy processability. However, only a few small molecule‐based nanoagents have been developed for PDT under NIR irradiation. Moreover, the mechanism of PDT under NIR is still elusive. Herein, a semiconducting small molecule (BTA) with donor–acceptor–donor structure and twisted conformation is developed for PDT/PTT under NIR irradiation. A large π‐conjugated electron‐deficient unit is used as the core to couple with two electron‐donating units, ensuring the strong absorption under 808 nm. Moreover, the donor–acceptor structures and twisted conformation can reduce the energy gap between the singlet and triplet states (∆EST) to afford effective intersystem crossing, beneficial for reactive oxygen species generation. The mechanism is probed by experimental and theoretical evidence. Moreover, the BTA nanoparticles exhibit excellent biocompatibility and PTT/PDT in vitro performance under NIR irradiation. This provides a strategy for designing highly efficient PDT/PTT molecular materials.
Toward Green Battery Cells: Perspective on Materials and Technologies
Authors: Dühnen Simon , Betz Johannes , Kolek Martin , Schmuch Richard , Winter Martin , Placke Tobias 
Published: April 2020

AbstractResearch and development of advanced rechargeable battery technologies is dominated by application‐specific targets, which predominantly focus on cost and performance targets, including high gravimetric energy, volumetric energy, and related power densities, while ensuring a high safety and long lifetime. The need for high‐performance and low‐cost batteries is driven by the growing market of electromobility, in order to fulfill key requirements, such as a sufficient driving range and fast charging ability, for achieving broad consumer acceptance. Currently, the lithium ion battery (LIB) is one of the state‐of‐the‐art technologies able to meet most of these key requirements at a reasonable cost. In addition to performance and costs, the environmental impact, i.e., the sustainability of the battery and in particular of the battery cell over the whole life cycle—i.e., from raw material extraction and battery material production, to cell and battery pack production, battery utilization, and to possibilities for second life usage and recycling—does receive continuously increasing attention. Within this review, different approaches for the development of “greener” batteries are introduced with a view on the complete battery life cycle, while focusing on the LIB technology. Moreover, alternative battery technologies are critically evaluated regarding their sustainability aspects and competitiveness.