bluuebunny/crossref_metadata_2025 huggingface dataset:
Various forms of HIF‐1α protein characterize the clear cell renal cell carcinoma cell lines
Authors: Swiatek Monika , Jancewicz Iga , Kluebsoongnoen Jakkapong , Zub Renata , Maassen Anna , Kubala Szymon , Udomkit Apinunt , Siedlecki Janusz A. , Sarnowski Tomasz J. , Sarnowska Elzbieta
Published: April 2020

Renal cell carcinoma (RCC) represents around 2–3% of all malignancies diagnosed in adult patients. Most frequent (around 70–80% cases) and the most aggressive subtype is clear cell RCC (ccRCC). Mutations in VHL (von Hippel Lindau) gene, characteristic for this cancer type, lead to altered activity of the trimeric VBC (pVHL‐elongin B‐C) complex and consequently to HIF‐1α stabilization. In this study, we present results of exhaustive investigation of HIF‐1α alternative transcript variants abundance in A498, CAKI‐1, and 786‐O ccRCC cell lines. We proved the existence of truncated HIF‐1α protein form (HIF1A∆‐6) in A498 and HIF1A gene rearrangements in 786‐O cell lines. Subsequently, we found that HIF1A∆2‐6 was more stable than the full‐length HIF‐1α. Moreover, the shorter HIF‐1α was insensitive for hypoxia and was overaccumulated after proteasome inhibitor treatment indicative of potential diversified roles of full‐length and truncated HIF‐1α forms in the cell. We also showed that A498, CAKI‐1, and 786‐O exhibit differential expression of various regulatory genes involved in the control of metabolic processes, that is, glucose and lipid metabolism, and encoding subunits of such machineries like SWI/SNF chromatin remodeling complex. Furthermore, these cell lines exhibited differential responses to axitinib, everolimus, and sunitinib—anticancer drugs—in normoxia and hypoxia as well as various alterations in metabolism‐related regulatory processes. Finally, we have shown that overexpression of truncated HIF1A∆2‐6 form may affect the protein level of endogenous full‐length HIF‐1α protein. Thus, our study proves an important role of HIF‐1α in the ccRCC development.
Trauma‐Informed Supervision: Clinical Supervision of Substance Use Disorder Counselors
Authors: Jones Connie T. , Branco Susan F.
Published: April 2020

Substance use disorder counselors are at risk of experiencing burnout, vicarious trauma, and secondary traumatic stress. These phenomena can lead to counselor impairment. The authors describe how trauma‐informed supervision can mitigate the risks of impairment for substance use disorder counselors.
Quasi‐Experimental Single‐Subject Design: Comparing Seeking Safety and Canine‐Assisted Therapy Interventions Among Mentally Ill Female Inmates
Authors: Holman Leigh F. , Ellmo Frances , Wilkerson Shelly , Johnson Re'Sean
Published: April 2020

This repeated measures quasi‐experimental study evaluated the effectiveness of 2 interventions, Seeking Safety and canine‐assisted therapy, with female prisoners with trauma histories on a mental health unit. Results indicate both are effective at reducing anxiety, depression, and posttraumatic stress disorder.
Structural variations in human ACE2 may influence its binding with SARS‐CoV‐2 spike protein
Authors: Hussain Mushtaq , Jabeen Nusrat , Raza Fozia , Shabbir Sanya , Baig Ayesha A. , Amanullah Anusha , Aziz Basma
Published: April 2020

The recent pandemic of COVID‐19, caused by SARS‐CoV‐2, is unarguably the most fearsome compared with the earlier outbreaks caused by other coronaviruses, SARS‐CoV and MERS‐CoV. Human ACE2 is now established as a receptor for the SARS‐CoV‐2 spike protein. Where variations in the viral spike protein, in turn, lead to the cross‐species transmission of the virus, genetic variations in the host receptor ACE2 may also contribute to the susceptibility and/or resistance against the viral infection. This study aims to explore the binding of the proteins encoded by different human ACE2 allelic variants with SARS‐CoV‐2 spike protein. Briefly, coding variants of ACE2 corresponding to the reported binding sites for its attachment with coronavirus spike protein were selected and molecular models of these variants were constructed by homology modeling. The models were then superimposed over the native ACE2 and ACE2‐spike protein complex, to observe structural changes in the ACE2 variants and their intermolecular interactions with SARS‐CoV‐2 spike protein, respectively. Despite strong overall structural similarities, the spatial orientation of the key interacting residues varies in the ACE2 variants compared with the wild‐type molecule. Most ACE2 variants showed a similar binding affinity for SARS‐CoV‐2 spike protein as observed in the complex structure of wild‐type ACE2 and SARS‐CoV‐2 spike protein. However, ACE2 alleles, rs73635825 (S19P) and rs143936283 (E329G) showed noticeable variations in their intermolecular interactions with the viral spike protein. In summary, our data provide a structural basis of potential resistance against SARS‐CoV‐2 infection driven by ACE2 allelic variants.
Sex‐specific sagittal and frontal plane gait mechanics in persons post‐hip arthroscopy for femoroacetabular impingement syndrome
Authors: Brown‐Taylor Lindsey , Schroeder Brittany , Lewis Cara L. , Perry Jennifer , Hewett Timothy E. , Ryan John , Di Stasi Stephanie
Published: April 2020

Postoperative gait mechanics in persons with femoroacetabular impingement syndrome (FAIS) remain understudied as a treatment outcome despite observed, yet inconclusive, preoperative gait abnormalities. Females with FAIS demonstrate worse preoperative patient‐reported hip function and altered hip mechanics when compared with males; it is unknown whether these sex differences persist postarthroscopy. The purpose of this study was to compare sex‐specific gait kinematics between persons at least 1 year postarthroscopy for FAIS and healthy comparisons. General linear models with estimating equations were used to evaluate the effect of (a) limb and sex within each group, and (b) limb and group within each sex for peak sagittal and frontal plane trunk, pelvis, and hip kinematics during stance phase of gait. Analyses were covaried by gait speed. Seventeen females and eight males an average 2.5 years postarthroscopy (1.1‐7.2 year) for FAIS were compared with healthy females (n = 7) and males (n = 5). Females in the FAIS group presented with an average of 4.6° more anterior pelvic tilt, and 4.8° less hip extension compared with healthy females (P ≤ .03) and 8.6° less trunk flexion, 4.8° more anterior pelvic tilt, 3.1° more pelvic drop, and 7.5° more hip flexion than males with FAIS (P ≤ .03). Males in the FAIS group presented with 2.9° less pelvic drop, and 3.2° less hip adduction than healthy males. Preoperative gait mechanics were not collected and thus changes in mechanics could not be evaluated. This study is significant to clinicians who treat patients postarthroscopy to consider sex‐specific gait impairments.
Measurement of Freeform Optical Surfaces: Trade‐Off between Accuracy and Dynamic Range
Authors: Chen Shanyong , Xue Shuai , Zhai Dede , Tie Guipeng
Published: April 2020

Freeform optical surfaces are advantageous to optical designers, as they provide additional degrees of freedom for optimization. The loss of rotational symmetry, however, makes measurement of freeforms more challenging. Herein, advances in interferometric areal measurement of freeform optical surfaces, including null tests, non‐null tests, near‐null tests, and adaptive null tests, are reviewed. Some new developments, in the Hartmann test, deflectometry, and phase retrieval, as representatives of non‐interferometric areal measurement, are then presented. Overall, the focus is on single‐point‐probe‐based profilometry categorized into coordinate measurements and slope‐ or curvature‐based measurements. Innovative measurement technology is trying to bridge the gap between high accuracy and high dynamic range as freeform optical surfaces are finding more applications in visible and shorter‐wavelength optics.
Tunability of the Free‐Spectral Range by Microwave Injection into a Mid‐Infrared Quantum Cascade Laser
Authors: Rodriguez Etienne , Mottaghizadeh Alireza , Gacemi Djamal , Jeannin Mathieu , Asghari Zahra , Vasanelli Angela , Todorov Yanko , Wang Qi Jie , Sirtori Carlo
Published: April 2020

The free‐spectral range (FSR) of quantum cascade lasers (QCLs) emitting at 4.7 µm can be tuned through direct microwave modulation. The intrinsic short carrier lifetime of inter‐subband transitions, along with impedance matched electrical packaging, allows a high‐speed modulation up to more than 30 GHz. A significant broadening and flattening of the lasing spectrum is observed under radio frequency (RF) injection with frequencies close to the round‐trip cavity. An accurate analysis of the high resolution spectra of the laser shows a comb‐like regime for both free‐running and RF modulated QCLs, if the modulation frequency is within the locking‐range of the device. One of the main advantages of collecting high‐resolution mid‐infrared spectra, over the plain investigation of the beatnote in the microwave region, is the access to all the longitudinal modes and thus the accurate measure of the FSR over the whole optical spectrum. The use of high‐resolution spectroscopy provides an in‐depth and comprehensive analysis of lasing spectra under microwave modulations.
Kinetic Investigations of Quaternization Reactions of Poly[2‐(dimethylamino)ethyl methacrylate] with Diverse Alkyl Halides
Authors: De Jesús‐Téllez Marco A. , Sánchez‐Cerrillo Dulce M. , Quintana‐Owen Patricia , Schubert Ulrich S. , Contreras‐López David , Guerrero‐Sánchez Carlos
Published: April 2020

Kinetic investigations of the quaternization reactions of poly[2‐(dimethylamino)ethyl methacrylate] (PDMAEMA) with alkyl halides (1‐iodobutane, 1‐iodoheptane, and 1‐iododecane) are carried out at different temperatures. For this purpose, a PDMAEMA (Mn = 17.8 kDa, Ð = 1.35) synthesized via reversible addition fragmentation chain transfer polymerization is utilized. The progress of the quaternization reactions is followed by proton nuclear magnetic resonance. As expected, the rate of quaternization is higher with increasing temperature. The experimental data are used to determine the following kinetic parameters: order of the reaction, Arrhenius' pre‐exponential factor, and activation energy. To the best of knowledge, this is the first contribution that provides detailed kinetic data of the quaternization reactions on PDMAEMA.
Iminoboronate Backbone‐Based Hyperbranched Polymeric Micelles with Fenton‐Like Enhanced ROS Response
Authors: Zhang Xuan , Li Guo , Liu Zhaotie , Liu Zhongwen , Jiang Jinqiang
Published: April 2020

Compared to normal cells, there is a relatively high level of reactive oxygen species (ROS) in tumor cells caused by defecting ROS scavenging systems. To this issue, developing ROS‐responsive nanocarriers has been a promising way to cancer therapy. However, it is always difficult for a certain ROS‐responsive nanocarrier to be perfectly triggered due to the complexity of cancerous tissues. Thus, it is pressing to improve the response sensitivity of ROS‐responsive nanocarriers. Herein, the Fenton‐like reaction enhanced ROS response of polymeric nanocarriers of an iminoboronate backbone‐based hyperbranched polymer with metallisable 8‐hyroxyquinoline (HQ) moieties is demonstrated. HQ‐Cu catalytic sites can be formed at the prepared nanocarriers via the complexation of Cu(II) ions and HQ moieties. Upon H2O2, hydroxyl radicals (·OH) are quickly generated via the Fenton‐like reaction between H2O2 and HQ‐Cu. Then, the oxidative cleavage of iminoboronate moieties can be effectively activated to disrupt the nanocarriers, leading to a rapid release of encapsulated drugs. It is proposed that this kind of polymeric nanocarriers with Cu‐complexed catalyzing‐triggered ROS response may achieve highly effective oxidation therapy.
Comprehensive single institute experience with melanoma TIL: Long term clinical results, toxicity profile, and prognostic factors of response
Authors: Besser Michal J. , Itzhaki Orit , Ben‐Betzalel Guy , Zippel Douglas B. , Zikich Dragoslav , Kubi Adva , Brezinger Karin , Nissani Abraham , Levi Michal , Zeltzer Li‐at , Ben‐Nun Alon , Asher Nethanel , Shimoni Avichai , Nagler Arnon , Markel Gal , Shapira‐Frommer Ronnie , Schachter Jacob
Published: April 2020

Adoptive cell transfer (ACT) of tumor‐infiltrating lymphocytes (TIL) mediates objective responses in 30% to 50% of patients with metastatic melanoma according to multiple, small phase 2 trials. Here we report the long‐term clinical results, intent‐to‐treat analysis, predictors of response and toxicity profile in a large patient cohort. A total of 179 refractory melanoma patients were enrolled in the ACT trial. TIL were administered in combination with high‐dose bolus interleukin‐2 following preconditioning with cyclophosphamide and fludarabine. Patients were followed‐up for a median of 7.2 years. A total of 107 (60%) of 179 enrolled patients were treated. The main reason for the drop out of the study was clinical deterioration. Of 103 evaluated patients, 29 patients (28%) achieved an objective response (OR), including complete remission (8%) or partial response (20%). Sixteen pateints exhibited stable disease. Predictors of response were performance status, time of TIL in culture and CD8 frequency in the infusion product. The absolute lymphocyte count 1 and 2 weeks after TIL infusion was the most predictive parameter of response. With a medium follow‐up time of 7.2 years, OR patients reached a median overall survival (OS) of 58.45 months and a median progression‐free survival (PFS) of 15.43 months, as compared with nonresponders, with 6.73 months OS and 2.60 months PFS. By 6 years, 50% of OR patients were alive and 43% had no documented progression. TIL ACT can yield durable objective responses, even as salvage therapy in highly advanced metastatic melanoma patients.
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

Background

Extensive 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.

Methods

We 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.

Results

A 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.

Conclusions

This 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

Introduction

The genetic factors and molecular mechanisms predisposing to essential tremor (ET) remains largely unknown.

Objective

The objective of this study was to identify pathways and genes relevant to ET by integrating multiomics approaches.

Methods

Case‐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.

Results

We 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.

Conclusion

We 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

In 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

Hydrophobically 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

Proteogenomics 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

Background

The 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 Methods

We 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.

Results

Six 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.

Conclusion

We 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

In 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

Extensive 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

We 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.
Improving coverage probabilities for parametric tolerance intervals via bootstrap calibration
Authors: Zou Yixuan , Young Derek S.
Published: April 2020

Statistical tolerance intervals are commonly employed in biomedical and pharmaceutical research, such as in lifetime analysis, the assessment of biosimilarity of branded and generic versions of biopharmaceutical drugs, and in quality control of drug products to ensure that a specified proportion of the products are covered within established acceptance limits. Exact two‐sided parametric tolerance intervals are only available for the normal distribution, while exact one‐sided parametric tolerance limits are available for a limited number of distributions. Approximations to two‐sided parametric tolerance intervals often use the Bonferroni correction on the one‐sided tolerance interval calculation; however, this often incurs a higher coverage probability than the nominal level. Recently, the usage of a bootstrap calibration has been demonstrated as a way to improve coverage probabilities of tolerance intervals for very specific and complex distributional settings. We present a focused treatment on using a single‐layer bootstrap calibration to improve the coverage probabilities of two‐sided parametric tolerance intervals. Simulation results clearly demonstrate the improved coverage probabilities towards the nominal level over the uncalibrated setting. Applications to medical data for various parametric distributions also highlight the utility of constructing these calibrated tolerance intervals.
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

The 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

Fatty 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

An 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

Condensation 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

Quasi‐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

Various 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

Research 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.
Facilitating All‐Inorganic Halide Perovskites Fabrication in Confined‐Space Deposition
Authors: Wang Renyan , Muhammad Yasar , Xu Xiang , Ran Meng , Zhang Qingfu , Zhong Junchuan , Zhuge Fuwei , Li Huiqiao , Gan Lin , Zhai Tianyou
Published: April 2020

2D all‐inorganic halide perovskites (2D AIHP) have attracted huge attention for their excellent optoelectronic properties and superior atmospheric stability for organic–inorganic halide perovskites. 2D AIHP has been fabricated by varied strategies, whereas a satisfied way to simultaneously reach good quality, dimensions, and uniformity is still far from achieved yet. Here, a direct thermal deposition method to synthesize 2D AIHP of lateral length up to ≈30 µm and uniform thickness down to ≈10 nm, which shows excellent optoelectronic performance comparable to the reported top‐level 2D AIHP, is proposed. A vertical mass transport instead of conventional horizontal mode is adopted, significantly enhancing the deposition stability. Furthermore, the morphologies of AIHP are switchable between nanowires and nanoflakes under the control of deposition temperature. This method may pave the way for uniform fabrication of 2D AIHP or AIHP‐based 2D heterostructures for various applications.
Modification of Starches with Different Amylose/Amylopectin‐Ratios Using the Dual Approach with Hydroxypropylation and Subsequent Acid‐Thinning—Impacts on Morphological and Molecular Characteristics
Authors: Ulbrich Marco , Flöter Eckhard
Published: April 2020

Commercial starches with different amylose (AM)/amylopectin (AP)‐ratios (waxy potato: WxPS, regular potato: PS, high AM corn: HACS) are hydroxypropylated (HP, pilot plant scale, two levels) and subsequently acid‐thinned (AT, laboratory scale) to produce dual‐modified samples. The gradation of the molar substitution (MS) obtained is significant for each starch basis. Investigation by means of scanning electron microscopy reveals a basically intact granular structure with surface defects. The molecular properties are comprehensively characterized using size exclusion chromatography‐multi angle laser light scattering‐differential refractive index detection (SEC‐MALS‐DRI) and corresponding conventional calibration (SEC‐cal‐DRI). The evaluation of the molecular data (MS and weight average molar mass, Mw) by means of statistical analysis (ANOVA) identifies statistically significant impacts with respect to the starch type, the substitution level, and the AT treatment.
Design and Analysis of a 16/6 Bearingless Switched Reluctance Motor with Segment Hybrid Rotor Teeth
Authors: Sun Chuanyu , Zhuang Peng , Li Jingkai , Li Jiaqing
Published: April 2020

In this article, a 16/6 bearingless switched reluctance motor (BSRM) with segment hybrid rotor teeth has been presented. To realize the decoupling control of torque and suspension force, the rotor teeth were divided into three torque teeth and three suspension teeth, and both of them are embedded in support part. First, both torque and suspension force are generated by short‐circuit excitation, the flux linkage coupling between torque windings and suspension windings was eliminated, and the separate control of torque and suspension force was achieved. Then, by increasing the pole arc of suspension teeth, the inductance of suspension windings is kept constant, which eliminates the influence on the output torque when adjusting suspension force. Finally, the coupling degree is further reduced by using nonmagnetic material as the supporting part. In addition, to achieve a greater output torque, the torque teeth are processed into U‐shape and optimized the pole arc of stator teeth and rotor teeth. The characteristics of inductance, flux linkage, and output torque are analyzed by the finite‐element method, and the results show that the proposed structure basically achieves the decoupling control of torque and suspension force. © 2020 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
An alternative norm of intention consistency
Authors: Núñez Carlos ,   Philosophy Documentation Center
Published: April 2020

In this paper, I formulate a norm of intention consistency that is immune to the kind of cases that have been put forth to argue either that rationality does not require consistency between an agent's intentions, or that, if it does, then rationality is not normative. The norm I formulate mimics refinements that have been made to the norm of means-end coherence in response to cases where, intuitively, you need not be irrational when you intend an end e, despite not intending the means m you believe to be necessary for e, because you do not believe that intending m is necessary for e. Similarly, according to the norm I put forth, if you intend e, and believe that e is inconsistent with e*, you need not be irrational if you also intend e*, as long as you do not believe that intending e* is inconsistent with e.
Factorization at subleading power and endpoint-divergent convolutions in h → γγ decay
Authors: Liu Ze Long , Neubert Matthias
Published: April 2020

Abstract

It is by now well known that, at subleading power in scale ratios, factorization theorems for high-energy cross sections and decay amplitudes contain endpoint-divergent convolution integrals. The presence of endpoint divergences hints at a violation of simple scale separation. At the technical level, they indicate an unexpected failure of dimensional regularization and the

$$ \overline{\mathrm{MS}} $$

MS
¯

subtraction scheme. In this paper we start a detailed discussion of factorization at subleading power within the framework of soft-collinear effective theory. As a concrete example, we factorize the decay amplitude for the radiative Higgs-boson decay h → γγ mediated by a b-quark loop, for which endpoint-divergent convolution integrals require both dimensional and rapidity regulators. We derive a factorization theorem for the decay amplitude in terms of bare Wilson coefficients and operator matrix elements. We show that endpoint divergences caused by rapidity divergences cancel to all orders of perturbation theory, while endpoint divergences that are regularized dimensionally can be removed by rearranging the terms in the factorization theorem. We use our result to resum the leading double-logarithmic corrections of order

$$ {\alpha}_s^n{\ln}^{2n+2}\left(-{M}_h^2/{m}_b^2\right) $$

α
s
n

ln

2
n
+
2

−

M
h
2

/

m
b
2

to the decay amplitude to all orders of perturbation theory.
Designer drugs: mechanism of action and adverse effects
Authors: Luethi Dino , Liechti Matthias E.
Published: April 2020

Psychoactive substances with chemical structures or pharmacological profiles that are similar to traditional drugs of abuse continue to emerge on the recreational drug market. Internet vendors may at least temporarily sell these so-called designer drugs without adhering to legal statutes or facing legal consequences. Overall, the mechanism of action and adverse effects of designer drugs are similar to traditional drugs of abuse. Stimulants, such as amphetamines and cathinones, primarily interact with monoamine transporters and mostly induce sympathomimetic adverse effects. Agonism at μ-opioid receptors and γ-aminobutyric acid-A (GABAA) or GABAB receptors mediates the pharmacological effects of sedatives, which may induce cardiorespiratory depression. Dissociative designer drugs primarily act as N-methyl-d-aspartate receptor antagonists and pose similar health risks as the medically approved dissociative anesthetic ketamine. The cannabinoid type 1 (CB1) receptor is thought to drive the psychoactive effects of synthetic cannabinoids, which are associated with a less desirable effect profile and more severe adverse effects compared with cannabis. Serotonergic 5-hydroxytryptamine-2A (5-HT2A) receptors mediate alterations of perception and cognition that are induced by serotonergic psychedelics. Because of their novelty, designer drugs may remain undetected by routine drug screening, thus hampering evaluations of adverse effects. Intoxication reports suggest that several designer drugs are used concurrently, posing a high risk for severe adverse effects and even death.
Translated simple modules for Lie algebras and simple supermodules for Lie superalgebras
Authors: Chen Chih-Whi , Coulembier Kevin , Mazorchuk Volodymyr
Published: April 2020

We prove that the tensor product of a simple and a finite dimensional$${\mathfrak {sl}}_n$$sln-module has finite type socle. This is applied to reduce classification of simple$${\mathfrak {q}}(n)$$q(n)-supermodules to that of simple$${\mathfrak {sl}}_n$$sln-modules. Rough structure of simple$${\mathfrak {q}}(n)$$q(n)-supermodules, considered as$${\mathfrak {sl}}_n$$sln-modules, is described in terms of the combinatorics of category$${\mathcal {O}}$$O.