bluuebunny/crossref_metadata_2025 huggingface dataset:
Managing the tension between caring and charting: Labor and delivery nurses' experiences of the electronic health record
Authors: Wisner Kirsten , Chesla Catherine A. , Spetz Joanne , Lyndon Audrey
Published: August 2021

Over a decade following the nationwide push to implement electronic health records (EHRs), the focus has shifted to addressing the cognitive burden associated with their use. Most research and discourse about the EHR's impact on clinicians' cognitive work has focused on physicians rather than on nursing‐specific issues. Labor and delivery nurses may encounter unique challenges when using EHRs because they also interact with an electronic fetal monitoring system, continuously managing and synthesizing both maternal and fetal data. This grounded theory study explored labor and delivery nurses' perceptions of the EHR's impact on their cognitive work. Data were individual interviews and participant observations with twenty‐one nurses from two labor and delivery units in the western U.S. and were analyzed using dimensional analysis. Nurses managed the tension between caring and charting using various strategies to integrate the EHR into their dynamic, high‐acuity, specialty practice environment while using EHRs that were not designed for perinatal patients. Use of the EHR and associated technologies disrupted nurses' ability to locate and synthesize information, maintain an overview of the patient's status, and connect with patients and families. Individual‐, group‐, and environmental‐level factors facilitated or constrained nurses' integration of the EHR. These findings represent critical safety failures requiring comprehensive changes to EHR designs and better processes for responding to end‐user experiences. More research is needed to develop EHRs that support the dynamic and relationship‐based nature of nurses' work and to align with specialty practice environments.
Quantized data‐based iterative learning control under denial‐of‐service attacks
Authors: Zhou Chang‐Ren , Che Wei‐Wei
Published: August 2021

This article mainly studies the quantized data‐based iterative learning tracking control (QDBILTC) problem of nonlinear networked control systems in the presence of signals quantization and denial‐of‐service (DoS) attacks. The quantizer considered here is static with the logarithmic form. First, an estimate output attack compensation mechanism is designed to compensate for the effect of DoS attacks based on the extended dynamic linearization method. Then, a QDBILTC algorithm is developed to guarantee the system tracking performance and the bounded input and bounded output stability in mean‐square sense. The process of designing the QDBILTC algorithm only uses the input and output data of the system, and the proof of which uses the compression mapping principle and the mathematical induction. The effectiveness of the proposed QDBILTC algorithm is illustrated by a digital simulation.
A model of weight‐based stigma in health care and utilization outcomes: Evidence from the learning health systems network
Authors: Phelan Sean M. , Bauer Katherine W. , Bradley David , Bradley Steven M. , Haller Irina V. , Mundi Manpreet S. , Finney Rutten Lila J. , Schroeder Darrell R. , Fischer Kristin , Croghan Ivana
Published: August 2021

Objective

Obesity is stigmatized and people with obesity report experiencing stigmatizing situations when seeking health care. The implications of these experiences are not well understood. This study tests an indirect effects model of negative care experiences as an intermediate variable between obesity and care avoidance/utilization and switching primary care doctors.

Methods

A survey was completed by 2380 primary care patients in the Learning Health Systems Network (LHSNet) Clinical Data Research Network with a BMI >25 kg/m2. Measures included scales assessing stigmatizing situations, perceived patient‐centered communication, perceived respect, having delayed needed care, and having looked for a new primary doctor in the past 12 months. Sequential and serial indirect effects of care experiences and respect in the association between BMI and care utilization outcomes was modeled.

Results

The hypothesized model was supported by findings. The associations between BMI and delaying needed care (OR = 1.06, p < 0.001) and attempting to switch primary doctors (OR = 1.02, p = 0.04) was mediated by both stigmatizing situations experienced in a health care context and lower patient‐centered communication. Lower perceived respect mediated the association between care experiences and utilization outcomes.

Conclusions

People with higher BMIs may avoid care or switch doctors as a result of stigmatizing experiences and poor communication with doctors. These outcomes may contribute to morbidity in people with obesity if they delay or avoid care for health concerns when symptoms first present.
Retracted: Russia's foreign policy priorities in the Asia‐Pacific region
Authors: Nguyen Oanh Thi Hoang , Aksenov Ilia , Phan Nhuan Thi , Sakulyeva Tatyana
Published: August 2021

Nguyen, O. T. H., Aksenov, I., Phan, N. T., & Sakulyeva, T. (2021). Russia's foreign policy priorities in the Asia‐Pacific region. Journal of Public Affairs, e2745. https://doi.org/10.1002/pa.2745. The above article, published online on 17 August 2021 in Wiley Online Library (wileyonlinelibrary.com) has been retracted by agreement between the journal's Editor‐in‐Chief, Laura Corazza and Shaista Wasiuzzaman and John Wiley & Sons Ltd.

The retraction has been agreed following concerns regarding manipulation of the peer review and publishing process. Concerns were originally raised by a third party (1). Further investigation by the publisher has found manipulation of the peer review process, and overlapping text with other publications. The retraction has been agreed because the peer review of the article was compromised and there is unattributed overlap between this article and several other articles (2)(3).

Abalkina, A. (2022). Publication and collaboration anomalies in academic papers originating from a paper mill: evidence from a Russia‐based paper mill https://arxiv.org/abs/2112.13322

Burdzik, T. (2019). Slowly but Surely: Russia's Foreign Policy in Southeast Asia https://russiancouncil.ru/en/analytics‐and‐comments/columns/asian‐kaleidoscope/slowly‐but‐surely‐russia‐s‐foreign‐policy‐in‐southeast‐asia/?sphrase_id=34631795

Rumer, E., Sokolsky, R., Vladicic, A. (2020). Russia in the Asia‐Pacific: Less Than Meets the Eye https://carnegieendowment.org/publications/82614
Applying the demand–control–support model on burnout in students: A meta‐analysis
Authors: Kim Soyeon , Kim Hankyul , Park Eun Hye , Kim Boram , Lee Sang Min , Kim Boyoung
Published: August 2021

Fourteen empirical studies on academic burnout were synthesized and reviewed with a meta‐analytic approach based on the framework of job demand, control, support model. It was found that demand, control, and support were associated with academic burnout. The three dimensions of burnout were negatively related to demand and positively related to control and support. In terms of types of demand, which were classified into psychological and physical demands, moderating effects were observed on the three burnout dimensions, with a larger correlation coefficient of psychological demands. As for social support, moderating effects were observed only with exhaustion. Implications for research and interventions as well as limitations are stated.
The effect of primary urological cancers on survival in men with secondary prostate cancer
Authors: Wenzel Mike , Würnschimmel Christoph , Nocera Luigi , Ruvolo Claudia Collà , Tian Zhe , Saad Fred , Briganti Alberto , Tilki Derya , Graefen Markus , Roos Frederik C. , Mandel Philipp , Chun Felix K.H. , Karakiewicz Pierre I.
Published: August 2021

Background

To test the effect of urological primary cancers (bladder, kidney, testis, upper tract, penile, urethral) on overall mortality (OM) after secondary prostate cancer (PCa).

Methods

Within the Surveillance, Epidemiology and End Results (SEER) database, patients with urological primary cancers and concomitant secondary PCa (diagnosed 2004‐2016) were identified and were matched in 1:4 fashion with primary PCa controls. OM was compared between secondary and primary PCa patients and stratified according to primary urological cancer type, as well as to time interval between primary urological cancer versus secondary PCa diagnoses.

Results

We identified 5,987 patients with primary urological and secondary PCa (bladder, n = 3,287; kidney, n = 2,127; testis, n = 391; upper tract, n = 125; penile, n = 47; urethral, n = 10) versus 531,732 primary PCa patients. Except for small proportions of Gleason grade group and age at diagnosis, PCa characteristics between secondary and primary PCa were comparable. Conversely, proportions of secondary PCa patients which received radical prostatectomy were smaller (29.0 vs. 33.5%), while no local treatment rates were higher (34.2 vs. 26.3%). After 1:4 matching, secondary PCa patients exhibited worse OM than primary PCa patients, except for primary testis cancer. Here, no OM differences were recorded. Finally, subgroup analyses showed that the survival disadvantage of secondary PCa patients decreased with longer time interval since primary cancer diagnosis.

Conclusions

After detailed matching for PCa characteristics, secondary PCa patients exhibit worse survival, except for testis cancer patients. The survival disadvantage is attenuated, when secondary PCa diagnosis is made after longer time interval, since primary urological cancer diagnosis.
Phenotypic characterization of two novel cell line models of castration‐resistant prostate cancer
Authors: Haffner Michael C. , Bhamidipati Akshay , Tsai Harrison K. , Esopi David M. , Vaghasia Ajay M. , Low Jin‐Yih , Patel Radhika A. , Guner Gunes , Pham Minh‐Tam , Castagna Nicole , Hicks Jessica , Wyhs Nicolas , Aebersold Ruedi , De Marzo Angelo M. , Nelson William G. , Guo Tiannan , Yegnasubramanian Srinivasan
Published: August 2021

Background

Resistance to androgen deprivation therapies is a major driver of mortality in advanced prostate cancer. Therefore, there is a need to develop new preclinical models that allow the investigation of resistance mechanisms and the assessment of drugs for the treatment of castration‐resistant prostate cancer.

Methods

We generated two novel cell line models (LAPC4‐CR and VCaP‐CR) which were derived by passaging LAPC4 and VCaP cells in vivo and in vitro under castrate conditions. We performed detailed transcriptomic (RNA‐seq) and proteomic analyses (SWATH‐MS) to delineate expression differences between castration‐sensitive and castration‐resistant cell lines. Furthermore, we characterized the in vivo and in vitro growth characteristics of these novel cell line models.

Results

The two cell line derivatives LAPC4‐CR and VCaP‐CR showed castration‐resistant growth in vitro and in vivo which was only minimally inhibited by AR antagonists, enzalutamide, and bicalutamide. High‐dose androgen treatment resulted in significant growth arrest of VCaP‐CR but not in LAPC4‐CR cells. Both cell lines maintained AR expression, but exhibited distinct expression changes on the mRNA and protein level. Integrated analyses including data from LNCaP and the previously described castration‐resistant LNCaP‐abl cells revealed an expression signature of castration resistance.

Conclusions

The two novel cell line models LAPC4‐CR and VCaP‐CR and their comprehensive characterization on the RNA and protein level represent important resources to study the molecular mechanisms of castration resistance.
A case of epithelioid cell granulomas arising at the margin of lung resection, with high accumulation on 18F‐fluorodeoxyglucose‐positron emission tomography
Authors: Yokotsuka Shinnosuke , Uematsu Shugo , Okada Momoka , Takamiya Shinnosuke , Ohashi Shinichi , Tanaka Yoko , Suzuki Kosuke , Kitami Akihiko , Nemoto Tetsuo
Published: August 2021

It is important to distinguish tumour recurrence from other conditions that could show high accumulation on 18F‐fluorodeoxyglucose‐positron emission tomography (FDG‐PET). We describe the case of a 78‐year‐old woman who underwent partial resection of the left lower lung lobe for carcinoid treatment 20 years previously. Five years earlier, chest radiography revealed an abnormal shadow, and chest computed tomography (CT) showed partial atelectasis in the left S8. Periodical CT showed that the atelectasis had developed into a mass. The patient was referred to our hospital. A mass of 45 mm diameter was detected on CT and it had a maximum standardized uptake value of 8.91 on FDG‐PET. We suspected recurrence and performed surgery. Pathological examination revealed epithelioid cell granuloma (maximum diameter, 25 mm) with necrosis. Tissue culture showed no evidence of Mycobacterium tuberculosis. However, serum anti‐MAC antibody level was elevated, suggesting epithelioid cell granuloma caused by non‐tuberculous Mycobacterium infection.
A case of giant intradiaphragmatic bronchogenic cyst
Authors: Kitamura Naoya , Takahashi Tomohiko , Takayama Tetsuya , Kawamukai Jun , Shinno Hideki , Miyazawa Hideki
Published: August 2021

We present the case of a giant bronchogenic cyst (BC) that appeared just within the right diaphragm. A 51‐year‐old man was referred to our hospital with a chief complaint of pain from the lumbar area to the right shoulder. Computed tomography images showed a cystic mass measuring 18.0 × 17.5 × 12.8 cm in the right thoracic cavity. Right posterolateral thoracotomy from the eighth intercostal space was performed, and the cyst wall and diaphragm were resected together. The defect of the diaphragm was repaired using a 2‐mm‐thick Gore‐Tex™ expanded polytetrafluoroethylene patch. It is embryologically rare for a giant BC to develop within the right diaphragm. As BCs may be associated with malignant tumours or infection, complete resection of the cyst wall is required. Literature review revealed no consensus on the best surgical procedure. Therefore, it is important to consider the appropriate surgical procedure for each case.
Weighted validation of heteroscedastic regression models for better selection
Authors: Jung Yoonsuh , Kim Hayoung
Published: August 2021

In this paper, we suggest a method for improving model selection in the presence of heteroscedasticity. For this purpose, we measure the heteroscedasticity in the data using the inter‐quartile range (IQR) of the fitted values under the framework of cross‐validation. To find the IQR, we fit 0.25 and 0.75 generic quantile regression using the training data. The two models then predict the values of the response variable at 0.25 and 0.75 quantiles in the test data, which yields predicted IQR. To reduce the effect of heteroscedastic data in the model selection, we propose to use weighted prediction error. The inverse of the predicted IQR is utilized to estimate the weights. The proposed method reduces the impact of large prediction errors via weighted prediction and leads to better model and parameter selection. The benefits of the proposed method are demonstrated in simulations and with two real data sets.
Bayesian hierarchical models for high‐dimensional mediation analysis with coordinated selection of correlated mediators
Authors: Song Yanyi , Zhou Xiang , Kang Jian , Aung Max T. , Zhang Min , Zhao Wei , Needham Belinda L. , Kardia Sharon L. R. , Liu Yongmei , Meeker John D. , Smith Jennifer A. , Mukherjee Bhramar
Published: August 2021

We consider Bayesian high‐dimensional mediation analysis to identify among a large set of correlated potential mediators the active ones that mediate the effect from an exposure variable to an outcome of interest. Correlations among mediators are commonly observed in modern data analysis; examples include the activated voxels within connected regions in brain image data, regulatory signals driven by gene networks in genome data, and correlated exposure data from the same source. When correlations are present among active mediators, mediation analysis that fails to account for such correlation can be suboptimal and may lead to a loss of power in identifying active mediators. Building upon a recent high‐dimensional mediation analysis framework, we propose two Bayesian hierarchical models, one with a Gaussian mixture prior that enables correlated mediator selection and the other with a Potts mixture prior that accounts for the correlation among active mediators in mediation analysis. We develop efficient sampling algorithms for both methods. Various simulations demonstrate that our methods enable effective identification of correlated active mediators, which could be missed by using existing methods that assume prior independence among active mediators. The proposed methods are applied to the LIFECODES birth cohort and the Multi‐Ethnic Study of Atherosclerosis (MESA) and identified new active mediators with important biological implications.
Correlation Analysis of Target Selectivity and Side Effects of FDA‐Approved Kinase Inhibitors**
Authors: Bayazeid Omer , Rahman Taufiq
Published: August 2021

Kinase inhibitors (KIs) represent a popular class of therapeutic agents and chemical probes but most of them tend to be polypharmacological. Receptor and non‐receptor Tyrosine KIs can target more than 100 kinases simultaneously compare to other KIs. We here analyze the molecular targets of 41 U.S. Food and Drug Administration (FDA)‐approved KIs. We chose 18 drugs (Tyrosine KIs) and sought out to evaluate their selectivity profile and engagement with a number of targets in vivo at clinically relevant doses. We also wanted to see whether there prevails any correlation between the target engagement profile and the reported side effects for specific KIs chosen as test cases. To explore all clinical targets of the 18 KIs, we considered the free (unbound) maximum serum concentration (Cmax) of each KI and only chose targets for which the cognate affinities lie within the reported free Cmax values, thereby allowing plausible interaction in clinical doses. We retrieved the side effects of those KIs that is reported in the FDA adverse event reporting system. We illustrate how correlation analysis of target‐side effect can give a new insight into the off target of KIs and their effect on increasing the toxicity of KIs. These analyses could aid our understanding of the structural‐activity relationship of KIs.
Preparation and Performance Study of Antibacterial Materials Based on GO−TiO2
Authors: Li Hongxia , Wu Jie , Gao Xiang , Li Tiantian , Zhang Mengmeng , Niu Xiaohui , Zhang Deyi , Wang Yi , Fan Haiyan , Wang Kunjie
Published: August 2021

A composite of graphene oxide (GO) and titanium (IV) oxide was prepared through a hydrothermal treatment by mixing TiO2 with GO. The GO was obtained by using an improved Hummers’ method. The composite (TiO2‐GO) only indicated a weak antibacterial effect against Escherichia coli under dark conditions. Upon introduction of silver‐based nanomaterials, two new composites viz. GO−TiO2−Ag and GO−TiO2−Ag2S were prepared also through hydrothermal reaction. While both composites exhibit stronger antibacterial activities against E. coli than TiO2‐GO in dark, GO−TiO2−Ag composite exhibited higher bactericidal rate (92 %) than GO−TiO2−Ag2S (40 %).
Copper Fluoride Doped Polypyrrole for Portable and Enhanced Ammonia Sensing at Room Temperature
Authors: Salimi Mohsen , Rahmani Fereidoon , Hosseini Seyed Mohammad R. M.
Published: August 2021

Point‐of‐care (POC) monitoring of breath ammonia has emerged as a great approach for non‐invasive chronic kidney disease (CKD) diagnosis. Polypyrrole (PPy) is recognized as a suitable polymer material for breath ammonia sensing. Here we describe the copper fluoride (CuF2) doping effect on sensing performance of the ammonia gas sensor based on PPy. At first, PPy was synthesized by chemical oxidative polymerization and characterized by scanning electron microscopy, energy dispersive X‐ray analysis, and Fourier Transform Infrared Spectroscopy techniques. The CuF2was doped to the polymer by an aqueous ion exchange process. A portable sensing system was developed for portable ammonia detection by measuring the resistance variation of the fabricated electrode from synthesized materials. The gas‐sensing results disclose that the CuF2‐PPy based sensor displays the highest response to 2 ppm NH3, which is 3 times higher than that of the pure PPy sensor. The low limit of detection (LOD) value for pure PPy was found to be 0.19 ppm, which has been decreased to 0.02 ppm for CuF2 doped PPy. The CuF2‐PPy resistive sensor exhibits a sustainable, selective, and stable sensing response to ammonia even in the presence of 60 % humidity. Moreover, the fabricated setup is low‐cost, user‐friendly, and suitable enough to be used at the point of care and CKD diagnosis applications.
Boosting Catalytic Efficiency of Metal‐Organic Frameworks with Electron‐Withdrawing Effect for Lewis‐Acid Catalysis
Authors: Li Siyu , Wang Wenyang , Lei Shengbin , Cui Jian‐zhong
Published: August 2021

Metal Organic Frameworks (MOFs) have the characterization of high specific surface area, abundant metal active sites and tunable pores, making them become emerging heterogeneous catalysts. Furthermore, the clear structure of MOFs provides an excellent opportunity to explore the internal relationship between catalytic activity and structure. In addition, precise synthesis of controllable catalytic sites from the molecular level can achieve efficient catalytic preparation of high value‐added chemicals. Here, we synthesize a series of MOFs (MIL‐101(Fe)‐X; X=H, NO2, Br, Cl) with different substituents on the terephthalate linker. Then the catalytic activity of MIL‐101(Fe)‐X was evaluated for Knoevenagel reaction with different substrates. The order of reactivity of MIL‐101(Fe)‐X is closely related to the ability of the electron withdrawing effect. The MIL‐101(Fe)‐NO2 showed the best conversion at low temperature (99.9 % at 25 °C). While the activity of pristine MIL‐101 only can reach 80.78 % of under same condition. This work illustrates the versatility of electronic effect on catalytic activity and brings possibility to tune the activity of MOFs through introducing organic ligands with different functional groups.
Improvement of the Catalytic Performances of SBA‐15 in the Formylation of Aniline upon the Introduction of Template‐Free Nano‐Faujasite in Its Synthesis Gel
Authors: Baghdad Karima , Hasnaoui Mohammed Abdelkrim , Launay Franck
Published: August 2021

Faujasite nanoparticles with average size of 10–40 nm were obtained without any organic structure directing agents (Green synthesis), then used as precursors for the synthesis of NaY/SBA‐15 composites. Two types of composites were obtained with meso/micro porosity (C1 and C2).The inorganic salt, NH4F, has a crucial effect on their morphologies, therefore, their textural and catalytic properties have been mostly influenced. The resulting materials were characterized by X‐ray Diffraction (XRD), N2 sorption, Scanning Electron Microscopy (SEM) .The both composites have been successfully used as catalysts for the N‐formylation reaction of aniline. As a result, N‐phenylformamide was obtained with up to 90 % yield and 100 % selectivity at 50 °C in 4 h (solvent‐free conditions) .The catalytic tests were monitored by gas chromatography (GC) and the nature of the products was confirmed by NMR.
The Formation of Polyethylene Using α‐Diiminonickel Precatalyst in the Presence of CoCp2 and AgOTf
Authors: Xing Yusheng , Yu Haojie , Wang Li , Wang Nan , Zhu Lei , Liang Ruixue
Published: August 2021

The controllable preparation of polyolefin products has always been the goal pursued by researchers, while the structure of polyolefin will have a greater impact on the performance and application of the material. Here, we used a redox active nickel catalyst to modulate the properties of polyethylene through multiple control of reaction conditions. Reductant CoCp2 and oxidant AgOTf were used to induce the valence change of the nickel species and then affected the ethylene polymerization performance. Chain structure, molecular weight, melting point and other properties of polyethylene were investigated to evaluate the catalytic performance. Besides, the characterization indicated that the addition of reductant into the catalytic system might help to change the state of the nickel active center.
Cross‐linking of γ‐Cyclodextrin Using Non‐toxic Polyethylene Glycol Spacer Units
Authors: Dossi Eleftheria , Bolton Morgan , Kister Guillaume , Afsar Ashfaq
Published: August 2021

The crystalline cyclic oligosaccharide γ‐cyclodextrin (γCD) is a natural, non‐toxic and biodegradable precursor that can be used to prepare innovative polymers. We cross‐linked γCD with variable quantities of non‐toxic polyethylene glycol diglycidyl ether (PEGDGE) in aqueous NaOH to form 3D structures with tunable physicochemical properties. Mixtures with a 5 : 1 PEGDGE:γCD molar ratio produced a cross‐linked material that was soluble in water and organic solvents, underwent glass transition at −23 °C. The properties of this material were further modified by additional curing with PEGDGE or nitration reaction. Curing produced an insoluble polymeric material with excellent swelling abilities (200 % in water) and decreased glass transition temperature to −37 °C. The nitrated cross‐linked γCD was soluble in common organic solvents and underwent glass transition at +19 °C, achieving thermal stability below 190 °C. These novel γCD polymers are promising materials for applications in the pharmaceutical and food industries and environmental remediation.
Optically Active Functionalized Building Blocks for Peptidyl Olefin Peptidomimetics
Authors: Lerman Ekaterina , Levinger Shlomo , Albeck Amnon
Published: August 2021

Peptidyl olefins can function as bio‐active peptide isosteres or as intermediates in the synthesis of other peptidomimetics. We previously developed a stereoselective chemo‐enzymatic approach to optically active C‐terminal building blocks for the synthesis of peptidyl olefins. These building units include a sulfone functionality, to enable a Julia‐Kocienski reaction with N‐terminal aldehydes. Here, we extend this synthetic methodology to building blocks that are functionalized at their side chains with oxygen, nitrogen or halogen. The method features key enzymatic hydrolysis of prochiral diesters to the corresponding hydroxy esters, a step that introduces the optical activity. The ordering of the subsequent chemical reactions, either protection‐methanolysis‐functionalization or functionalization‐methanolysis‐protection, determines the absolute stereochemistry of the final building blocks.
Computational Study on Adsorption Characteristics of Phenol and Guaiacol Over Single and Multiple Nitrogen‐Doped Graphene
Authors: Agrawal Kushagra , Kishore Nanda
Published: August 2021

The experimental synthesis of nitrogen‐doped graphene (N‐doped graphene) has opened the door for its application in many catalytically important processes. In this study, the authors report the properties of N‐doped graphene, like the electron density distribution, charge distribution, electrostatic potential, etc. Subsequently, the adsorption characteristics such as the charge transfer, adsorption energy, dipole moment change, etc., are presented for the bio‐oil model compounds (phenol and guaiacol) to realize the potential of N‐doped graphene in bio‐oil deoxygenation. The density functional theory (DFT) method is employed for calculating all the aforementioned properties. It is found that doping with nitrogen significantly alters the electronic properties of graphene favourably. For strong adsorption, either a high charge transfer between the catalyst and the model compound and/or a strong delocalization of the charge on the surface is desired. Both phenol and guaiacol show similar adsorption energy on non‐defective and defective N‐doped graphene; and increasing the doping does not increase the adsorption energy on the surface.
Synthesis and Characterization of Antioxidant Biphenyl Appended 1,2,3‐Triazoles as Potential Chemo‐Sensor for Sn2+ Ions: Excellent Selectivity and Low Detection Limit
Authors: Singh Gurjaspreet , Priyanka  , Sushma  , Pawan  , Mohit  , Satija Pinky , Esteban Maria Angeles , González‐Silvera D. , Espinosa‐Ruíz Cristóbal
Published: August 2021

Designing of chemo‐sensors is a new scope of intrigue among researchers. After inspecting the beneficial and harmful effects of Sn(II) metal ions in living species, 1,2,3‐ Triazole based chemo‐sensor 4 a have been synthesized via click route. In the current article, literarily new 1,2,3‐Triazoles (4 a–4 d) have been synthesized and identified via various spectroscopic means such as NMR(1H & 13C), IR and mass spectrometry. Triazole 4 a was explored for recognition properties via absorption and emission spectroscopy and found specific and selective for Sn(II) metal ions. The recognition of Sn2+ metal ions by probe 4a was not interfered because of other tested metal cations. The probe has very low detection limit of 0.47×10−7 M and 3.8×10−9 M via ultraviolet and fluorescence spectroscopy respectively which is lower than many previously reported sensors. The B−H plot and stern volmer's plot confirmed a high binding affinity between probe 4a and tin (II) metal ion. The association constant (Ka) and stern volmer constant (Ksv) were calculated as 13.36×105 M−1 and 12.6×106 M−1 from B−H plot and stern volmer's plot respectively. The Stoichiometric ratio between chemo‐sensor 4 a and Sn2+ metal ions was confirmed as 1 : 1 by the job's plot. Moreover, in this study, the synthesized compounds 4(a–d) were examined for their antioxidant properties. The total antioxidant activity (TAA) results indicate that the synthesized triazoles 4(a–d) found to be excellent postulant for radical scavenging. TAA values for 4 a, 4 b, 4 c and 4 d are found to be 4.65±0.2, 6.79±0.3, 6.29±0.2, 5.06±0.1 (mM)(eq. ascorbic acid) per 100 mM of particle respectively.
Determination of Angelica archangelica’s Antioxidant Capacity and Mineral Content
Authors: Topal Meryem , Ozturk Sarıkaya S. Beyza , Topal Fevzi
Published: August 2021

The aim of this study was to determine the mineral contents by ICP‐MS and the antioxidant capacity of Angelica archangelica plant, which is not well known in the literature. For this purpose, ethyl alcohol extracts of the branches and leaves of the plant; different bioanalytical methods such as reducing capacity by Fe3+−Fe2+ transformation method, Fe3+‐TPTZ reducing capacity by FRAP method, Cu2+‐Cu+ reducing capacity by CUPRAC method, the ferric ions (Fe2+) chelating activity by using bipyridyl reagent, DPPH (1,1‐diphenyl‐2‐picryl‐hydrazyl) free radical, DMPD (N,N‐dimethyl‐p‐phenylenediamine), ABTS (2,2’‐azino‐bis(3‐ethylbenzthiazoline‐6‐sulfonic acid) radical scavenging activities, total antioxidant activity determination according to thiocyanate method, total phenolic and total flavonoid activity were used. As standard, BHT, BHA, α‐Tocopherol, Trolox were used. A. archangelica branches and leaves demonstrated 88.13 % and 93.90 % inhibition of linoleic acid emulsion peroxidation at 20 mg mL−1 concentration. Also, it was determined that both leaves and branches of A. archangelica plant were dense with P, Mg, Ca and K minerals with ICP‐MS device. It is considered that the results of the manuscript will guide the antioxidant studies, medicine, cosmetics, pharmacology and food sector.
Design, Synthesis and Conformational Studies of Cyclic Tetrapeptides having βγ Fused Turns as HDAC Inhibitors
Authors: Ghosh Uttam , Basu Moumita , Pal Sudip , Meena Sanjeev , Datta Dipak , Ampapathi Ravi Sankar , Kundu Tapas K , Singh Gajendra , Chakraborty Tushar Kanti
Published: August 2021

Histone deacetylases (HDACs) belong to a class of major targets for the development of anticancer drugs for which cyclic peptide‐based molecules are attracting wide attention. Here we show the synthesis, conformational and in silico analysis of tetrahydrofuran amino acid (TAA) based 15‐membered cyclic tetrapeptides (CTPs) containing hydroxamic acid side chain as potential HDAC inhibitors. NMR based solution studies in protected and deprotected forms reveal that the macrocycles are stabilized by 10‐membered β‐turn as well as a 7‐membered γ‐turn. This type of fused structures within the same macrocycle is not frequently sighted. Our initial in silico docking results indicated that the hydroxamic acid protected CTPs show promising binding with the class‐1 HDACs. We also noticed that the C‐chain with hydroxamic functional group attached on the ornithine sidechain did not affect the core structure of the peptide ring. Moreover, some of these cyclic tetrapeptides with hydroxamic acid side chain exhibited an induction of acetylation of histones on preliminary cell‐based experiments. Our initial results provide an insight into the development of HDAC inhibitors based on the CTPs with novel βγ fused turns which have not been explored yet.
Zinc‐Catalyzed Depolymerization of the End‐of‐Life Poly(ethylene 2,5‐furandicarboxylate)
Authors: Alberti Christoph , Matthiesen Konstantin , Wehrmeister Moritz , Bycinskij Sergej , Enthaler Stephan
Published: August 2021

The depolymerization of end‐of‐life polymers to valued chemicals (waste‐to‐chemicals) can be a suitable tool for the transformation from a linear to a circular economy. Therefore, the depolymerization of end‐of‐life poly(ethylene 2,5‐furandicarboxylate), discussed as sustainable substitute of poly(ethylene terephthalate), was studied. In more detail, in the presence of catalytic amounts of zinc(II) acetate poly(ethylene 2,5‐furandicarboxylate) was converted by methanolysis to dimethyl 2,5‐furandicarboxylate and ethylene glycol using microwave heating. Turnover frequencies up to 396 h1 were realized. Interestingly, the products dimethyl 2,5‐furandicarboxylate and ethylene glycol can be used as building blocks for the zinc‐catalyzed resynthesis of poly(ethylene 2,5‐furandicarboxylate); therefore a recycling is realizable.
Enantioselective Synthesis of 3‐Acetyl Coumarin Substituted 3‐Hydroxy Oxindoles and Pyranocoumarin Fused Spirooxindoles
Authors: Pratap Reddy Gajulapalli V. , Kumarswamyreddy Nandarapu , Lokesh Kanduru , Kesavan Venkitasamy
Published: August 2021

Enantioselective construction of bioinspired coumarin and oxindole hybrid structures always enduring challenges in organic chemistry due to the generation of asymmetric quaternary/spiro center at the C3 position of oxindole. Herein, we demonstrated a facile enantioselective synthesis of highly functionalized 3,3’‐disubstituted oxindole derivatives containing 3‐acetyl coumarins and pyranocoumarin fused spirooxindoles using L‐proline derived bifunctional thiourea organocatalyst through Aldol reaction and Michael addition/cyclization. The L‐proline derived thiourea catalyst well performed with broad substrate scope to produce desired products in very good yields (up to 95 %) and excellent enantioselectivities (up to 99 % ee).
BiOBr/NiO S‐Scheme Heterojunction Photocatalyst for CO2 Photoreduction
Authors: Wang Zhongliao , Cheng Bei , Zhang Liuyang , Yu Jiaguo , Tan Haiyan
Published: August 2021

Artificial photosynthesis by CO2 photoreduction is an ideal channel for mitigating the greenhouse effect and energy crises. Nevertheless, its efficiency is still low due to severe charge recombination and sluggish kinetics. Herein, an S‐scheme BiOBr/NiO heterojunction, composed of two kinds of p‐type semiconductors, exhibits enhanced CO2 photoreduction activity. Enhanced light absorption and specific surface area are attributable to NiO nanosheets with hierarchical porous structures. Results from in situ irradiated X‐ray photoelectron spectroscopy and work function calculation manifest that the photoexcited electrons transfer from BiOBr to NiO via the S‐scheme mechanism. And charge separation and a strong redox ability are simultaneously realized. In situ diffuse reflectance infrared Fourier transform spectra unveil complex intermediates in CO2 photoreduction. This work presents a novel understanding for the CO2 photoreduction mechanism of S‐scheme heterojunctions built by p‐type semiconductors by integrating in situ monitoring techniques with density functional theory calculation.
Presence of antibodies to Crimean Congo haemorrhagic fever virus in sheep in Tunisia, North Africa
Authors: Khamassi Khbou Médiha , Romdhane Rihab , Bouaicha Zaafouri Faten , Bouajila Mohsen , Sassi Limam , Appelberg Sofia K. , Schulz Ansgar , Mirazimi Ali , Groschup Martin H. , Rekik Mourad , Benzarti M'hammed , Gharbi Mohamed
Published: August 2021

Crimean–Congo haemorrhagic fever (CCHF) is an emerging tick‐borne disease causing severe and fatal haemorrhagic syndrome in humans. Hyalomma spp. ticks are the primary vectors and sheep are important CCHF virus (CCHFV)‐amplifying hosts. In this study, blood samples and ticks collected in October 2019 from 270 sheep from 15 farms across Tunisia constituted the main research material. Moreover, the sera of the same animals taken at different periods between 2018 and 2019 were also used to obtain comparative results. To investigate the presence of anti‐CCHFV antibodies in sheep, all sera were tested using ELISA. Reactive sera were further characterised by a virus neutralisation test (VNT). Overall, one out of the 270 tested sheep was both ELISA‐ and strongly VNT‐positive to CCHFV. Another two sheep were borderline ELISA‐positive but did not exhibit neutralising antibodies. Ninety‐one ticks were collected from all sampled sheep, of which 34 (37.4%) belonged to Hyalomma spp. This is the first report of anti‐CCHFV antibodies in sheep from Tunisia. Both the results of this study and the recent CCHFV detection in ticks collected from camels in southern Tunisia indicate that further studies are needed to determine the competent tick vector in the country and to characterise the epidemiological cycle of CCHFV.
Synergistic effect of talc/calcined kaolin binary fillers on rigid PVC: Improved properties of PVC composites
Authors: Mallem Oum Keltoum , Zouai Foued , Gumus Omer Yunus , Benabid Fatma Zohra , Bedeloglu Ayse Celik , Benachour Djafer
Published: August 2021

This study aims to develop poly(vinyl chloride) (PVC) composites prepared by melt mixing by using a combination of talc and calcined kaolin as filler in order to improve the disadvantages of rigid PVC, which is widely used in industry, such as poor mechanical properties and low thermal stability. In addition, PVC/talc and PVC/calcined kaolin composites were also examined for comparison. The calcined kaolin is modified with urea to increase the surface area (chemical treatment), while the surface of both fillers is coated with stearic acid for good compatibility with PVC (mechanical treatment). Scanning electron microscopy micrographs showed homogeneous distribution of mechanically processed fillers. Attenuated total reflectance–Fourier‐transform infrared spectroscopy analysis revealed successful coating of the fillers with stearic acid. Also, new bands were detected in the spectrum of urea‐treated calcined kaolin, showing an effective chemical treatment. It has been observed that the treatment of fillers improves the mechanical properties of PVC. Thermogravimetric results showed that delaminated calcined kaolin increased the thermal stability of PVC composites. The results of this study proved that binary filler composites combine good properties of both (synergistic effect) and good filler dispersion can be obtained by using stearic acid and urea.
$$ \mathcal{N} $$ = 4 supersymmetric Yang-Mills thermodynamics to order λ2
Authors: Du Qianqian , Strickland Michael , Tantary Ubaid
Published: August 2021

Abstract

We calculate the resummed perturbative free energy of$$ \mathcal{N} $$N= 4 supersymmetric Yang-Mills in four spacetime dimensions (SYM4,4) through second order in the ’t Hooft couplingλat finite temperature and zero chemical potential. Our final result is ultraviolet finite and all infrared divergences generated at three-loop level are canceled by summing over SYM4,4ring diagrams. Non-analytic terms at$$ \mathcal{O} $$O(λ3/2) and$$ \mathcal{O} $$O(λ2logλ) are generated by dressing theA0and scalar propagators. The gauge-field Debye massmDand the scalar thermal massMDare determined from their corresponding finite-temperature self-energies. Based on this, we obtain the three-loop thermodynamic functions of SYM4,4to$$ \mathcal{O} $$O(λ2). We compare our final result with prior results obtained in the weak- and strong-coupling limits and construct a generalized Padé approximant that interpolates between the weak-coupling result and the large-Ncstrong-coupling result. Our results suggest that the$$ \mathcal{O} $$O(λ2) weak-coupling result for the scaled entropy density is a quantitatively reliable approximation to the scaled entropy density for 0 ≤λ≲ 2.
Subsubleading soft graviton symmetry and MHV graviton scattering amplitudes
Authors: Banerjee Shamik , Ghosh Sudip , Samal Sai Satyam
Published: August 2021

Abstract

In [8] it was shown that supertranslation and $$ \overline{\mathrm{SL}\left(2,\mathbb{C}\right)} $$

SL

2
ℂ

¯

current algebra symmetries, corresponding to leading and subleading soft graviton theorems, are enough to determine the tree level MHV graviton scattering amplitudes. In this note we clarify the role of subsubleading soft graviton theorem in this context.
Force distribution in self-tapping screws: experimental investigations with fibre Bragg grating measurement screws
Authors: Claus Timo , Seim Werner , Küllmer Johannes
Published: August 2021

The pull-out resistance of fully threaded, self-tapping screws under axial loading has been investigated intensively in the past. Actual design models are based mainly on empirical data because the detailed interaction between the screw thread and the surrounding timber member remains unclear and might depend on the test set-up. An innovative screw sensor with 19 internal fibre Bragg gratings (FBGs) was developed to measure the forces along the screw axis. The screw diameter was 12 mm and the maximum embedding length was 360 mm. The FBG measurement screw was applied in pull-out tests under different support conditions. The results carried out show details of the axial forces along fully threaded screws depending on the magnitude of the screw axis to grain angle, the embedding length, the material and the support conditions. Load transfer between the screw and the surrounding timber was determined by means of the change of axial forces along the screw axis. A comparison of the experimental results with Volkersen’s theory points out the decisive dependency of the support conditions on the axial forces in fully threaded self-tapping screws. Additionally, the experimental test results show indications of shear and compressive stresses in the interface of the measurement screw.
Surface smoothing for topological optimized 3D models
Authors: Bacciaglia Antonio , Ceruti Alessandro , Liverani Alfredo
Published: August 2021

The topology optimization methodology is widely applied in industrial engineering to design lightweight and efficient components. Despite that, many techniques based on structural optimization return a digital model that is far from being directly manufactured, mainly because of surface noise given by spikes and peaks on the component. For this reason, mesh post-processing is needed. Surface smoothing is one of the numerical procedures that can be applied to a triangulated mesh file to return a more appealing geometry. In literature, there are many smoothing algorithms available, but especially those based on the modification of vertex position suffer from high mesh shrinkage and loss of important geometry features like holes and surface planarity. For these reasons, an improved vertex-based algorithm based on Vollmer’s surface smoothing has been developed and introduced in this work along with two case studies included to evaluate its performances compared with existent algorithms. The innovative approach herein developed contains some sub-routines to mitigate the issues of common algorithms, and confirms to be efficient and useful in a real-life industrial context. Thanks to the developed functions able to recognize the geometry feature to be frozen during the smoothing process, the user’s intervention is not required to guide the procedure to get proper results.
A tale of two graph models: a case study in wireless sensor networks
Authors: Archibald Blair , Kulcsár Géza , Sevegnani Michele
Published: August 2021

Designing and reasoning about complex systems such as wireless sensor networks is hard due to highly dynamic environments: sensors are heterogeneous, battery-powered, and mobile. While formal modelling can provide rigorous mechanisms for design/reasoning, they are often viewed as difficult to use. Graph rewrite-based modelling techniques increase usability by providing an intuitive, flexible, and
diagrammatic
form of modelling in which graph-like structures express relationships between entities while rewriting mechanisms allow model evolution. Two major graph-based formalisms are Graph Transformation Systems (GTS) and Bigraphical Reactive Systems (BRS). While both use similar underlying structures, how they are employed in modelling is quite different. To gain a deeper understanding of GTS and BRS, and to guide future modelling, theory, and tool development, in this experience report we compare the
practical
modelling abilities and style of GTS and BRS when applied to topology control in WSNs. To show the value of the models, we describe how analysis may be performed in both formalisms. A comparison of the approaches shows that although the two formalisms are different, from both a theoretical and practical modelling standpoint, they are each successful in modelling topology control in WSNs. We found that GTS, while featuring a small set of entities and transformation rules, relied on entity attributes, rule application based on attribute/variable side-conditions, and imperative control flow units. BRS on the other hand, required a larger number of entities in order to both encode attributes directly in the model (via nesting) and provide tagging functionality that, when coupled with rule priorities, implements control flow. There remains promising research mapping techniques between the formalisms to further enable flexible and expressive modelling.
The Efficacy, Safety, and Side Effects of Intrapericardial Triamcinolone Treatment in Children with Post-surgical Pericardial Effusion: A Case Series
Authors: van der Werff Manon H. , van der Kamp Hetty J. , Breur Johannes M. P. J.
Published: August 2021

Intrapericardial triamcinolone can be used to treat chronic pericardial effusion (PE) in adults; however, pediatric data are lacking. In this case series we aim to evaluate the efficacy, safety, and side effects of intrapericardial triamcinolone in children with PE. The incidence and treatment of post-surgical PE from 2009 to 2019 were determined using the institutional surgical database and electronic patient records. Furthermore, a retrospective analysis of efficacy, safety, and side effects of intrapericardial triamcinolone treatment for chronic post-surgical PE was performed. The incidence of postoperative PE requiring treatment was highest after atrial septal defect (ASD) closure when compared to other types of cardiac surgery (9.7% vs 4.3%). Intrapericardial treatment with triamcinolone resolved pericardial effusion in 3 out of 4 patients. All patients developed significant systemic side effects. Surgical ASD closure is associated with an increased risk of development of PE requiring treatment. Intrapericardial triamcinolone is an effective treatment for chronic postoperative PE in children, but is always associated with significant systemic side effects. Close monitoring and treatment of adrenal insufficiency are mandatory in these cases.