bluuebunny/crossref_metadata_2025 huggingface dataset:
Screening of a Benzimidazole Derivative for Anthelmintic Activity with "Rule of 5" Approach
Authors: Meher Chaitanya Prasad , Meher Vijaya Kumar , Pradhan Dharmendra , Meher Ashish Kumar , Sahu Subodha Chandra , Sahu Soumitri
Published: February 2022

Purpose: Synthetic chemistry is an important route to develop new therapeutics for every disease. The presented research is focusing on the design, synthesis, evaluation, and Lipinski’s rule approach for a new biologically active benzimidazole derivative.

Methods: The synthesis comprises the reaction between lactic acid and o-phenylenediamine (OPD) to produce a corresponding product followed by self-condensation for obtaining a complex multiple.

Results: The newly produced composite was found to hold weighty anthelmintic property when we compared the same with Albendazole(Standard drug). When the concentration of the desired compound increases paralysis as well as death time found to decreases respectively. 50µg/ml of the synthesized drug gave a time for paralysis is 30.43 ± 5.33 min & time for death is 0.56 ± 5.32 min.

Conclusion: The synthesized final compound showed to have anthelmintic activity and its orally active property was also predicted from the Molinspiration software using physicochemical (RO5) as well as bioactive limits. It can be used for anthelmintic drugs as an oral formulation.
Hepatoprotective and Antioxidant Potential of the Sulphated Polysaccharides Fraction of Turbinaria ornata against paracetamol-induced Liver Damage in Rats
Authors: Ravindran N. T. , Sadiq A. Mohamed
Published: February 2022

Aims: To assess the potential of the sulphated polysaccharides fraction from brown marine alga Turbinaria ornata in protecting the liver damage induced by high dose of paracetamol.

Study Design: In the present work, liver damage was induced in rats with paracetamol. Simultaneously other groups of rats were given standard drug or Turbinaria ornata sulphated polysaccharides fraction. From the rats’ serum, parameters like alanine aminotransferase, aspartate aminotransferase, alkaline phosphatase, lactate dehydrogenase, γ-glutamyl transferase, total bilirubin, total protein, cholesterol, triglycerides and reduced glutathione were determined; and from the liver homogenate, reduced glutathione and antioxidant enzymes such as superoxide dismutase, catalase and glutathione peroxidase were determined for the evaluation of the hepatoprotective and antioxidant potential of the sulphated polysaccharides fraction from Turbinaria ornata.

Place and Duration of Study: Department of Biochemistry, Adhiparasakthi College of Arts and Science (Autonomous), G.B. Nagar, Kalavai – 632 506, Tamil Nadu, India.

Methodology: This study was performed using Wistar albino rats divided into six groups. Group 1 Control group. Groups 2, 3, 4, 5, and 6 received paracetamol (2 g/kg) for 7 days. In addition to paracetamol, group 3 received silymarin (100 mg/kg), groups 4, 5 and 6 received Turbinaria ornata sulphated polysaccharides fraction at the doses of 50, 100 and 200 mg/kg respectively for 7 days. On the 8th day, serum and liver samples were collected from the animals and the hepatoprotective and antioxidant activities were assessed by studying the levels of liver marker enzymes, bilirubin, protein, reduced glutathione and antioxidant enzymes.

Results: Turbinaria ornata sulphated polysaccharides fraction, at the tested doses, restored the levels of all serum markers and enzymes (aspartate aminotransferase, alanine aminotransferase, alkaline phosphatase, lactate dehydrogenase, γ-glutamyl transferase, total bilirubin, total protein, cholesterol, triglycerides and reduced glutathione) as well as liver homogenate antioxidant markers (reduced glutathione, superoxide dismutase, catalase and glutathione peroxidase) significantly, in dose-dependent manner.

Conclusion: This study suggests that the Turbinaria ornata sulphated polysaccharides fraction has a hepatoprotective effect against paracetamol-induced liver damage and possess antioxidant activities.
Effect of Carica Seed Extract on Inhibitory Kappa B Kinase Beta and mTOR mRNA Expression in Lung Cancer Cells (A549 Cells)
Authors: Azimudin Ridha , Preetha S. , Selvaraj J. , G Sridevi , M Jeevitha
Published: February 2022

Background: Lung cancer is considered as one of the most common causes for cancer-related death globally. Carica papaya is one of the most well-known traditional medicines to treat diseases, and is also known to treat cancer and help in cancer prevention. The study investigates the effect of Carica seed extract on inhibitory kappa B kinase beta and mTOR mRNA expression in lung cancer cells (A549 cells).

Methods: Cell viability test was assessed using MTT assay. mRNA expression of inhibitory kappa B kinase beta and mTOR mRNA was analyzed by real-time PCR. The results was analysed statistically by ANOVA and Duncan multiple range test with graphpad prism version 5 software. p<0.05 was considered significant.

Results: It was observed that there wasmaximum inhibition (50%) at 400-500µg/ml of Carica seed extract. It was also found that the fold change over control of mTOR mRNA expression was significant at 500µg/ml of Carica seed extract and the fold change over control of IKKB mRNA expression was significant (p<0.05) at 400µg/ml in cancer cells treated with Carica seed extract.

Conclusion: Thus concluding that Carica seed extract has been found to have significant anticancer property on A549 lung cancer cell lines, and can be used as a natural product in combating lung cancer.
Development of a Natural Language Processing System for Extracting Rheumatoid Arthritis Outcomes From Clinical Notes Using the National Rheumatology Informatics System for Effectiveness Registry
Authors: Humbert‐Droz Marie , Izadi Zara , Schmajuk Gabriela , Gianfrancesco Milena , Baker Matthew C. , Yazdany Jinoos , Tamang Suzanne
Published: February 2022

Objective

To accelerate the use of outcome measures in rheumatology, we developed and evaluated a natural language processing (NLP) pipeline for extracting these measures from free‐text outpatient rheumatology notes within the American College of Rheumatology's Rheumatology Informatics System for Effectiveness (RISE) registry.

Methods

We included all patients in RISE (2015–2018). The NLP pipeline extracted scores corresponding to 8 measures of rheumatoid arthritis (RA) disease activity (DA) and functional status (FS) documented in outpatient rheumatology notes. Score extraction performance was evaluated by chart review, and we assessed agreement with scores documented in structured data. We conducted an external validation of our NLP pipeline using data from rheumatology notes from an academic medical center that is not included in the RISE registry.

Results

We processed over 34 million notes from 854,628 patients, 158 practices, and 24 electronic health record (EHR) systems from RISE. Manual chart review revealed a sensitivity, positive predictive value (PPV), and F1 score of 95%, 87%, and 91%, respectively. Substantial agreement was observed between scores extracted from RISE notes and scores derived from structured data (κ = 0.43–0.68 among DA and 0.86–0.98 among FS measures). In the external validation, we found a sensitivity, PPV, and F1 score of 92%, 69%, and 79%, respectively.

Conclusion

We developed an NLP pipeline to extract RA outcome measures from a national registry of notes from multiple EHR systems and found it to have good internal and external validity. This pipeline can facilitate measurement of clinical‐ and patient‐reported outcomes for use in research and quality measurement.
Dual Modulated SiO Particles by Graphene Cord and Si/SiO2 Composite for High‐Performance Lithium‐Ion Battery Anodes
Authors: Zhao Hongda , Ding Xuli , Zhang Ning , Chen Xiaojing , Xu Jiahao , He Pengfei
Published: February 2022

To dispose the fragility and poor conductivity problems of SiO‐based anode materials, a “phase change mediation combined with cord reinforcing” concept is proposed, in which graphene cord is in situ fabricated combined with Si and SiO2 nanodomains generated in the SiO matrix via chemical vapor deposition. Being the fabricated composite, graphene cord not only bridges but also wraps the SiO particles, improving the electrical conductivity and flexibility of the fabricated SiO@Gra anode. Moreover, the increased SiO2 regions in the Si/SiO matrix alleviate volume change and release the strain for Li+ insertion, enhancing the tenacity of the SiO electrode according to the phase transformation flexibility mechanism. Besides, the grain boundaries and interfaces among the Si/SiO2/SiO regions contribute to additional Li+ storage and pledge more channels for Li+ transfer and electrolyte wetting. The merit of Si/SiO2/SiO synergistically contributes to the ascendant electrochemical performance of the SiO anodes. The as‐fabricated SiO@Gra anodes deliver a high reversible capacity of 1127 mAh g−1 at 0.2 A g−1 with 87% capacity retention after 200 cycles. The proposed phase change and cord reinforcing not only deepen the understanding of the electrochemical reaction mechanism of Li+ in SiO, but also inspire a rational design tactic for advanced lithium‐ions batteries.
Structural Color on Pencil Lead Formed by Plasma Etching
Authors: Moriwaki Hiroshi , Kamine Tomoya , Kawabe Yukari , Okada Yusuke
Published: February 2022

The development of a simple and rapid technique to form structural colors would be an important step to achieve the coloring without dyes containing toxic organic dyes or heavy metals. Here, a novel method to form structural color using plasma etching is presented. The structural color is reproducibly formed by the plasma irradiation of the surface of a pencil lead for 40–120 s. The color changes with the plasma irradiation time. The formed colors exhibit a luster and turn blue, yellow, red‐purple, blue, green, or pale red by the plasma irradiation time of 40, 60, 80, 90, 100, and 120 s, respectively. The surface asperities due to the removals of the graphite at the surface of the pencil lead by the plasma etching are changed by the irradiation time. This causes the changes in the structural color of the pencil lead. The coloring by this method can easily control the colored part by using a masking plastic plate. Furthermore, a paper painted with a pencil is also colored by the plasma treatment. The presented method is a simple and rapid technique to form structural colors and can be applied for coloring without dyes.
Engineering ROS‐Responsive Bioscaffolds for Disrupting Myeloid Cell‐Driven Immunosuppressive Niche to Enhance PD‐L1 Blockade‐Based Postablative Immunotherapy
Authors: Li Shaoyue , Zhu Chunyan , Zhou Xianli , Chen Liang , Bo Xiaowan , Shen Yuting , Guan Xin , Han Xiaoxia , Shan Dandan , Sun Liping , Chen Yu , Xu Huixiong , Yue Wenwen
Published: February 2022

The existence of inadequate ablation remains an important cause of treatment failure for loco‐regional ablation therapies. Here, using a preclinical model, it is reported that inadequate microwave ablation (iMWA) induces immunosuppressive niche predominated by myeloid cells. The gene signature of ablated tumor presented by transcriptome analyses is highly correlated with immune checkpoint blocking (ICB) resistance. Thus, an in situ scaffold with synergistic delivery of IPI549 and anti‐programmed death‐ligand 1 blocking antibody (aPDL1) for postablative cancer immunotherapy is designed and engineered, in which IPI549 capable of targeting myeloid cells could disrupt the immunosuppressive niche and subsequently improve ICB‐mediated antitumor immune response. Based on five mouse cancer models, it is demonstrated that this biomaterial system (aPDL1&IPI549@Gel) could mimic a “hot” tumor‐immunity niche to inhibit tumor progression and metastasis, and protect cured mice against tumor rechallenge. This work enables a new standard‐of‐care paradigm for the immunotherapy of myeloid cells‐mediated “cold” tumors after loco‐regional inadequate practices.
Digital Image Correlation Compatible Mechanoluminescent Skin for Structural Health Monitoring
Authors: Shin Ho Geun , Timilsina Suman , Sohn Kee‐Sun , Kim Ji Sik
Published: February 2022

Monitoring structural health using mechanoluminescent (ML) effects is widely considered as a potential full‐field and direct visualizing optical method with high spatial and temporal resolution and simple setup in a noncontact manner. The challenges and uncertainties in the mapping of ML field to effective strain field, however, tend to limit significant commercial ML applications for structural health monitoring systems. Here, however, quantification problems are resolved using the digital image correlation (DIC) method. Specifically, an image containing mechanically induced photon information is processed using a DIC algorithm to measure the strain field components, which enables the establishment of a calibration curve when the ML field is mapped onto the effective strain field using pixel level information. The results show a linear relationship between effective strain and ML intensity despite the plastic flow in ML skin. Furthermore, the calibration curve allows for easy conversion of ML field to effective‐strain field at the crack‐tip plastic zone of the alloy structure, retaining its spatial resolution. The compatibility of ML skin with the DIC algorithm not only enables the quantification of the ML effects of several organic/inorganic ML materials, but may also be useful in elucidating the fundamentals of the trap‐controlled mechanism.
Clinical and biochemical outcomes in cobalamin C deficiency with use of high‐dose hydroxocobalamin in the early neonatal period
Authors: Kacpura Abigail , Frigeni Marta , Gunther Kathryn , Farach Laura
Published: February 2022

This case report describes a patient with early‐onset cobalamin C deficiency who was started on treatment with high‐dose parenteral hydroxocobalamin after diagnosis at 13 days of life. Prior to diagnosis, initial presenting symptoms included poor feeding, lethargy, apneic episodes, hypothermia, and hypotonia; these symptoms resolved after initiation of medication. Methylmalonic acid and homocysteine levels were trended and significantly improved with treatment. She was maintained on 2 mg/kg/day dosing of hydroxocobalamin. No adverse effects to treatment were observed. At the time of this report, the patient was 19 months of age; she had not manifested common findings of early‐onset cobalamin C deficiency, including microcephaly, poor feeding, growth abnormalities, hypotonia, seizures, maculopathy, or neurodevelopmental delay. This report suggests that early initiation of high‐dose hydroxocobalamin is safe and effective.
Recent Advances on DNAzyme‐Based Sensing
Authors: Huang Zhimei , Wang Xiangnan , Wu Zhenkun , Jiang Jian‐Hui
Published: February 2022

Owing to the high sensitivity, excellent programmability, and flexible obtainment through in vitro selection, RNA‐cleaving DNAzymes have attracted increasing interest in developing DNAzyme‐based sensors. In this review, we summarize the recent advances on DNAzyme‐based sensing applications. We initially conclude two general strategies to expand the library of DNAzmes, in vitro selection to discover new DNAzymes towards different targets of interest and chemical modifications to endue the existing DNAzymes with new function or properties. We then discuss the recent applications of DNAzyme‐based sensors for the detection of a variety of important biomoleucles both in vitro and in vivo. Finally, perspectives on the challenges and future directions in the development of DNAzyme‐based sensors are provided.
Activation of Positive Cooperativity by Size‐Mismatch Assembly via Inclination of Guests in a Single‐Site Receptor
Authors: Matsuno Taisuke , Takahashi Kanato , Ikemoto Koki , Isobe Hiroyuki
Published: February 2022

A halogenated bowl‐shaped guest, corannulene, was encapsulated in a cylindrical host, [4]cyclochrysenylene, to form a bowl‐in‐tube complex, which mimicked supramolecular complexes between bowl guests and carbon nanotubes. As was the case with carbon nanotubes, the cylindrical space of [4]cyclochrysenylene trapped multiple corannulene molecules in an array, and 1 : 2 complexes were commonly obtained with the corannulene guests with various halogen substituents (F, Cl, Br and I). Careful statistical analyses of isothermal titration calorimetry data succeeded in revealing the stoichiometry, and the molecular structures of the 1 : 2 complexes were further clarified by X‐ray crystallographic analyses. Two fluorinated corannulene guests were stacked perpendicular to the cylinder axis, while two chlorinated guests were stacked with inclined orientations. The structural difference resulted in a large difference in the cooperativity of the two‐stage association in solution: fluorinated corannulene guests showed negative cooperativity for the 1 : 2 complexation, and the other, larger halogenated corannulene guests showed positive cooperativity.
Growth of Hybrid Perovskite Films via Single‐Source Perovskite Nanoparticle Evaporation
Authors: Yadav Rekha , Roy Mrinmoy , Banappanavar Gangadhar , Aslam M.
Published: February 2022

Herein, we demonstrate a vacuum‐based evaporation approach to fabricate organic‐inorganic perovskite thin films by using phase‐formed halide perovskite nanoparticles (NPs) as a precursor/source. We are able to consistently obtain MAPbX3 (MA=CH3NH3 and X=Cl, Br or I) thin films at various substrates (e. g., glass, ITO, or plastic). The perovskite phase formation in thin film form is confirmed by x‐ray diffraction (XRD) studies. Small micro‐strain (tensile) values of 1.64×10−3, 1.42×10−3 and 6.85×10−4 obtained for MAPbCl3, MAPbBr3 and MAPbI3 films respectively from Williamson‐Hall equation indicate low structural distortions in perovskite thin films. The absorption spectra of thin films show sharp band edge having direct band gap, which is followed by narrow full width at half maxima (FWHM ∼0.1 eV) of the emission peak. Thin films of MAPbCl3, MAPbBr3 and MAPbI3 show direct band gap of 3.1 eV, 2.4 eV and 1.6 eV, respectively. Small Urbach energy values of 33 meV, 44 meV and 66 meV for MAPbCl3, MAPbBr3 and MAPbI3 films respectively indicates low defect density in various perovskite films. Scanning electron microscopy (SEM) along with energy‐dispersive X‐ray spectroscopy (EDS) shows high surface coverage and uniform chemical composition of MAPbX3 (X=Cl, Br and I) thin films deposited by the present method. We have successfully controlled the film thickness from 250 nm to 1 μm by varying the nanoparticle precursor amount. The perovskite thin films deposited by the present method are highly stable against the degradation under ambient conditions. Systematic XRD studies along with absorption data demonstrate that the MAPbCl3 and MAPbBr3 films stored under ambient conditions remained stable for more than 30 days and MAPbI3 films for more than 7 days.
Forensic medical examinations: The body as gateway to healing after child sexual abuse
Authors: O' Keeffe Noelle , McElvaney Rosaleen
Published: February 2022

Despite consensus that the forensic medical examination is an integral component to a comprehensive response to child sexual abuse (CSA), concerns have been expressed about the impact of these examinations on children and young people. A small‐scale survey was conducted with a group of CSA professionals (n = 19), followed by semi‐structured interviews with six adolescents, accessed through CSA specialist units in Ireland. While concerns were expressed about the examination, overall, professionals were in favour of it as part of a holistic therapeutic response to CSA. Five themes were identified from the interviews with adolescents: the experience of the examination as an imposition, the unknown nature of the examination, the focus on the body itself, feeling exposed and having a say. Findings highlight how a trauma‐informed approach, with emphasis on information sharing and supporting the autonomy of the young person's voice and choice throughout the process, could provide a transformative experience for young people, helping them integrate their psychological and physical sense of themselves. The forensic medical examination can facilitate the healing and recovery process by bringing into awareness many of the anxieties that, due to shame or inability to tolerate associated emotional pain, remain unspoken and unspeakable following CSA.
Chemical Vapor Deposition for Advanced Polymer Electrolyte Fuel Cell Membranes
Authors: Bellomo Nicolas , Michel Marc , Pistillo Bianca Rita , White Robin J. , Barborini Emanuele , Lenoble Damien
Published: February 2022

Fuel cells will play a critical role in a renewable energy powered society, whether in mobility or stationary applications. Certain challenges remain to be addressed if performance and cost dynamics of these systems is to achieve large scale, high unit number roll out. This review deals with polymer electrolyte membrane‐based fuel cells with a specific focus on membrane materials and their innovative fabrication based on chemical vapor deposition (CVD) approaches. These deposition techniques are introduced, as are the potential improvements relating to cell performance, namely proton conductivity and stability. The potential benefits of applying CVD‐based synthesis in the fabrication of polymer electrolytes is also discussed with respect to future fuel cell development.
Cation‐Structure Effects on Zinc Electrodeposition and Crystallographic Orientation in Ionic Liquids
Authors: Shimizu Masahiro , Sugiyama Yusuke , Horita Masaomi , Yoshii Kazuki , Arai Susumu
Published: February 2022

The electrochemical behavior of Zn deposition in room temperature ionic liquids consisting of bis(trifluoromethanesulfonyl)amide (TFSA−) combined with N‐propyl‐N‐methylpyrrolidinium (Pyr1,3+) or 1‐ethyl‐3‐methylimidazolium (EMI+) was investigated in terms of their physicochemical properties and dissolved Zn2+ species. The effect of cation structure was examined not only on the macroscopic morphologies, but also on the microscopic aspects of crystallographic orientation of Zn deposits obtained from [Zn(TFSA)2]0.1[Cation‐TFSA]0.9. Electron backscattered diffraction revealed that the crystal grains grown in Pyr1,3‐TFSA at the current density of 0.5 mA cm−2 were much finer, compared with the sizes of those in EMI‐TFSA. This is probably because Pyr1,3 cations inhibit the surface diffusion of Zn adatoms, thus preventing growth in a specific plane direction. It was found that higher reversibility on Zn stripping needs larger crystal grains rather than polycrystalline with fine grains. The obtained results will contribute greatly to the realization of longer life batteries using Zn without resource constraints.
Explorations of New SHG Materials in Mercury Iodate Sulfate System**
Authors: Li Yi‐Lin , Ji Meng‐Ya , Hu Chun‐Li , Chen Jin , Li Bing‐Xuan , Lin Yuan , Mao Jiang‐Gao
Published: February 2022

Through systematic experiments, two novel mercury iodate sulfates, namely, Hg2(IO3)2(SO4)(H2O) and Hg2(IO3)2(SO4) were obtained. They crystallize in monoclinic space groupC2 andC2/c, respectively. Hg2(IO3)2(SO4)(H2O) exhibits the [Hg(IO3)]+polar cationic layer inherited from Hg(IO3)2and the three‐dimensional (3D) framework inherited from HgSO4. This enables Hg2(IO3)2(SO4)(H2O) to generate a strong second harmonic generation (SHG) response of 6 times that of KH2PO4(KDP). The structure of Hg2(IO3)2(SO4) is very similar to that of Hg2(IO3)2(SO4)(H2O), and they can be transformed into each other. Hg2(IO3)2(SO4)(H2O) shows a large optical band gap of 3.98 eV and a high dehydration temperature of 250 °C. This study indicates that by reasonable design, the introduction of multiple functional groups into a compound may combine their advantages to achieve good overall optical performance.
Smoking cessation services and shared decision‐making practices among lung cancer screening facilities: A cross‐sectional study
Authors: Lowenstein Lisa M. , Nishi Shawn P. E. , Lopez‐Olivo Maria A. , Crocker Laura Covarrubias , Choi Noah , Kim Bumyang , Shih Ya‐Chen “Tina” , Volk Robert J.
Published: February 2022

Background

Little is known about how screening facilities are meeting the requirements for the reimbursement of lung cancer screening from the Centers for Medicare & Medicaid Services (CMS), including 1) the collection and submission of data to the CMS‐approved registry (American College of Radiology [ACR] Lung Cancer Screening Registry), 2) the verification of a counseling and shared decision‐making (SDM) visit having occurred as part of the written order for lung cancer screening with low‐dose computed tomography, and 3) the offering of smoking cessation interventions.

Methods

The authors identified facilities in a southwestern state that were listed by either the ACR Lung Cancer Screening Registry or the GO2 Foundation Centers of Excellence. To select facilities, they used 2 purposive sampling approaches: maximum variation sampling and snowball sampling. They surveyed facilities from February to November 2019.

Results

There were 87 facilities contacted, and a total of 63 facilities representing 32 counties across Texas completed the survey. Nearly all facilities used Lung‐RADS to classify nodules (92%; n = 58) and submitted data to a CMS‐approved registry (92%; n = 57). Most facilities verified that the counseling and SDM visit had occurred (86%; n = 54). Although slightly more than half of the facilities reported always providing self‐help cessation materials (68%; n = 42), similar or higher proportions of facilities reported that they never referred smokers to onsite cessation services (68%; n = 42) or quitlines (77%; n = 47), provided cessation counseling (81%; n = 50), or recommended medications (85%; n = 52).

Conclusions

In general, screening facilities are meeting CMS requirements for screening, but they are struggling to offer smoking cessation interventions other than providing self‐help materials.
Geometric relation based point clouds classification and segmentation
Authors: Yang Wenbin , Sheng Suqin , Luo Xiangfeng , Xie Shaorong
Published: February 2022

The inherent disorder and irregularity of 3D point clouds pose great challenges to classification and segmentation tasks. To tackle these problems, we propose a geometric relation based point clouds classification and segmentation network. Specifically, we design two novel modules named geometric relation based convolution (GRC) and relational attention interpolation (RAI) to infer the local relations of point clouds. In GRC module, the convolutional weights and local features are both reasoned from predefined local geometric relations between the central point of each local point clouds and its neighboring points. The global shape awareness is obtained by stacking convolutional layers of the GRC. In RAI, a relational attention interpolation approach is proposed for the segmentation task. The attentional weights of different neighboring points are inferred from local relations of geometry and features, which is capable of guiding RAI to pay more attention to the relevant points and be sensitive to the boundaries of segments. Experimental results show that the proposed method makes full use of the geometric relations between local points, and presents good performance on both classification and segmentation tasks.
Exploring AuRh Nanoalloys: A Computational Perspective on the Formation and Physical Properties
Authors: Vanzan Mirko , Jones Robert M. , Corni Stefano , D'Agosta Roberto , Baletto Francesca
Published: February 2022

We studied the formation of AuRh nanoalloys (between 20–150 atoms) in the gas phase by means of Molecular Dynamics (MD) calculations, exploring three possible formation processes: one‐by‐one growth, coalescence, and nanodroplets annealing. As a general trend, we recover a predominance of Rh@Au core‐shell ordering over other chemical configurations. We identify new structural motifs with enhanced thermal stabilities. The physical features of those selected systems were studied at the Density Functional Theory (DFT) level, revealing profound correlations between the nanoalloys morphology and properties. Surprisingly, the arrangement of the inner Rh core seems to play a dominant role on nanoclusters’ physical features like the HOMO‐LUMO gap and magnetic moment. Strong charge separations are recovered within the nanoalloys suggesting the existence of charge‐transfer transitions.
Is shame the missing link between traumatic experiences and post‐traumatic stress disorder in Burundian children living on the streets?
Authors: Rukundo‐Zeller Anja C. , Bambonye Manassé , Mugisha Hervé , Muhoza Jean‐Arnaud , Ndayikengurukiye Thierry , Nitanga Lydia , Rushoza Amini Ahmed , Crombach Anselm
Published: February 2022

Background

Shame is an emotion reflecting an anticipated social devaluation of the self. It is strongly associated with experiences of humiliation and rejection in early life. Individuals suffering from post‐traumatic stress disorder (PTSD) often struggle with shame. However, little is known about how shame contributes to the development and maintenance of PTSD symptoms in children. The present study investigated the ways childhood exposure to human‐induced traumatic events promotes a coping mechanism of defeat and withdrawal facilitated by the experience of shame. We tested a dose–response relationship between lifetime experienced traumatic event types and PTSD in children using shame as a mediator.

Methods

We conducted semi‐structured interviews with 33 male children who lived and worked on the streets of Bujumbura, the capital of Burundi at the time of data collection. We assessed self‐reported PTSD symptom severity, lifetime traumatic event load, violence experienced on the streets and shame intensity.

Results

Mediation analyses revealed a significant indirect effect of lifetime traumatic events on PTSD symptom severity through shame intensity and a significant indirect effect of violence experienced on the streets on PTSD symptom severity through shame intensity.

Conclusion

Our study suggests the mediating role of shame between traumatic experiences as well as violent experiences and PTSD symptom severity in children living on the streets. Shame in children suffering from PTSD seems to play a crucial role in the development and maintenance of PTSD symptoms.
Biosynthesis of (R)‐(+)‐perillyl alcohol by Escherichia coli expressing neryl pyrophosphate synthase
Authors: Sun Chao , Zhang Rubing , Xie Congxia
Published: February 2022

(R)‐(+)‐perillyl alcohol is widely used in agricultural and anticarcinogenic fields. Microbial production of (R)‐(+)‐perillyl alcohol was investigated in this study. We optimized biosynthesis of (R)‐(+)‐perillyl alcohol in Escherichia coli by using neryl pyrophosphate synthase and NADPH regeneration. Engineering neryl pyrophosphate (NPP)‐supplied pathway resulted in a 4‐fold improvement of (R)‐(+)‐perillyl alcohol titer. Subsequently, combined engineering of p‐cymene monooxygenase (CymA) expression and module for NADPH regeneration exhibited a 15.4‐fold increase of titer over the initial strain S02. Finally, 453 mg/L (R)‐(+)‐perillyl alcohol was achieved in fed‐batch fermentation, which is the highest (R)‐(+)‐perillyl alcohol titer in E. coli.
Effective placement of self‐centering damage‐free connections for seismic‐resilient steel moment resisting frames
Authors: Pieroni Ludovica , Freddi Fabio , Latour Massimo
Published: February 2022

In recent years, significant advancements have been made in the definition of innovative “minimal‐damage structures,” chasing the need for more resilient societies against extreme seismic events. In this context, moment resisting frames (MRFs) equipped with self‐centering damage‐free (SCDF) devices in column bases and beam‐to‐column joints represent a viable solution to improve structural resilience and damage reduction. However, the extensive use of these devices significantly increases complexity and costs compared to conventional structures, thus limiting their practical application. To overcome this drawback, current research works are focusing on the definition of effective placement for SCDF devices, maximizing their beneficial effect on the seismic response and controlling their impact on the overall structural complexity. Within this context, the present study investigates the influence of the placement of SCDF devices in a steel MRF. An eight‐story MRF is designed, and 50 configurations with different locations of SCDF joints are considered. Numerical models are developed in OpenSees, and non‐linear static push–pull and incremental dynamic analyses (IDAs) are carried out. The influence of the placement of SCDF devices is assessed by considering residual and peak interstory drifts, residual top story drifts, peak story accelerations, and the total dissipated energy as performance parameters. The results of IDAs for a seismic intensity corresponding to the ultimate limit state (ULS) are analyzed and compared, and fragility curves are successively derived for some relevant configurations. The paper provides insights and observations to understand how including a different number of SCDF BCJs at different stories affects the seismic response.
The evolution of thermal performance in native and invasive populations ofMimulus guttatus
Authors: Querns Aleah , Wooliver Rachel , Vallejo-Marín Mario , Sheth Seema Nayan
Published: February 2022

The rise of globalization has spread organisms beyond their natural range, allowing further opportunity for species to adapt to novel environments and potentially become invaders. Yet, the role of thermal niche evolution in promoting the success of invasive species remains poorly understood. Here, we use thermal performance curves (TPCs) to test hypotheses about thermal adaptation during the invasion process. First, we tested the hypothesis that if species largely conserve their thermal niche in the introduced range, invasive populations may not evolve distinct TPCs relative to native populations, against the alternative hypothesis that thermal niche and therefore TPC evolution has occurred in the invasive range. Second, we tested the hypothesis that clines of TPC parameters are shallower or absent in the invasive range, against the alternative hypothesis that with sufficient time, standing genetic variation, and temperature-mediated selection, invasive populations would re-establish clines found in the native range in response to temperature gradients. To test these hypotheses, we built TPCs for 18 native (United States) and 13 invasive (United Kingdom) populations of the yellow monkeyflower, Mimulus guttatus. We grew clones of multiple genotypes per population at six temperature regimes in growth chambers. We found that invasive populations have not evolved different thermal optima or performance breadths, providing evidence for evolutionary stasis of thermal performance between the native and invasive ranges after over 200 years post introduction. Thermal optimum increased with mean annual temperature in the native range, indicating some adaptive differentiation among native populations that was absent in the invasive range. Further, native and invasive populations did not exhibit adaptive clines in thermal performance breadth with latitude or temperature seasonality. These findings suggest that TPCs remained unaltered post invasion, and that invasion may proceed via broad thermal tolerance and establishment in already climatically suitable areas rather than rapid evolution upon introduction.
An exploration of the impact of contextual information on the emotion recognition ability of autistic adults
Authors: Metcalfe Dale , McKenzie Karen , McCarty Kristofor , Pollet Thomas V. , Murray George
Published: February 2022

Studies of non‐autistic individuals and people with an intellectual disability show that contextual information impacts positively on emotion recognition ability, however, this area is not well researched with autistic adults. We investigated this using a static emotion recognition task. Participants completed an emotion recognition task in person or online. In total, 46 autistic participants and 379 non‐autistic participants completed the task. A linear mixed model showed that autistic adults had significantly lower accuracy when identifying emotions across all contexts, compared to control participants, even when contextual information was present. No significant effect of context was found in either group, nor was gender shown to be an influential variable. A supplementary analysis showed that higher scores on the Autism‐Spectrum Quotient led to lower scores on the emotion recognition task; no effect of context was found here either. This research adds to the limited work investigating the influence of contextual factors in emotion recognition in autistic adults. Overall, it shows that context may not aid emotion recognition in this group in the same way as it does for non‐autistic individuals.
The creeping bentgrass microbiome: Traditional culturing and sequencing results compared with metagenomic techniques
Authors: McNab Edward , Benedetto Daniel , Hsiang Tom
Published: February 2022

Recent metagenomic studies have probed the fungal microbiome of intensively managed turfgrasses to better understand the organisms present, which may be beneficial or harmful, but the taxonomic resolution is often limited to the family or genus level. This may relate to the common practice of targeting short ribosomal DNA sequences for estimating fungal abundance and phylogenetic relationships. We collected samples of intensively managed creeping bentgrass (Agrostis stolonifera L.) from Guelph, ON, across two growing seasons and obtained 2,204 foliar epiphytic fungal isolates. Sequencing the entire internal transcribed spacer (ITS) region of 251 representative isolates resolved these to 54 species in 31 genera. A comparison of the taxa identified here versus those reported in five metagenomic studies revealed similarities. However, of the 31 genera we identified by sequencing, 13 genera (42%) were not reported in the metagenomic studies related to intensively managed turfgrass systems. The five metagenomic studies identified an average of 44 genera, with 46% (ranging from 4 to 72%) on average being unique to each study. In addition to revealing genera that were not reported in other studies, full‐length ITS sequencing had the advantage of being able to resolve to the species level. We could resolve 248 of the sequenced isolates to species with an e‐value of 10−50, with three left at the genus level. Until sequencing technologies can yield full‐length ITS sequencing, laborious traditional culturing followed by sequencing of the entire ITS region can give insights into microbiomes not revealed by current metagenomic methods.
Tumours modulate the systemic vascular response to anti‐angiogenic therapy
Authors: Hargreaves Adam , Barry Simon T. , Bigley Alison , Kendrew Jane , Price Shirley
Published: February 2022

Toxicologic evaluation of new drug candidates routinely utilizes healthy animals. In oncology, there remains a limited understanding of the effects of novel test candidates in a diseased host. For vascular modulating agents (VMAs), an increased understanding of preclinical tumour–host interaction, and its potential to exacerbate or alleviate ‘off‐target’ effects of anti‐angiogenic administration, could aid in the prediction of adverse clinical outcomes in a defined cancer patient. We have previously reported that the implantation and growth of a range of human‐ and mouse‐derived tumours leads to structural vascular and, potentially, functional signalling changes within host mouse endocrine tissues, indicating possible roles for tumour‐ and host‐derived cytokines/growth factors and the liberation of myeloid‐derived suppressor cells in this phenomenon. Here, we further demonstrate that the growth of the Calu‐6 xenograft is associated with a resistance to VMA‐induced mouse peripheral endocrine vascular rarefaction (toxicity), with potential functional impact, notably with respect to mixed tyrosine kinase inhibition. The pathogenesis of these findings indicates a potential role for both tumour‐ and host‐derived basic fibroblast growth factor (bFGF), with associated upregulation in the intra‐tumoural autotaxin‐lysophosphatic acid signalling axis.
A comprehensive review of biological and materials properties of Tantalum and its alloys
Authors: Mani Gopinath , Porter Deanna , Grove Kent , Collins Shell , Ornberg Andreas , Shulfer Robert
Published: February 2022

Tantalum (Ta) and its alloys have been used for various cardiovascular, orthopedic, fracture fixation, dental, and spinal fusion implants. This review evaluates the biological and material properties of Ta and its alloys. Specifically, the biological properties including hemocompatibility and osseointegration, and material properties including radiopacity, MRI compatibility, corrosion resistance, surface characteristics, semiconductivity, and mechanical properties are covered. This review highlights how the material properties of Ta and its alloys contribute to its excellent biological properties for use in implants and medical devices.
Tannic acid as a chemosensor for colorimetric detection of Fe(II) and Au(III) ions in environmental water samples
Authors: Lin Yu‐Ren , Hsieh I‐Chin , Chang Wan‐Hsin , Wu Tsunghsueh , Sun Kun‐Yu , Lin Yang‐Wei
Published: February 2022

A simple and efficient method to detect and quantify Fe(II) and Au(III) cations in environmental water samples was developed. The detection principle is based on the 1:1 mol‐ratio complex formation between the probe molecule (tannic acid, TA) and Fe(II)/or Au(III), which yields visual color change and strong light absorbance at 518 nm and 534 nm, respectively. The association constant Ka for Fe(II) and Au(III) cations 4.01 × 104 and 4.13 × 104 M−1, respectively, was determined from Benesi–Hildebrand plot, indicating strong interactions between TA and target ions. This TA probe performed well in 50 mM phosphate buffer (PB, pH 9.0) solution and demonstrated an outstanding selectivity over 16 potential interfering metal ions and a good selectivity over Fe(III). The linear range in this study for Fe(II) and Au(III) cations was 0.25–100 μM and 1.0–100 μM, respectively. The detection limit of the TA probe for Fe(II) and Au(III) cations was found to be 0.080 and 0.50 μM, respectively. The spike recovery for both metal ions in three environmental aqueous samples (spring water and pond water) was ranged 90.2%–117.2%. This study demonstrated that the TA probe is a simple and convenient detection method for analyzing water samples obtained from fresh water sources.
Association between skeletal muscle mass and quality of life in adults with cancer: a systematic review and meta‐analysis
Authors: Hanna Lauren , Nguo Kay , Furness Kate , Porter Judi , Huggins Catherine E.
Published: February 2022

Low skeletal muscle mass is known to be associated with poor morbidity and mortality outcomes in cancer, but evidence of its impact on health‐related quality of life (HRQOL) is less established. This systematic review and meta‐analysis was performed to investigate the relationship between skeletal muscle mass and HRQOL in adults with cancer. Five databases (Ovid MEDLINE, Embase via Ovid, CINAHL plus, Scopus, and PsycInfo) were systematically searched from 1 January 2007 until 2 September 2020. Studies reporting on the association between measures of skeletal muscle (mass and/or radiodensity) derived from analysis of computed tomography imaging, and a validated measure of HRQOL in adults with cancer, were considered for inclusion. Studies classifying skeletal muscle mass as a categorical variable (low or normal) were combined in a meta‐analysis to investigate cross‐sectional association with HRQOL. Studies reporting skeletal muscle as a continuous variable were qualitatively synthesized. A total of 14 studies involving 2776 participants were eligible for inclusion. Skeletal muscle mass classified as low or normal was used to dichotomize participants in 10 studies (n = 1375). Five different cut points were used for classification across the 10 studies, with low muscle mass attributed to 58% of participants. Low muscle mass was associated with poorer global HRQOL scores [n = 985 from seven studies, standardized mean difference −0.27, 95% confidence interval (CI) −0.40 to −0.14,P < 0.0001], and poorer physical functioning domain HRQOL scores (n = 507 from five studies, standardized mean difference −0.40, 95% CI −0.74 to −0.05,P = 0.02), but not social, role, emotional, or cognitive functioning domain scores (allP > 0.05). Five studies examined the cross‐sectional relationship between HRQOL and skeletal muscle mass as a continuous variable and found little evidence of an association unless non‐linear analysis was used. Two studies investigated the relationship between longitudinal changes in both skeletal muscle and HRQOL, reporting that an association exists across several HRQOL domains. Low muscle mass may be associated with lower global and physical functioning HRQOL scores in adults with cancer. The interpretation of this relationship is limited by the varied classification of low muscle mass between studies. There is a need for prospective, longitudinal studies examining the interplay between skeletal muscle mass and HRQOL over time, and data should be made accessible to enable reanalysis according to different cut points. Further research is needed to elucidate the causal pathways between these outcomes.
Discontinuation of atorvastatin use in hospital is associated with increased risk of mortality in COVID‐19 patients
Authors: Andrews Laura , Goldin Laurel , Shen Yan , Korwek Kimberly , Kleja Kacie , Poland Russell E. , Guy Jeffrey , Sands Kenneth E. , Perlin Jonathan B.
Published: February 2022

Background

Statins are a commonly used class of drugs, and reports have suggested that their use may affect COVID‐19 disease severity and mortality risk.

Objective

The purpose of this analysis was to determine the effect of discontinuation of previous atorvastatin therapy in patients hospitalized for COVID‐19 on the risk of mortality and ventilation.

Methods

Data from 146,413 hospitalized COVID‐19 patients were classified according to statin therapy. Home + in hospital atorvastatin use (continuation of therapy); home + no in hospital atorvastatin use (discontinuation of therapy); no home + no in hospital atorvastatin use (no statins). Logistic regression was performed to assess the association between atorvastatin administration and either mortality or use of mechanical ventilation during the encounter.

Results

Continuous use of atorvastatin (home and in hospital) was associated with a 35% reduction in the odds of mortality compared to patients who received atorvastatin at home but not in hospital (odds ratio [OR]: 0.65, 95% confidence interval [CI]: 0.59–0.72, p < .001). Similarly, the odds of ventilation were lower with continuous atorvastatin therapy (OR: 0.70, 95% CI: 0.64–0.77, p < .001).

Conclusions

Discontinuation of previous atorvastatin therapy is associated with worse outcomes for COVID‐19 patients. Providers should consider maintaining existing statin therapy for patients with known or suspected previous use.