bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solvent Responsive Shape Memory Polymers‐ Evolution, Current Status, and Future Outlook
Authors: Basak Sayan , Bandyopadhyay Abhijit 
Published: August 2021

AbstractSolvent responsive shape memory polymers are smart shape morphing materials that can recover from a fixed shape when stimulated with solvents. Unlike thermally responsive shape memory polymers, these materials have numerous unique advantages that enabled them to grab the attention of the scientific community. Since early 2005, with the inception of the solvent‐induced recovery process, the shape memory polymer realm continued to evolve to circumscribe this novel stimulus. With this backdrop, this review attempts to highlight the development and the growth of solvent responsive shape memory polymers along with its recent trends. After introducing the concept of shape memory polymers, the review introduces how the idea of solvent‐induced shape memory polymer stemmed along with describing how the response behavior works. A variety of polymer systems are introduced that respond to water and various solvents together with their emerging application in biomedicine and typical sensing operations. Finally, the potentials and the future outlook for improvement are reviewed.
Systematic Assessment of 10 Biomarker Candidates Focusing on α‐Synuclein‐Related Disorders
Authors: Schulz Isabel , Kruse Niels , Gera Roland G. , Kremer Thomas , Cedarbaum Jesse , Barbour Robin , Zago Wagner , Schade Sebastian , Otte Birgit , Bartl Michael , Hutten Samantha J. , Trenkwalder Claudia , Mollenhauer Brit 
Published: August 2021

ABSTRACTBackgroundObjective diagnostic biomarkers are needed to support a clinical diagnosis.ObjectivesTo analyze markers in various neurodegenerative disorders to identify diagnostic biomarker candidates for mainly α‐synuclein (aSyn)‐related disorders (ASRD) in serum and/or cerebrospinal fluid (CSF).MethodsUpon initial testing of commercially available kits or published protocols for the quantification of the candidate markers, assays for the following were selected: total and phosphorylated aSyn (pS129aSyn), neurofilament light chain (NfL), phosphorylated neurofilament heavy chain (pNfH), tau protein (tau), ubiquitin C‐terminal hydrolase L1 (UCHL‐1), glial fibrillary acidic protein (GFAP), calcium‐binding protein B (S100B), soluble triggering receptor expressed on myeloid cells 2 (sTREM‐2), and chitinase‐3‐like protein 1 (YKL‐40). The cohort comprised participants with Parkinson's disease (PD, n = 151), multiple system atrophy (MSA, n = 17), dementia with Lewy bodies (DLB, n = 45), tau protein‐related neurodegenerative disorders (n = 80, comprising patients with progressive supranuclear palsy (PSP, n = 38), corticobasal syndrome (CBS, n = 16), Alzheimer's disease (AD, n = 11), and frontotemporal degeneration/amyotrophic lateral sclerosis (FTD/ALS, n = 15), as well as healthy controls (HC, n = 20). Receiver operating curves (ROC) with area under the curves (AUC) are given for each marker.ResultsCSF total aSyn was decreased. NfL, pNfH, UCHL‐1, GFAP, S100B, and sTREM‐2 were increased in patients with neurodegenerative disease versus HC (P < 0.05). As expected, some of the markers were highest in AD (i.e., UCHL‐1, GFAP, S100B, sTREM‐2, YKL‐40). Within ASRD, CSF NfL levels were higher in MSA than PD and DLB (P < 0.05). Comparing PD to HC, interesting serum markers were S100B (AUC: 0.86), sTREM2 (AUC: 0.87), and NfL (AUC: 0.78). CSF S100B and serum GFAP were highest in DLB.ConclusionsLevels of most marker candidates tested in serum and CSF significantly differed between disease groups and HC. In the stratification of PD versus other tau‐ or aSyn‐related conditions, CSF NfL levels best discriminated PD and MSA. CSF S100B and serum GFAP best discriminated PD and DLB. © 2021 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson Movement Disorder Society.
Genetic and functional analyses detect one pathological NFATC1 mutation in a Chinese tricuspid atresia family.
Authors: Li Bojian , Li Tingting , Pu Tian , Liu Chunjie , Chen Sun , Sun Kun , Xu Rang 
Published: August 2021

AbstractBackgroundCardiac valvulogenesis is a highly conserved process among vertebrates and cause unidirectional flow of blood in the heart. It was precisely regulated by signal pathways such as VEGF, NOTCH, and WNT and transcriptional factors such as TWIST1, TBX20, NFATC1, and SOX9. Tricuspid atresia refers to morphological deficiency of the valve and confined right atrioventricular traffic due to tricuspid maldevelopment, and is one of the most common types of congenital valve defects.MethodsWe recruited a healthy couple with two fetuses aborted due to tricuspid atresia and identified related gene mutations using whole‐exome sequencing. We then discussed the pathogenic significance of this mutation by bioinformatic and functional analyses.ResultsPROVEAN, PolyPhen, MutationTaster, and HOPE indicated the mutation could change the protein function and cause disease; Western blotting showed the expression of NFATC1 c.964G>A mutation was lower than the wild type. What's more, dual‐luciferase reporter assay showed the transcriptional activity of NFATC1 was impact by mutation and the expression of downstream DEGS1 was influenced.ConclusionTaken together, the c.964G>A mutation might be pathological and related to the occurrence of disease. Our research tended to deepen the understanding of etiology of tricuspid atresia and gene function of NFATC1, and provide some references or suggestions for genetic diagnosis of tricuspid atresia.
Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and Medicine
Authors: Guerrero‐Alonso Araceli , Antunez‐Mojica Mayra , Medina‐Franco José L. 
Published: August 2021

AbstractIsothiocyanates (ITCs) have a significant impact on food and natural product chemistry. Several dietary components and food chemicals contain the isothiocyanate moiety. In addition, many ITCs interact with macromolecules of biological relevance, making these compounds relevant for potential therapeutic applications and disease prevention. However, there is a lack of systematic analysis of ITCs in chemical and biological databases. Herein, we conducted a comprehensive analysis of ITCs present in public domain databases, including natural products, food chemicals, macromolecular targets of drugs, and the Protein Data Bank. A total of 154 ITCs were found, which can be classified into seven categories: acyclic, cyclic, polycyclic, aromatic, polyaromatic, indolic, and glycosylated. 24 ITCs were reported in 18 vegetable sources, mainly in cruciferous vegetables (Brassica oleracea L.). Calculated properties of pharmaceutical relevance indicated that 11 % of the 154 ITCs would be suitable to be orally absorbed and 48 % permeate the blood‐brain‐barrier. It was also found that seven molecular targets have been co‐crystallized with ITCs and the most frequent is the macrophage migration inhibitory factor. It is expected that this work will contribute to the sub‐disciplines of natural products and food informatics.
Oral Spermidine Targets Brown Fat and Skeletal Muscle to Mitigate Diet‐Induced Obesity and Metabolic Disorders
Authors: Wang Di , Yin Jilong , Zhou Zixin , Tao Yan , Jia Yufeng , Jie Haipeng , zhao Jingyuan , Li Ruiyu , Li Yuan , Guo Chun , Zhu Faliang , Mao Haiting , Zhang Lining , Wang Qun 
Published: August 2021

IntroductionObesity causes many life‐threatening diseases. It is important to develop effective approaches for obesity treatment. Oral supplementation with spermidine retards age‐related processes, but its influences on obesity and various metabolic tissues remain largely unknow. This study aims to investigate the effects of oral spermidine on brown adipose tissue (BAT) and skeletal muscle as well as its roles in counteracting obesity and metabolic disorders.Methods and ResultsSpermidine is orally administrated into high‐fat diet (HFD)‐fed mice. The weight gain, insulin resistance, and hepatic steatosis are attenuated by oral spermidine in HFD‐fed mice, accompanied by an alleviation of white adipose tissue inflammation. Oral spermidine promotes BAT activation and metabolic adaptation of skeletal muscle in HFD‐fed mice, evidenced by UCP‐1 induction and CREB activation in both tissues. Notably, oral spermidine upregulates tyrosine hydroxylase in hypothalamus of HFD‐fed mice; spermidine treatment increases tyrosine hydroxylase expression and norepinephrine production in neurocytes, which leads to CREB activation and UCP‐1 induction in brown adipocytes and myotubes. Spermidine also directly promotes UCP‐1 and PGC‐1α expression in brown adipocytes and myotubes.ConclusionSpermidine serves as an oral supplement to attenuate obesity and metabolic disorders through hypothalamus‐dependent or ‐independent BAT activation and skeletal muscle adaptation.
Head‐to‐head comparison of pressures during full cystometry, with clinical as well as in‐depth signal‐analysis, of air‐filled catheters versus the ICS‐standard water‐filled catheters
Authors: Rosier Peter F. W. M. 
Published: August 2021

AbstractAimsTo compare in vivo differences of two catheter systems for urodynamics to further discover their measurement properties.MethodsSide‐by‐side catheterization with two catheters for intravesical and abdominal pressure during full cystometry in 36 prospectively recruited patients with analysis of mean and absolute differences at urodynamic events and post hoc in‐depth signal analysis comparing the full pressure traces of both systems.ResultsThe mean pressure differences at urodynamic events between air‐filled and water‐filled systems are small, however, with a large variation, without a systematic difference. The majority of the intersystem differences are significantly larger than 5 cmH2O. Further analysis showed that urodynamic event pressure differences of both systems at the start of the test were carried forward throughout the remainder of the test without subsequent or additional tendency to differ. Post hoc whole test signal analysis with pressures equalized from the first sample shows high cross‐correlation (>0.981) between the pressure signals per location (rectum and bladder) per test and almost zero‐time shift (<0.05 s) of all cystometry pressure samples.ConclusionsWe confirm earlier studies that showed random differences at events between air‐filled and water‐filled pressures during clinical urodynamic testing and confirm that these are intrinsic but not systematic—and still incompletely explained—offset‐baseline differences. We determined on closer full measurement analysis after equalizing, that both systems are similar in displaying urodynamic pressure variations and amplitudes. We also confirm that both systems require awareness of intrinsic measurement properties during urodynamic testing and especially may necessitate adjustment of pressure offsets into a quantitative diagnosis of a urodynamic test.
New bounds on the condition number of the Hessian of the preconditioned variational data assimilation problem
Authors: Tabeart Jemima M. , Dance Sarah L. , Lawless Amos S. , Nichols Nancy K. , Waller Joanne A. 
Published: August 2021

AbstractData assimilation algorithms combine prior and observational information, weighted by their respective uncertainties, to obtain the most likely posterior of a dynamical system. In variational data assimilation the posterior is computed by solving a nonlinear least squares problem. Many numerical weather prediction (NWP) centers use full observation error covariance (OEC) weighting matrices, which can slow convergence of the data assimilation procedure. Previous work revealed the importance of the minimum eigenvalue of the OEC matrix for conditioning and convergence of the unpreconditioned data assimilation problem. In this article we examine the use of correlated OEC matrices in the preconditioned data assimilation problem for the first time. We consider the case where there are more state variables than observations, which is typical for applications with sparse measurements, for example, NWP and remote sensing. We find that similarly to the unpreconditioned problem, the minimum eigenvalue of the OEC matrix appears in new bounds on the condition number of the Hessian of the preconditioned objective function. Numerical experiments reveal that the condition number of the Hessian is minimized when the background and observation lengthscales are equal. This contrasts with the unpreconditioned case, where decreasing the observation error lengthscale always improves conditioning. Conjugate gradient experiments show that in this framework the condition number of the Hessian is a good proxy for convergence. Eigenvalue clustering explains cases where convergence is faster than expected.
Nursing students' perception of medical errors: A cross‐sectional study in a university
Authors: Bam Victoria , Safowaa Adwoa , Lomotey Alberta Yemotsoo , Nkansah Abena Safoa 
Published: August 2021

AbstractAimTo assess the perception of nursing students on medical errors.DesignA descriptive cross‐sectional survey.MethodData were collected from March–April 2019 in a university in Ghana from two hundred (200) students using simple random sampling and analysed with SPSS version 21.ResultsMean age of respondents was 22.64 years. Medication error was perceived as the most common medical errors (MEs; 76%). Negligence was perceived as the most common cause of MEs (80.5%); nurses and doctors (84.5%–89.5%) were considered as staff who make most MEs. Respondents perceived that students commit MEs due to less knowledge about procedures (79%) and inadequate supervision (77%) in the clinical setting.ConclusionMedication errors were observed as the most common of MEs that can affect patients' safety. Taking prudent measures in addressing this can reduce MEs in health facilities. Enhanced supervision and effective ways of teaching drug administration are recommended.
Efficient unconditionally stable numerical schemes for a modified phase field crystal model with a strong nonlinear vacancy potential
Authors: Pei Shuaichao , Hou Yanren , Yan Wenjing 
Published: August 2021

AbstractWe consider numerical approximations for a modified phase field crystal model with a strong nonlinear vacancy potential. Based on the invariant energy quadratization approach and stabilized strategies, we develop linear, unconditionally energy stable numerical schemes using the first‐order Euler method, the second‐order backward differentiation formulas and the second‐order Crank–Nicolson method, respectively. We rigorously prove the unconditional energy stability, the mass conservation of these three numerical schemes and carry out error estimates in time for the first‐order numerical scheme. Various numerical experiments in 2D and 3D are carried out to validate the accuracy, energy stability, mass conservation, and efficiency of the proposed schemes.
Potential Energy Surfaces of Vinylogous Wolff Rearrangement: NBO Analysis and Molecular Dynamic Simulation
Authors: Nahzomi Hossein Taherpour , Divsar Faten 
Published: August 2021

AbstractThe potential energy surfaces of the Vinylogous Wolff Rearrangement, an alternative process for the Wolff Rearrangement that takes place β,γ‐unsaturated diazoketones have been fully explored employing M062X model chemistry and in a complementary task by means of the CASSCF method. The NBO analysis has been invoked to reveal the alternations of orbital occupancies and their stabilization energies through some of the critical structures located on the pathways. The calculations establish a two steps process for each pathway involving a second higher energy transition state that seems likely to be the rate determining step in agreement with experimental results. Energy analysis indicates more feasibility of the pathway including diradical intermediate. The most striking feature of the study concerns the finding out a transition state providing a channel in between two pathways through interconversion of the two keys bicyclo[2.1.0]pentanone and diradical intermediates.
Ballistic impact performance of composite laminates based on high‐density polyethylene/montmorillonite nanocomposite and Aramide fiber
Authors: Dias Rafael R. , Zattera Ademir J. , Pereira Iaci M. , Soares Bluma G. 
Published: August 2021

AbstractNanostructured thermoplastic consisting of high‐density polyethylene (HDPE) modified with exfoliated montmorillonite (MMT) was successfully used as the matrix for the development of composite for ballistic applications. The effect of HDPE and HDPE/MMT as the matrix on the mechanical and ballistic properties of para‐aramid plain‐woven fabric‐based composites was compared with the commercial composite constituted by polyvinyl‐butyral–phenolic resin as the matrix. The dynamic compressive tests using split Hopkinson pressure bar equipment revealed a remarkable increase of maximum compression strength, outstanding dynamic compressive response, and superior tenacity for the composite containing HDPE/MMT as the matrix. Moreover, the ballistic limit of the HDPE/MMT‐based composite was the highest one. Mechanical failures indicated that this matrix was able to interact with a greater fiber volume and was responsible for improving the ballistic impact energy absorption. Thus, the use of MMT in thermoplastic matrix may be considered a promising ballistic solution due to the possibility of combining lightweight and ballistic resistance.
Synthesis and Properties of Glycidyl Polymers Bearing 1,2,4‐Triazol‐5‐One, 3‐Nitro‐1,2,4‐Triazol‐5‐One and Glycidyl Azide Units
Authors: Sukhanov Gennady T. , Bosov Konstantin K. , Sukhanova Anna G. , Filippova Yulia V. , Krupnova Irina A. , Pivovarova Ekaterina V. 
Published: August 2021

AbstractGlycidyl triazolone and glycidyl nitrotriazolone polymers and glycidyl triazolone/glycidyl azide copolymers were synthesized by nucleophilic substitution of 1,2,4‐triazol‐5‐one and 3‐nitro‐1,2,4‐triazol‐5‐one heterocycles and azide ion for chlorine atoms in poly(epichlorohydrin), respectively. The structure of the resultant energetic polymers was characterized by 1H,13C NMR, infrared spectroscopy, and elemental analysis (Cl). The density of the obtained polymers was experimentally measured, and data on phase transitions and thermal decomposition were acquired by differential scanning calorimetry (DSC). The triazolone heterocycles inserted into the polymeric chain provided high thermal stability and a much higher density compared to the azide homopolymer GAP. The 1,3‐dipolar cycloaddition demonstrated that spatially branched energy‐rich polymeric binders bearing 1,2,4‐triazol‐5‐one and 1,2,3‐triazole heterocycles could conceptually be synthesized starting from p‐(GTO‐co‐GA) azide copolymers. The aforesaid merits make the reported polymers attractive candidates as the matrix of energetic binders.
Prediction on the high‐energy density covalent organic frameworks with diamond network
Authors: Hou Hua , Wang Baoshan 
Published: August 2021

AbstractA new class of high‐energy density covalent organic framework has been predicted on the basis of the extensive quantum chemistry computational studies. Two state‐of‐the‐art energetic materials with the chemical formula C10H8N8 are generated by the inter‐tiling condensation starting from the divergent tertra‐substituted methane and the ditopic glyoxal or hydrazine. Both energetic covalent organic frameworks (eCOFs) involve the 3D interpenetrated diamond nets with the cage vertices connected by either CC or NN bonds. The densities of eCOFs increase to 2.6 g/cm3. Ab initio molecular dynamics simulations prove that eCOF‐300a and eCOF‐300b are thermally stable up to 1200 and 800 K, respectively. The enthalpy of formation was predicted to be 241.8 and 315.0 kcal/mol for eCOF‐300a and eCOF‐300b, respectively. This work provides a great opportunity to extend the applications of COFs to develop new energetic materials with predictable properties and energetic performance superior to CL‐20.
Identification of the metabolites of rhapontigenin in rat and human by ultra‐high‐performance liquid chromatography—high‐resolution mass spectrometry
Authors: An Jingzhi , Yang Jie , Wei Yuan , Liu Yunsi , Song Yan , Zhang Zuzhuo , Pan Ying 
Published: August 2021

RationaleRhapontigenin, a stilbene compound isolated from the medicinal plant of rhubarb rhizomes, has shown a variety of biological activities. The purpose of this study was to identify and characterize the metabolites of rhapontigenin in rat liver microsomes, hepatocytes, urine, and human liver microsomes and hepatocytes.MethodsThe samples were analyzed by ultra‐high‐performance liquid chromatography combined with electrospray ionization quadrupole/orbitrap high‐resolution mass spectrometry (UPLC‐Q/Orbitrap‐HRMS). The structures of the metabolites were interpreted by MS, MS/MS data, and elemental compositions.ResultsA total of 11 metabolites were detected and tentatively identified. M1, identified as piceatannol, was unambiguously identified using reference standard. Our results suggested that rhapontigenin was metabolized through the following pathways: (a) demethylation to produce piceatannol (M1), which further underwent oxidation to form ortho‐quinone intermediate. This intermediate was reactive and conjugated with GSH (M10 and M11), which were further converted into N‐acetyl‐cysteine and excreted in urine. M1 also underwent sulfation (M8) and glucuronidation (M5); (b) direct sulfation, forming M6 and M7; and (c) direct glucuronidation to form M2, M3, and M4. Glucuronidation was a major metabolic pathway in hepatocytes and urine.ConclusionsThe current study provides an overview of the metabolism of rhapontigenin, which is of great importance for us to understand the disposition of this compound.
Mesenchymal stem cells and their derived exosomes to combat Covid–19
Authors: Yousefi Dehbidi Maryam , Goodarzi Nima , Azhdari Mohammad H. , Doroudian Mohammad 
Published: August 2021

SummarySevere acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is causing an ongoing pandemic of coronavirus disease 2019 (Covid‐19). Effective therapies are required for the treatment of patients with severe stages of the disease. Mesenchymal stem cells (MSCs) have been evaluated in numerous clinical trials, but present challenges, such as carcinogenic risk and special storage conditions, coupled with insufficient data about their mechanism of action. The majority of unique properties of MSCs are related to their paracrine activity and especially to their exosomes. The impact of MSCs‐derived exosomes (MSC‐Es) on complications of Covid‐19 has been investigated in several studies. MSC‐Es may improve some complications of Covid‐19 such as cytokine storm, acute respiratory distress syndrome (ARDS) and acute lung injury (ALI). Additionally, these exosomes can be evaluated as an applicable nano‐size carrier for antiviral therapeutic agents. Herein, we consider several potential applications of MSCs and their derived exosomes in the treatment of Covid‐19.