bluuebunny/crossref_metadata_2025_split huggingface dataset:
FT‐ICR‐MS‐based metabolomics: A deep dive into plant metabolism
Authors: Maia Marisa , Figueiredo Andreia , Cordeiro Carlos , Sousa Silva Marta 
Published: September 2021

AbstractMetabolomics involves the identification and quantification of metabolites to unravel the chemical footprints behind cellular regulatory processes and to decipher metabolic networks, opening new insights to understand the correlation between genes and metabolites. In plants, it is estimated the existence of hundreds of thousands of metabolites and the majority is still unknown. Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS) is a powerful analytical technique to tackle such challenges. The resolving power and sensitivity of this ultrahigh mass accuracy mass analyzer is such that a complex mixture, such as plant extracts, can be analyzed and thousands of metabolite signals can be detected simultaneously and distinguished based on the naturally abundant elemental isotopes. In this review, FT‐ICR‐MS‐based plant metabolomics studies are described, emphasizing FT‐ICR‐MS increasing applications in plant science through targeted and untargeted approaches, allowing for a better understanding of plant development, responses to biotic and abiotic stresses, and the discovery of new natural nutraceutical compounds. Improved metabolite extraction protocols compatible with FT‐ICR‐MS, metabolite analysis methods and metabolite identification platforms are also explored as well as new in silico approaches. Most recent advances in MS imaging are also discussed.
Subthalamic Nucleus Stimulation in Parkinson's Disease: 5‐Year Extension Study of a Randomized Trial
Authors: Bjerknes Silje , Toft Mathias , Brandt Reidun , Rygvold Trine Waage , Konglund Ane , Dietrichs Espen , Andersson Stein , Skogseid Inger Marie 
Published: September 2021

ABSTRACTBackgroundIn Parkinson's disease (PD) long‐term motor outcomes of subthalamic nucleus deep brain stimulation (STN‐DBS) are well documented, while comprehensive reports on non‐motor outcomes are fewer and less consistent.ObjectiveTo report motor and non‐motor symptoms after 5‐years of STN‐DBS.MethodsWe performed an open 5‐year extension study of a randomized trial that compared intraoperative verification versus mapping of STN using microelectrode recordings. Changes from preoperative to 5‐years of STN‐DBS were evaluated for motor and non‐motor symptoms (MDS‐UPDRS I‐IV), sleep disturbances (PDSS), autonomic symptoms (Scopa‐Aut), quality of life (PDQ‐39) and cognition through a neuropsychological test battery. We evaluated whether any differences between the two randomization groups were still present, and assessed preoperative predictors of physical dependence after 5 years of treatment using logistic regression.ResultsWe found lasting improvement of off‐medication motor symptoms (total MDS‐UPDRS III, bradykinetic‐rigid symptoms and tremor), on‐medication tremor, motor fluctuations, and sleep disturbances, but reduced performance across all cognitive domains, except verbal memory. Reduction of verbal fluency and executive function was most pronounced the first year and may thus be more directly related to the surgery than worsening in other domains. The group mapped with multiple microelectrode recordings had more improvement of bradykinetic‐rigid symptoms and of PDQ‐39 bodily discomfort sub‐score, but also more reduction in word fluency. Older age was the most important factor associated with physical dependence after 5 years.ConclusionSTN‐DBS offers good long‐term effects, including improved sleep, despite disease progression. STN‐DBS surgery may negatively impact verbal fluency and executive function.
Uncertainty in denoising of MRSI using low‐rank methods
Authors: Clarke William T. , Chiew Mark 
Published: September 2021

PurposeLow‐rank denoising of MRSI data results in an apparent increase in spectral SNR. However, it is not clear if this translates to a lower uncertainty in metabolite concentrations after spectroscopic fitting. Estimation of the true uncertainty after denoising is desirable for downstream analysis in spectroscopy. In this work, the uncertainty reduction from low‐rank denoising methods based on spatiotemporal separability and linear predictability in MRSI are assessed. A new method for estimating metabolite concentration uncertainty after denoising is proposed. Automatic rank threshold selection methods are also assessed in simulated low SNR regimes.MethodsAssessment of denoising methods is conducted using Monte Carlo simulation of proton MRSI data and by reproducibility of repeated in vivo acquisitions in 5 subjects.ResultsIn simulated and in vivo data, spatiotemporal based denoising is shown to reduce the concentration uncertainty, but linear prediction denoising increases uncertainty. Uncertainty estimates provided by fitting algorithms after denoising consistently underestimate actual metabolite uncertainty. However, the proposed uncertainty estimation, based on an analytical expression for entry‐wise variance after denoising, is more accurate. It is also shown automated rank threshold selection using Marchenko‐Pastur distribution can bias the data in low SNR conditions. An alternative soft‐thresholding function is proposed.ConclusionLow‐rank denoising methods based on spatiotemporal separability do reduce uncertainty in MRS(I) data. However, thorough assessment is needed as assessment by SNR measured from residual baseline noise is insufficient given the presence of non‐uniform variance. It is also important to select the right rank thresholding method in low SNR cases.
Academy of Nutrition and Dietetics and American Society for Parenteral and Enteral Nutrition: Revised 2021 standards of practice and standards of professional performance for registered dietitian nutritionists (competent, proficient, and expert) in nutrition support
Authors: Corrigan Mandy L. , Bobo Elizabeth , Rollins Christina , Mogensen Kris M. 
Published: September 2021

AbstractNutrition support is a therapy that crosses all ages, diseases, and conditions as health care practitioners strive to meet the nutrition requirements of individuals who are unable to meet nutrition and/or hydration needs with oral intake alone. Registered dietitian nutritionists (RDNs), as integral members of the nutrition support team provide needed information, such as identification of malnutrition risk, macro‐ and micronutrient requirements, and type of nutrition support therapy (eg, enteral or parenteral), including the route (eg, nasogastric vs nasojejunal or tunneled catheter vs port). The Dietitians in Nutrition Support Dietetic Practice Group, American Society for Parenteral and Enteral Nutrition, along with the Academy of Nutrition and Dietetics Quality Management Committee, have updated the Standards of Practice (SOP) and Standards of Professional Performance (SOPP) for RDNs working in nutrition support. The SOP and SOPP for RDNs in Nutrition Support provide indicators that describe the following 3 levels of practice: competent, proficient, and expert. The SOP uses the Nutrition Care Process and clinical workflow elements for delivering patient/client care. The SOPP describes the 6 domains that focus on professional performance. Specific indicators outlined in the SOP and SOPP depict how these standards apply to practice. The SOP and SOPP are complementary resources for RDNs and are intended to be used as a self‐evaluation tool for assuring competent practice in nutrition support and for determining potential education and training needs for advancement to a higher practice level in a variety of settings.
Ethanol‐induced formation of colorectal tumours and precursors in a mouse model of Lynch syndrome
Authors: Cerretelli Guia , Zhou Ying , Müller Mike F , Adams David J , Arends Mark J 
Published: September 2021

AbstractLynch syndrome (LS) confers inherited cancer predisposition due to germline mutations in a DNA mismatch repair (MMR) gene, e.g. MSH2. MMR is a repair pathway for removal of base mismatches and insertion/deletion loops caused by endogenous and exogenous factors. Loss of MMR through somatic alteration of the wild‐type allele in LS results in defective MMR (dMMR). Lifestyle/environmental factors can modify colorectal cancer risk in sporadic and LS patients. Ethanol and its metabolite acetaldehyde are classified as group one carcinogens, and acetaldehyde causes a range of DNA lesions. However, DNA repair pathways responsible for correcting most of such DNA lesions remain uncharacterised. We hypothesised that MMR plays a role in protecting colorectal epithelium from ethanol/acetaldehyde‐induced DNA damage. Here, an LS mouse model (intestinal epithelial conditional‐knockout for Msh2) was used to determine if there is a gene–environment interaction between dMMR and ethanol/acetaldehyde that accelerates colorectal tumourigenesis in LS. Mice underwent either long‐term ethanol treatment or water treatment. Most ethanol‐treated mice demonstrated colonic hyperproliferation and adenoma formation (with some invasive adenocarcinomas) within 6 months (15/23, 65%), compared with one colonic tumour after 15 months in water‐treated mice (1/23, 4%) (p < 0.0001, Fisher's exact test). A significantly greater number of dMMR colonic crypt foci precursors were observed in ethanol‐treated compared with water‐treated mice (p = 0.0029, Student's t‐test). Moreover, increased plasma acetaldehyde levels were detected in ethanol‐treated compared with water‐treated mice (p = 0.0019, Mann–Whitney U‐test), along with significantly increased DNA damage response in the colonic epithelium. Long‐term ethanol treatment was associated with significantly increased colonic epithelial proliferation and markedly reduced apoptosis in dMMR adenomas, consistent with enhanced survival of aberrant dMMR relative to MMR‐proficient colonic epithelium. In conclusion, there is strong evidence for a gene–environment interaction between dMMR and acetaldehyde, causing acceleration of dMMR‐driven colonic tumour formation in this LS model, indicating that advice to limit alcohol consumption should be considered for LS patients. © 2021 The Authors. The Journal of Pathology published by John Wiley & Sons, Ltd. on behalf of The Pathological Society of Great Britain and Ireland.
The utility of color normalization for AI‐based diagnosis of hematoxylin and eosin‐stained pathology images
Authors: Boschman Jeffrey , Farahani Hossein , Darbandsari Amirali , Ahmadvand Pouya , Van Spankeren Ashley , Farnell David , Levine Adrian B , Naso Julia R , Churg Andrew , Jones Steven JM , Yip Stephen , Köbel Martin , Huntsman David G , Gilks C Blake , Bashashati Ali 
Published: September 2021

AbstractThe color variation of hematoxylin and eosin (H&E)‐stained tissues has presented a challenge for applications of artificial intelligence (AI) in digital pathology. Many color normalization algorithms have been developed in recent years in order to reduce the color variation between H&E images. However, previous efforts in benchmarking these algorithms have produced conflicting results and none have sufficiently assessed the efficacy of the various color normalization methods for improving diagnostic performance of AI systems. In this study, we systematically investigated eight color normalization algorithms for AI‐based classification of H&E‐stained histopathology slides, in the context of using images both from one center and from multiple centers. Our results show that color normalization does not consistently improve classification performance when both training and testing data are from a single center. However, using four multi‐center datasets of two cancer types (ovarian and pleural) and objective functions, we show that color normalization can significantly improve the classification accuracy of images from external datasets (ovarian cancer: 0.25 AUC increase, p = 1.6 e‐05; pleural cancer: 0.21 AUC increase, p = 1.4 e‐10). Furthermore, we introduce a novel augmentation strategy by mixing color‐normalized images using three easily accessible algorithms that consistently improves the diagnosis of test images from external centers, even when the individual normalization methods had varied results. We anticipate our study to be a starting point for reliable use of color normalization to improve AI‐based, digital pathology‐empowered diagnosis of cancers sourced from multiple centers. © 2021 The Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Tensile strength of carbon‐nanotube‐based nanocomposites by the effective characteristics of interphase area nearby the filler network
Authors: Zare Yasser , Rhee Kyong Yop , Park Soo‐Jin 
Published: September 2021

AbstractThe operative interphase properties surrounding carbon nanotubes (CNTs) networks are applied to progress a simple and applicable simulation for the strength of nanocomposites. Both critical interfacial shear strength (τc) and interfacial shear strength (τ) define the operative depth and power of interphase area. The experimental results of selected examples and the parametric analyses are employed to accept the established model. The experimental data properly fit to the model's forecasts and all parameters reasonably affect the nanocomposite's strength. Very low τc (10 MPa) and extremely high τ (400 MPa) significantly improve the strength of nanocomposites by 700%, while τc > 43 MPa slightly increase the nanocomposite's strength. The strongest and the densest interphase around CNT nets can raise the strength of nanocomposites by 450%, but very poor or thin interphase only changes the nanocomposite's strength by 10%. Additionally, the narrowest and the biggest CNT produce the sturdiest samples, while thick CNT (CNT radius > 11 nm) cannot strengthen the polymer media.
Social cognitive variables and physical activity during chemotherapy for breast cancer: An intensive longitudinal examination
Authors: Auster‐Gussman Lisa A. , Gavin Kara L. , Siddique Juned , Welch Whitney A. , Solk Payton , Whitaker Madelyn , Cullather Erin , Fanning Jason , Maria Cesar Santa , Gradishar William , Khan Seema , Kulkarni Swati , Phillips Siobhan M. 
Published: September 2021

AbstractObjectiveAlthough physical activity is associated with better health outcomes in breast cancer survivors (BCS), activity often declines during cancer treatment. Social cognitive theory (SCT) constructs have been associated with physical activity in post‐treatment BCS, but little is known about the relation between these constructs and physical activity during chemotherapy.MethodsBCS (n = 67; Mage = 48.6 [SD = 10.3]) undergoing chemotherapy wore accelerometers and completed prompts in the morning and at night assessing same‐day and next‐day exercise self‐efficacy, physical and psychological outcome expectations, and goal‐setting for 10 consecutive days (3 days pre‐, day of, and 6 days post‐chemotherapy dose) at three time points (beginning, middle, and end of chemotherapy). Separate mixed models assessed between‐ and within‐person associations of each of the SCT constructs associations with same‐ and next‐day moderate to vigorous physical activity (MVPA) and light physical activity (LPA), independently.ResultsWithin‐person differences in all SCT variables were statistically significantly related to same‐day MVPA (p's < 0.001) and LPA (p's < 0.001). Every one‐point increase in SCT construct related to an increase in MVPA ranging from (a) 3.70 (self‐efficacy) to 8.02 (physical outcome expectations) minute increase in MVPA and (b) 12.72 (self‐efficacy) to 20.38 (physical outcome expectations) increase in LPA that day. No same‐day between‐person effects nor any next‐day effects were significant.ConclusionMVPA and LPA were related to same‐day within‐person differences in SCT variables. Interventions targeted at increasing or mitigating chemotherapy‐related declines in daily within‐person changes in SCT constructs could help to increase physical activity among BCS during chemotherapy.
Styrene‐Ethylene/Butylene‐Styrene (SEBS) Block Copolymer Binder for Solid Propellants
Authors: Wilkinson Peter J. , Weaver Matthew C. , Kister Guillaume , Gill Philip P. 
Published: September 2021

AbstractCurrently solid composite propellants are manufactured using bespoke, specially manufactured binders. This adds significant cost and obsolescence risks to their development and manufacture. This paper reports on the production of two composite propellants made from a commercially‐available‐off‐the‐self polymer as binder by means of a resonant acoustic mixer (RAM) slurry process. The binder consisted of thermoplastic elastomer styrene‐ethylene/butylene‐styrene (SEBS) block copolymer and the solid filler, either ammonium perchlorate (AP) or 1,3,5‐Trinitro‐1,3,5‐triazinane (RDX). Thermodynamic code demonstrated that SEBS‐based propellants exhibited similar theoretical ballistic performance to conventional HTPB‐based propellants. Chemical compatibility between SEBS and the solid fillers was shown by the differential scanning calorimetry (DSC) and vacuum stability methods. The novel combination of RAM and slurry coating process produced a propellant moulding powder that was then consolidated by remote hot pressing to simulate an industrial extrusion or rolling process. The propellants exhibited as expected explosive hazard properties and their thermal analysis by DSC‐TGA showed typical oxidizer behaviour between AP and SEBS, characterised by two decomposition exotherms (also reported in AP/HTPB compositions), and little or no interaction between RDX and SEBS. The apparent activation energy for decomposition for AP/SEBS (84/16 % w/w) propellant was similar to that for AP/HTPB propellants. This work demonstrates the viability of using SEBS polymer as a binder for solid propellants. The development of propellants using commercially off the shelf, thermoplastic elastomeric binders could add significant benefits in waste reduction through recycling, security of supply, and manufacturing costs.
The protonation state of Glu202 in acetylcholinesterase
Authors: Wang Jiye , Lai Suitian , Kong Yichao , Yao Weixuan , Chen Xiabin , Liu Junjun 
Published: September 2021

AbstractAcetylcholinesterase (AChE) is the crucial enzyme in the central nervous system. It is the target of various organophosphorus nerve agents and pesticides, and the inhibition of AChE is a therapeutic strategy for the treatment of various neurological‐related diseases. The Glu202 is a key residue adjacent to the catalytic His447 and plays important role in catalysis. Although the Glu202 has long been considered as negatively charged in many studies, more and more evidences support a protonated Glu202. However, Glu202 is freely accessible by solvent, and thus it seems more reasonable for Glu202 to majorly take the deprotonated state. In the present work, we carried out a series of molecular dynamics simulations with the Glu202 adopting different protonation states. Our results show that the protonated Glu202 is important in maintaining the key hydrogen bond network that supports the catalytic triad, whereas the deprotonated Glu202 results in the collapse of the key hydrogen bond network which consequently destabilizes the catalytic His447. We also notice that different protonation states of Glu202 merely alters the binding mode of ACh. However, since the catalytic His447 is disrupted if Glu202 is deprotonated, His447 cannot facilitate the nucleophilic attack performed by Ser203. Therefore, the catalytic efficiency of ACh hydrolysis should be remarkably decreased if Glu202 is deprotonated. Our findings suggest that, when designing and developing highly active AChE inhibitors or proposing mechanistic hypotheses for AChE‐catalyzed reactions, the protonated state of Glu202 should be considered.
Synoptic‐scale and mesoscale controls for tornadogenesis on cold fronts: Shear‐zone vortex‐genesis in a developing frontal wave
Authors: Clark M. R. , Parker D. J. , Hanley K. E. 
Published: September 2021

AbstractHigh‐resolution model simulations and radar observations are used to investigate the onset of vortex‐genesis in a tornadic narrow cold‐frontal rain band (NCFR). The timing and location of vortex‐genesis was strongly constrained by a developing frontal wave, which tracked northeast across the United Kingdom and Ireland on 17 October 2011. In the simulations, vortices occurred preferentially during the early stages of wave development and just down‐front of the wave centre, where large increases in vertical vorticity occurred in concert with decreases in the cross‐frontal confluence. Vortex‐genesis ceased as the frontal wave matured, due to the onset of frontal fracture. Two distinct scales of vortex‐genesis are documented: primary vortex‐genesis on the meso‐γ‐scale, and secondary vortex‐genesis on the miso‐scale. We show that horizontal shearing instability is the most likely vortex‐genesis mechanism, consistent with previous theoretical work on the stability of vertical vortex strips in the presence of horizontal stretching deformation. Secondary vortices occurred along the braid regions between primary vortices where the shear zone became particularly narrow and intense. In the model, these vortices developed extremely rapidly (from small perturbations to maximum vertical vorticity in 5–15 min) and the strongest exhibited near‐surface vertical vorticity maxima approaching 10−1 s−1. Vortices of both scales were associated with characteristic local perturbations in the NCFR and we show, by comparison with radar reflectivity data, that primary and secondary vortices were likely present in the real NCFR. Tornado reports were associated with small NCFR perturbations like those associated with the secondary vortices in the model simulations. Analysis of the sub‐structure of individual simulated vortices suggests that tornado‐genesis is most likely within a region of intense near‐surface vertical vorticity stretching at the north or northwest flank of the secondary vortices.
The drivers of the integration of the sustainable development goals into the non‐financial information system: Individual and joint analysis of their influence
Authors: García‐Sánchez Isabel‐María , Aibar‐Guzmán Beatriz , Aibar‐Guzmán Cristina , Somohano‐Rodríguez Francisco‐Manuel 
Published: September 2021

AbstractIn response to recent calls about the need to improve the current understanding of what drives SDG reporting, this paper analyzes the individual and joint effect of a broad array of factors on the integration of the sustainable development goals (SDGs) into the non‐financial information system. Using a sample made up of 1535 international companies for the period 2015–2017, we examine the extent to which both external and internal factors affect SDG reporting as well as the role played by two influential actors in corporate decision‐making (i.e., the CEO and the board of directors) in promoting this disclosure strategy. The results indicate that institutional pressures at the country level, firm size and incentives associated with the monitoring of financial analysts and the demands of investors, together with the specialisation and size of the board of directors are, in this order, drive the level of integration of the SDGs into the non‐financial information system. In the absence of these factors, the training of the CEO in sustainability issues is the main determinant of SDG reporting.