bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identifying Protective Drugs for Parkinson's Disease in Health‐Care Databases Using Machine Learning
Authors: Courtois Émeline , Nguyen Thi Thu Ha , Fournier Agnès , Carcaillon‐Bentata Laure , Moutengou Élodie , Escolano Sylvie , Tubert‐Bitter Pascale , Elbaz Alexis , Thiébaut Anne C.M. , Ahmed Ismaïl 
Published: August 2022

AbstractBackgroundAvailable treatments for Parkinson's disease (PD) are only partially or transiently effective. Identifying existing molecules that may present a therapeutic or preventive benefit for PD (drug repositioning) is thus of utmost interest.ObjectiveWe aimed at detecting potentially protective associations between marketed drugs and PD through a large‐scale automated screening strategy.MethodsWe implemented a machine learning (ML) algorithm combining subsampling and lasso logistic regression in a case–control study nested in the French national health data system. Our study population comprised 40,760 incident PD patients identified by a validated algorithm during 2016 to 2018 and 176,395 controls of similar age, sex, and region of residence, all followed since 2006. Drug exposure was defined at the chemical subgroup level, then at the substance level of the Anatomical Therapeutic Chemical (ATC) classification considering the frequency of prescriptions over a 2‐year period starting 10 years before the index date to limit reverse causation bias. Sensitivity analyses were conducted using a more specific definition of PD status.ResultsSix drug subgroups were detected by our algorithm among the 374 screened. Sulfonamide diuretics (ATC‐C03CA), in particular furosemide (C03CA01), showed the most robust signal. Other signals included adrenergics in combination with anticholinergics (R03AL) and insulins and analogues (A10AD).ConclusionsWe identified several signals that deserve to be confirmed in large studies with appropriate consideration of the potential for reverse causation. Our results illustrate the value of ML‐based signal detection algorithms for identifying drugs inversely associated with PD risk in health‐care databases. © 2022 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society
A Scaffold‐based Deep Generative Model Considering Molecular Stereochemical Information
Authors: Xu Tianxu , Wang Minjun , Liu Xiaoqian , Feng Dawei , Zhu Yanjuan , Fan Zhe , Rao Shurong , Lu Jing 
Published: August 2022

AbstractDesigning molecules with specific scaffolds can facilitate the discovery and optimization of lead compounds. Some scaffold‐based molecular generation models have been developed using deep‐learning methods based on specific scaffolds, although incorporating scaffold generalization is expected to achieve scaffold hopping. Moreover, most of the existing models focus on the 2D shape of the scaffold and overlook the stereochemical properties of the compound, especially for natural products. In this study, we optimized the scaffold‐based molecular generation model designed by Lim et al. (Chemical Science 2020, 11, 1153–1164). Real‐time ultrafast shape recognition with pharmacophore constraints (USRCAT) was introduced into the model to search for molecules similar to the 3D conformation and pharmacophore of the input scaffold sourced from the training set; the searched molecules were then used as new scaffolds to execute scaffold hopping. The optimized model could generate new molecules with the same chirality as the input scaffold. Furthermore, the probability distribution of the molecular structure and various physicochemical properties were analyzed to evaluate the model's generation capability. We thus believe that the optimized model can provide a basis for medicinal chemists to explore a wider chemical space toward optimization of the lead compounds and to screen the virtual compound library.
Differentiation of true progression from treatment response in high‐grade glioma treated with chemoradiation: a comparison study of 3D‐APTW and 3D‐PcASL imaging and DWI
Authors: Hou Huimin , Diao Yanzhao , Yu Jinchao , Xu Min , Wang Liming , Li Zhenzhi , Song Tao , Liu Yu , Yuan Zhenguo 
Published: August 2022

PurposeTo assess and compare the diagnostic performance of 3D amide proton‐transfer‐weighted (3D‐APTW) imaging, 3D pseudocontinuous arterial spin‐labeling (3D‐PcASL) imaging, and diffusion‐weighted imaging in distinguishing true progression (TP) from treatment response (TR) in posttreatment malignant glioma patients.Materials and methodsForty‐eight patients with suspected tumor recurrence were prospectively enrolled. Histological or longitudinal routine MRI follow‐up over six months was assessed to confirm lesion type. The apparent diffusion coefficient (ADC), relative APTWmax (rAPTW), and relative CBFmax values (rCBF) were measured in lesions with enhancing regions on post‐gadolinium T1‐weighted MRI. MRI parameters between the TP and TR groups were compared using Student's t tests. In addition, a receiver operating characteristic (ROC) curve was constructed, and the area under the ROC curve (AUC) was calculated to assess the differentiation diagnostic performance of each parameter.ResultsThe TP group showed a significantly higher rAPTW and rCBF than the TR group; the AUCs of rAPTW and rCBF to distinguish between TP and TR were 0.911 (with sensitivity of 90.3% and specificity of 82.4%) and 0.852 (with sensitivity of 80.6% and specificity of 82.4%), respectively. By adding the rAPTW values to rCBF values, the diagnostic ability was improved from 0.852 to 0.951. ADC showed no significant differences between the TP and TR groups, with an AUC lower than 0.70.ConclusionBoth 3D‐PcASL and 3D‐APTW imaging could distinguish TP from TR, and 3D‐APTW had a better diagnostic performance. Combining the rAPTW values and rCBF values achieved a better diagnostic performance.
Demystifying hyponatremia: A clinical guide to evaluation and management
Authors: Bhasin‐Chhabra Bhavna , Veitla Vineet , Weinberg Samuel , Koratala Abhilash 
Published: August 2022

AbstractHyponatremia (serum sodium <135 mEq/L) is a frequent electrolyte abnormality complicating the clinical care of hospitalized patients. Hyponatremia has been associated with an increased risk of mortality. Hyponatremia can be seen in patients with euvolemia, hypovolemia, or hypervolemia. Evaluation of hyponatremia relies on clinical assessment and estimation of serum sodium, urine electrolytes, and serum and urine osmolality in addition to other case‐specific laboratory parameters. In addition, point‐of‐care ultrasonography is an important adjunct to physical assessment in estimation of volume status. Understanding the pathophysiology of the underlying process can lead to a timely diagnosis and appropriate management of hyponatremia.
Trauma‐related electrolyte disturbances: From resuscitation to rhabdomyolysis
Authors: Fredrickson Kyla A. , Carver Thomas W. 
Published: August 2022

AbstractTraumatic injury results in drastic changes to a patient's normal physiology. The hormonal stress response, as well as some treatment strategies, lead to significant disruptions in electrolyte homeostasis that are important for clinicians to understand. In addition, advances in fluid resuscitation and modern transfusion practices have led to their own unique set of consequences, which we are just beginning to appreciate. Special attention is placed on rhabdomyolysis, as this distinct entity represents an extreme example of injury induced electrolyte derangements. This review describes the physiologic response to trauma and highlights some of the important electrolyte abnormalities that can be encountered while caring for the injured patient.
A 3D fully‐nonlinear potential‐flow solver for efficient simulations of large‐scale free‐surface waves
Authors: Hanssen Finn‐Christian Wickmann , Helmers Jens Bloch , Greco Marilena , Shao Yanlin 
Published: August 2022

AbstractIn the quest for a numerical method for surface waves and wave‐induced effects applicable when linear or weakly nonlinear methods are insufficient, a three‐dimensional numerical wave tank assuming fully‐nonlinear potential‐flow theory is proposed. When viscous‐flow effects, breaking waves or other violent flow‐phenomena are not of primary importance, potential‐flow methods may have similar capability in capturing the involved physics as Navier–Stokes solvers while being potentially more accurate in handling wave‐propagation mechanism and more computationally efficient. If made sufficiently accurate, efficient and numerically robust, fully‐nonlinear potential flow models can therefore represent a powerful tool in the study of ocean waves and their interaction with marine structures, which is the main motivation behind the present work. The governing Laplace equation for the velocity potential is solved using the harmonic polynomial cell method, which is a field method giving high‐order accuracy provided that the cells used to describe the water domain have no stretching or distortion. This can only be achieved in a grid with cubic cells, which leads to poor numerical efficiency unless measures are introduced to refine the grid locally. Here, to improve the efficiency using strictly cubic cells, an adaptive grid refinement technique is introduced. It is shown that this has the ability to improve the computational speed with a factor of up to 20 without sacrificing accuracy. Numerical results are shown to be in good agreement with highly accurate nonlinear reference solutions for regular and irregular waves of various steepness up to the limit of theoretical wave breaking. For long‐crested irregular waves, significant discrepancies with a second‐order theory for the crest‐height distribution are identified, while the second‐order theory appears to provide a better description of the crest height for the single short‐crested irregular sea state simulated. Having demonstrated that the proposed numerical method accurately models nonlinear wave phenomena up to the limit of wave breaking, future work should seek to implement wave‐body interaction capabilities. The adaptive grid refinement technique, which refines the grid dynamically depending on the position of boundaries of interest, is developed with this application in mind. Except from providing a robust way of dealing with wave‐body intersection points, extending the method to account for wave‐body interactions should therefore involve limited difficulty.
Non‐neutropenic fever in children with cancer: Management, outcomes and clinical decision rule validation
Authors: Walker Hannah , Esbenshade Adam J. , Dale Stephanie , Bhatia Kanika , Zhao Zhiguo , Babl Franz E. , Conyers Rachel , Haeusler Gabrielle M. 
Published: August 2022

AbstractIntroductionFever and infection are an important complication of childhood cancer therapy. Most research and guideline development has focussed on febrile neutropenia, with a paucity directed at non‐neutropenic fever (NNF). We describe the clinical presentation, management and outcomes of NNF in children with cancer, and externally validate the Esbenshade Vanderbilt (EsVan) clinical decision rules (CDR) to predict bacteraemia.MethodUsing a prospective database, retrospective data were collected on consecutive NNF episodes (fever ≥38.0°C and absolute neutrophil count >1.0 cells/mm3). Sensitivity, specificity and area under the receiver operator characteristic curve (AUC‐ROC) of the CDR were compared to derivation study.ResultsThere were 203 NNF episodes occurring in 125 patients. Severe sepsis was uncommon (n = 2, 1%) and bacteraemia occurred in 10 (4.9%, 95% confidence interval [CI]: 2.7%–8.8%) episodes. A confirmed or presumed bacterial infection requiring antibiotics occurred in 31 (15%) patients. Total 202 (99%) episodes received at least one dose of intravenous broad‐spectrum antibiotic and 141 (70%) episodes were admitted to hospital. Six (3%) episodes required intensive care unit (ICU)‐level care and there were no infection‐related deaths. The EsVan 1 rule had an AUC‐ROC of 0.67, 80% were identified as low risk, and sensitivity and specificity were 50% and 81.5%, respectively, for a risk threshold of 10%.ConclusionsSerious infection and adverse outcome are uncommon in children with NNF. Many children did not have a bacterial cause of infection identified, but were still treated with broad‐spectrum antibiotics and admitted to hospital. National clinical practice guidelines should be developed for this important cohort to enable risk stratification and optimise antibiotic management. Further research is required to determine appropriateness of EsVan CDR in our cohort.
The influence of induced holes on crashworthy ability of glass reinforced epoxy square tubes
Authors: Awd Allah Mahmoud M. , Shaker Ahmed , Hassan Mohamad A. , Abd El‐baky Marwa A. 
Published: August 2022

AbstractThe crashworthy ability of glass/epoxy (GFRP) square tubes with induced holes was studied under quasi‐static axial crashing. Four design parameters were chosen, each at three levels, to calculate crashworthiness indicators. The design variables are hole diameter (d), hole position/specimen length (P/L), number of holes/distribution (n), and speed (V). To get the optimum crashworthiness parameters, the design of experiments approach using Taguchi technique was adapted. Optimal conditions with minimum initial peak force (), maximum absorbed energy (U) and maximum specific energy absorption (SEA) were determined. Main effect, signal/noise ratio (S/N), and analysis of variance (ANOVA) were determined using MINITAB 18. Experiments based on L9 orthogonal array were performed. Results indicated that the dominant influencing parameter on is “n” with a contribution of 93.97%. “V” followed by “d” are the highest influencing parameters on “U” with a contribution of 49.07 and 43.02%, respectively. “d” is the highest influencing parameter on SEA, followed by “V” with a contribution of 50.71% and 46.12%, respectively. Confirmation tests were carried out to validate the estimated model with respect to experimental results. , U, and SEA of intact tube were 45.05 kN, 830.32 × 10−3 kJ, and 8.23 × 10−3 kJ/g, respectively. The optimum of GFRP tubes with cutouts was found to be 38.59% smaller than that of the intact specimen. The optimum U and SEA of are, respectively, 4.73% and 25.76% greater than those of intact specimen.
Game‐related behaviors among children and adolescents after school closure during the COVID‐19 pandemic: A cross‐sectional study
Authors: Yamamoto Naoki , Morimoto Yoshiro , Kinoshita Hirohisa , Kumazaki Hirokazu , Honda Sumihisa , Iwanaga Ryoichiro , Imamura Akira , Ozawa Hiroki 
Published: August 2022

AbstractAimIncreased exposure to digital gaming content among youth in recent years has raised serious health concerns. Social restrictions such as school closures, imposed worldwide because of the ongoing COVID‐19 pandemic, may increase exposure to gaming and lead to addictive gaming behavior in young people. In this study, we investigated gaming behaviors among Japanese students during COVID‐19 school closures.MethodsStudents completed questionnaires regarding their living conditions, game‐related behaviors, diagnosis of Internet addiction, psychological difficulties, and the impact of the COVID‐19 pandemic. We compared differences between the responses of potentially at risk for gaming disorder (potentially at risk for gaming disorder; defined in this paper with reference to the ICD‐11 MMS criteria for gaming disorder [PGD]) students who met the criteria for a diagnosis of gaming disorder in ICD‐11 MMS and those of control students. Logistic regression analysis was performed to predict the extent of factors contributing to potential gaming disorder.ResultsFour thousand and forty‐eight participants completed the survey. Compared with control students (93%), potentially at risk for gaming disorder (defined in this paper with reference to the ICD‐11 MMS criteria for gaming disorder, PGD) students (7%) reported playing games for longer times, spending more money on in‐game purchases, were of younger age at the start of game playing, showed a tendency toward Internet dependence, practised school avoidance or absenteeism, and demonstrated the need for psychological support. Moreover, participants in the PGD group reported more anxiety about COVID‐19 than control participants, as well as an increase in game‐playing time and amount of money spent on games during the COVID‐19 pandemic.ConclusionThese results indicate that young people classified as having a gaming disorder not only exhibit characteristic game‐related behaviors but may be psychologically and socially vulnerable and need special support, especially during the ongoing COVID‐19 pandemic.
A Laplacian‐regularized dual‐phase Gaussian process technique for semi‐supervised response surface modeling of black‐box functions
Authors: Martinez Stanford , Alaeddini Adel 
Published: August 2022

AbstractNumerous semi‐supervised learning strategies are designed to reduce the number of experiments to model expensive black‐box functions. However, most of the existing methods do not utilize the information of the estimated responses and the associated gradients in an effective manner. In this paper, we proposed a semi‐supervised learning configuration for the Gaussian process which utilizes the estimated responses and their gradients in a dual‐phase framework to improve the accuracy of estimation and reduce the number of expensive experiments required to represent a latent function. We also explore the incorporation of Laplacian regularization for information transfer using a combination of design vector and response surface elements between measured and unmeasured data points. Through several simulation studies and a case study on the evaluation of concrete strength prediction accuracy, we assess the effectiveness of the proposed framework and compare its performance against some of the existing Laplacian‐regularized methods in the Literature.
Distribution of nitrogen storage in density and size fractions varied with tillage practices and cropping systems with residue return in black soil of Northeast China
Authors: Zhang Yang , Zhang Yan , Gao Yan , Huang Dandan , Chen Xuewen , Zhang Shixiu , Zhang Xiaoping , McLaughlin Neil , Liang Aizhen 
Published: August 2022

AbstractCrop residue return can prevent the degradation of cropland caused by conventional tillage practice in Northeast China. Meanwhile, additional nitrogen (N) input from crop residue inevitably changes soil N pools. Our objectives were to evaluate soil N storage changes in soil physical fractions. The residue return treatments consisted of no‐tillage (NT) and moldboard plow (MP), combined with continuous maize (Zea mays L.) (MM) and maize–soybean [Glycine max (L.) Merr.] rotation (MS) cropping systems, that is, NTMM, NTMS, MPMM, MPMS; conventional tillage (removal of crop residue and deep plow) with continuous maize (CTMM) was included as a control. The concentration of total N (TN) in bulk soil and physical fractions (light fraction [LF], sand, silt, and clay) was measured. In 0‐to‐5‐cm layer, TN content was higher in NT than MP, whereas the result was opposite in 10‐to‐20‐cm layer. Thus, the stratification ratio (SR) of soil TN was greater under NT. The TN content in MM was greater than MS under both tillage practices with residue return. Residue return treatments increased soil N storage by 6.44–24.85% in 0–20 cm compared with CTMM. Continuous maize increased the N storage in all physical fractions, whereas the decrease of silt‐N storage was observed in MS. Overall, it was concluded that residue return could enhance soil N storage, whereas the distribution of N storage changes in LF and sand size fractions was influenced by tillage practice, and the distribution of N storage changes in silt size and clay size fractions was influenced by cropping system.
Inflammation Self‐Limiting Electrospun Fibrous Tape via Regional Immunity for Deep Soft Tissue Repair
Authors: Saiding Qimanguli , Cai Zhengwei , Deng Lianfu , Cui Wenguo 
Published: August 2022

AbstractOverexpression of inflammatory cytokines and chemokines occurs at deep soft tissue injury sites impeding the inflammation self‐limiting and impairing the tissue remodeling process. Inspired by the electrostatically extracellular matrix (ECM) binding property of the inflammatory signals, an inflammation self‐limiting fibrous tape is designed by covalently modifying the thermosensitive methacrylated gelatin (GelMA) and negatively charged methacrylated heparin (HepMA) hydrogel mixture with proper ratio onto the electrospun fibrous membrane by mild alkali hydrolysis and carboxyl‐amino condensation reaction to restore inflammation self‐limiting and promote tissue repair via regional immunity regulation. While the GelMA guarantees cell compatibility, the negatively charged HepMA successfully adsorbs the inflammatory cytokines and chemokines by electrostatic interactions and inhibits immune cell migration in vitro. Furthermore, in vivo inflammation self‐limiting and regional immunity regulation efficacy is evaluated in a rat abdominal hernia model. Reduced local inflammatory cytokines and chemokines in the early stage and increased angiogenesis and ECM remodeling in the later phase confirm that the tape is an approach to maintain an optimal regional immune activation level after soft tissue injury. Overall, the reported electrospun fibrous tape will find its way into clinical transformation and solve the challenges of deep soft tissue injury.
Enhanced Enzymatically Amplified Metallization on Nanostructured Surfaces for Multiplexed Point‐of‐Care Electrical Detection of COVID‐19 Biomarkers
Authors: Rafat Neda , Zhang Hanhao , Rudge Josiah , Kim Yoo Na , Peddireddy Sai Preetham , Das Nabojeet , Sarkar Aniruddh 
Published: August 2022

AbstractInexpensive yet sensitive and specific biomarker detection is a critical bottleneck in diagnostics, monitoring, and surveillance of infectious diseases such as COVID‐19. Multiplexed detection of several biomarkers can achieve wider diagnostic applicability, accuracy, and ease‐of‐use, while reducing cost. Current biomarker detection methods often use enzyme‐linked immunosorbent assays (ELISA) with optical detection which offers high sensitivity and specificity. However, this is complex, expensive, and limited to detecting only a single analyte at a time. Here, it is found that biomarker‐bound enzyme‐labeled probes act synergistically with nanostructured catalytic surfaces and can be used to selectively reduce a soluble silver substrate to generate highly dense and conductive, localized surface silver metallization on microelectrode arrays. This enables a sensitive and quantitative, simple, direct electronic readout of biomarker binding without the use of any intermediate optics. Furthermore, the localized and dry‐phase stable nature of the metallization enables multiplexed electronic measurement of several biomarkers from a single drop (<10 µL) of sample on a microchip.This method is applied for the multiplexed point‐of‐care (POC) quantitative detection of multiple COVID‐19 antigen‐specific antibodies. Combining a simple microchip and an inexpensive, cellphone‐interfaced, portable reader, the detection and discrimination of biomarkers of prior infection versus vaccination is demonstrated.