bluuebunny/crossref_metadata_2025_split huggingface dataset:
Density functional theory study of energetics, local chemical environment and magnetic properties in a high-entropic MnNiSi0.2Ge0.2Sn0.2Al0.2Ga0.2 intermetallic magnet
Authors: Hartnett Timothy Q , Lee Kyungtae , Balachandran Prasanna V 
Published: April 2023

Abstract
Rare-earth-free magnetostructural MnNiSi-based solid solutions are considered as promising candidates for solid-state cooling applications. In this paper, we use density functional theory calculations to study the energetics, variations in atomic displacements and bond length, and magnetic properties of high-entropic, intermetallic MnNi-X (X = Si0.2Ge0.2Sn0.2Al0.2Ga0.2) magnet in both the low-symmetry Pnma and high-symmetry

P

6
3

/

m
m
c

structures, where we confine the large configurational entropy to the non-magnetic X-site of the compound. Our calculations reveal that the high-entropic chemical substitution of Si0.2Ge0.2Sn0.2Al0.2Ga0.2 in the X-site carry fingerprints that favor a reduction in magnetostructural transition temperature with minimal impact of total magnetization. These results motivate a promising path of high-entropic X-site substitutions to tune the magnetostructural properties of MnNiSi-based solid solutions.
Development of multiscale analysis method for predicting thermo-mechanical properties of polymeric nanocomposites containing clustered nanoparticles
Authors: Lee Jihun , Kim Jae Hun , Wang Haolin , Shin Hyunseong 
Published: April 2023

Abstract
Thermo-mechanical properties of polymeric nanocomposites containing clustered nanoparticles are investigated using molecular dynamics (MD) simulation. Comparing between the dispersion and cluster models, it is revealed that the thermo-mechanical properties are decreased due to the clustering phenomenon. For effectively predicting the thermo-mechanical properties of polymeric nanocomposites, a multiscale analysis method is developed by linking the MD simulation and finite element homogenization analysis. Using the multiscale analysis, the elastic and shear moduli, and coefficient of thermal expansion (CTE) of the interphase can be obtained, and it is revealed that the reinforcement effect of the interphase is decreased due to the cluster phenomenon of nanoparticles. In addition, it is showed that this method can be used to accurately predict the elastic and shear moduli, and CTE of polymeric nanocomposites because of the clustering phenomenon.
Development of MATLAB code for tool path data extraction from the G code of the fused filament fabrication (FFF) parts
Authors: John Pretesh , Komma Venkateswara Rao , Bhore Skylab Paulas 
Published: April 2023

Abstract
The area of application of Fused filament fabrication (FFF) printing is regularly expanding, and the need for simulation of the geometry and mechanical properties to reduce the experimentation time and cost is a prime objective. In FFF printing, the input CAD model is converted into an STL file and then sliced with some software in a combination of layers, and accordingly, a tool path is generated, guiding the 3D printer to print. Thus, the printed part is not the same as the solid CAD model, but it is a layered solid part with various tool path settings or slicing parameters. This difference between the solid part and the layered replica part can cause errors in the calculations of mechanical properties. All the information related to layers, infill percentage, infill pattern, walls, etc, are stored in the form of various G or M codes in a G code file. The part orientation can also be visualized with the G code file. This G code file is the soft raw material for the FFF printer to execute the printing process. The correct reading and interpretation of the G code file are very essential to understand the 3D printing process from the core. The G code file can be used for multiple applications if the data is correctly extracted from it. This can be used to model the sliced or layered solid parts or to understand the extruder motions. In this work, a MATLAB code is generated to extract the data from the G code file and get the extrusion pattern with various infill patterns and percentages. The code was tested with multiple G code flavors, available in Cura and Slic3r software, and found suitable for all. The extracted data can be used further to model the sliced or layered solid model.
Effects of active noise on transition-path dynamics
Authors: Goswami Koushik , Metzler Ralf 
Published: April 2023

Abstract
We propose an extension of the existing model describing a biomolecular reaction such as protein folding or ligand binding which is usually visualised as the barrier crossing of a diffusing particle in a double-well potential. In addition to the thermal noise, an active noise modelled in terms of an Ornstein–Uhlenbeck process is introduced to the dynamics. Within this framework, we investigate the transition-path properties of an underdamped particle surmounting an energy barrier, and we show explicitly how these properties are affected by the activity and persistence of the particle. Our theoretical study suggests that an active particle can cross the barrier at comparatively shorter timescales by lowering the (effective) barrier height. In particular, we study how the persistence time of the active force alters the transition-path time (TPT) at different friction limits. Interestingly, in one of our models we find a nonmonotonic behaviour of the TPT which is absent in the overdamped limit. The framework presented here can be useful in designing a reaction in a non-equilibrium environment, particularly inside a living biological cell in which active fluctuations keep the system out of equilibrium.
Parallel synaptic design of ferroelectric tunnel junctions for neuromorphic computing
Authors: Moon Taehwan , Lee Hyun Jae , Nam Seunggeol , Bae Hagyoul , Choe Duk-Hyun , Jo Sanghyun , Lee Yun Seong , Park Yoonsang , Yang J Joshua , Heo Jinseong 
Published: April 2023

Abstract
We propose a novel synaptic design of more efficient neuromorphic edge-computing with substantially improved linearity and extremely low variability. Specifically, a parallel arrangement of ferroelectric tunnel junctions (FTJ) with an incremental pulsing scheme provides a great improvement in linearity for synaptic weight updating by averaging weight update rates of multiple devices. To enable such design with FTJ building blocks, we have demonstrated the lowest reported variability: σ/μ = 0.036 for cycle to cycle and σ/μ = 0.032 for device among six dies across an 8 inch wafer. With such devices, we further show improved synaptic performance and pattern recognition accuracy through experiments combined with simulations.
AB-Amy: machine learning aided amyloidogenic risk prediction of therapeutic antibody light chains
Authors: Zhou Yuwei , Huang Ziru , Gou Yushu , Liu Siqi , Yang Wei , Zhang Hongyu , Dzisoo Anthony Mackitz , Huang Jian 
Published: April 2023

Abstract
Over 120 FDA-approved antibody-based therapeutics are used to treat a variety of diseases.However, many candidates could fail because of unfavorable physicochemical properties. Light-chain amyloidosis is one form of aggregation that can lead to severe safety risks in clinical development. Therefore, screening candidates with a less amyloidosis risk at the early stage can not only save the time and cost of antibody development but also improve the safety of antibody drugs. In this study, based on the dipeptide composition of 742 amyloidogenic and 712 non-amyloidogenic antibody light chains, a support vector machine–based model, AB-Amy, was trained to predict the light-chain amyloidogenic risk. The AUC of AB-Amy reaches 0.9651. The excellent performance of AB-Amy indicates that it can be a useful tool for the in silico evaluation of the light-chain amyloidogenic risk to ensure the safety of antibody therapeutics under clinical development. A web server is freely available at http://i.uestc.edu.cn/AB-Amy/.
Safely Shaping the Breast After Implant Removal and Total Intact Capsulectomy Using the Mammary Imbrication Lift and Fixation Technique
Authors: Lampert Joshua A , Townsend Alexandra N , Shah Sunny , Bouz Antoun , Nichols Natasha 
Published: April 2023

Abstract

Background
Implant-based breast augmentation is one of the most popular plastic surgery procedures performed worldwide. As the number of patients who have breast implants continues to rise, so does the number of those who request breast implant removal without replacement. There is little in the current scientific literature describing total intact capsulectomy and simultaneous mastopexy procedures.

Objectives
Here, the authors present their current method using the mammary imbrication lift and fixation technique after explant and total capsulectomy.

Methods
Between 2016 and 2021, a total of 64 patients (mean age: 42.95 years; range, 27-78 years) underwent the described mammary imbrication lift and fixation technique with bilateral breast implant removal and total capsulectomy.

Results
Mean follow-up was 6.5 months (range, 1-36 months). Postoperative complications included minor cellulitis in 1 patient (1.6%), late onset hematoma with infection in 1 patient (1.6%), fat necrosis and pulmonary embolism in 1 patient with prior history of thromboembolic events (1.6%), and breast scar irregularity in 4 patients (6.2%) who required subsequent minor scar revision or steroid injections. Two patients (1.6%) underwent revision surgery with bilateral breast fat grafting to improve shape and add volume.

Conclusions
The mammary imbrication lift and fixation technique described here can safely and simultaneously be performed with a total intact capsulectomy and explant procedure. This technique avoids wide undermining, intentionally opening the capsule, performing subtotal capsulectomy, and preserving blood supply to the breast tissue and nipple with low complication rates.

Level of Evidence: 3
sInterBase: a comprehensive database of Escherichia coli sRNA–mRNA interactions
Authors: Cohen Shani , Maximof Eden , Rokach Shay , Tadeski Mor , Veksler-Lublinsky Isana 
Published: April 2023

Abstract

Summary
sInterBase is a comprehensive and easy-to-operate web-based platform for mining experimentally identified sRNA–mRNA interactions in Escherichia coli. Interactions in the database are annotated with an interaction duplex and a set of descriptive features. sInterBase provides advanced functionality, such as flexible search based on various criteria, statistical analysis via charts, browsing, and downloading interactions for further use.

Availability and implementation
sInterBase is available at https://sinterbase.cs.bgu.ac.il/.
Urine as matrix for analysis of neurofilament light chain is not suitable to distinguish frontotemporal dementia from psychiatric diseases
Authors: van Engelen Marie-Paule E , Heijst Hans , Willemse Eline A J , Oudega Mardien L , Vermunt Lisa , Scheltens Philip , Vijverberg Everard G B , Pijnenburg Yolande A L , Teunissen Charlotte E 
Published: April 2023

Abstract
The clinical overlap of frontotemporal dementia and primary psychiatric diseases hampers diagnostic distinction, leading to frequent misdiagnosis and diagnostic delay. Neurofilament light chain has shown great potential in CSF and blood for the distinction of frontotemporal dementia from primary psychiatric diseases. Measurement of neurofilament light chain in urine would be even more patient-friendly. We aimed to test the performance of neurofilament light chain urine measurements for diagnostics in frontotemporal dementia and to assess their correlation with serum levels. Fifty-five subjects (n = 19 frontotemporal dementia, n = 19 primary psychiatric diseases and n = 17 controls) were included with available paired urine and serum samples. All subjects underwent standardized extensive diagnostic assessment. Samples were analysed with the ultrasensitive single molecule array neurofilament light chain assay. Neurofilament light chain group comparisons were performed adjusted for age, sex and geriatric depression scale. In the majority of the cohort, neurofilament light chain concentrations were not detectable in urine (n = 6 samples above lower limit of detection (0.038 pg/ml): n = 5 frontotemporal dementia, n = 1 primary psychiatric disease). The frequency of a detectable neurofilament light chain level in urine in the frontotemporal dementia group did not differ from psychiatric disorders (Fisher Exact-test P = 0.180). In the individuals with detectable urine neurofilament light chain values, there was no correlation between the urine and serum neurofilament light chain levels. As expected, serum neurofilament light chain levels were higher in frontotemporal dementia compared to primary psychiatric diseases and controls (P &lt; 0.001), adjusted for age, sex and geriatric depression scale. Receiver operating characteristic curve analysis of serum neurofilament light chain of frontotemporal dementia versus primary psychiatric diseases showed an area under the curve of 0.978 95% confidence interval 0.941–1.000, P &lt; 0.001. Urine is not suitable as a matrix for neurofilament light chain analysis and serum neurofilament light chain is still the most patient-friendly matrix for differentiation between frontotemporal dementia and primary psychiatric diseases.
Neural dysregulation in post-COVID fatigue
Authors: Baker Anne M E , Maffitt Natalie J , Del Vecchio Alessandro , McKeating Katherine M , Baker Mark R , Baker Stuart N , Soteropoulos Demetris S 
Published: April 2023

AbstractFollowing infection with SARS-CoV-2, a substantial minority of people develop lingering after-effects known as ‘long COVID’. Fatigue is a common complaint with a substantial impact on daily life, but the neural mechanisms behind post-COVID fatigue remain unclear. We recruited 37 volunteers with self-reported fatigue after a mild COVID infection and carried out a battery of behavioural and neurophysiological tests assessing the central, peripheral and autonomic nervous systems. In comparison with age- and sex-matched volunteers without fatigue (n = 52), we show underactivity in specific cortical circuits, dysregulation of autonomic function and myopathic change in skeletal muscle. Cluster analysis revealed no subgroupings, suggesting post-COVID fatigue is a single entity with individual variation, rather than a small number of distinct syndromes. Based on our analysis, we were also able to exclude dysregulation in sensory feedback circuits and descending neuromodulatory control. These abnormalities on objective tests may aid in the development of novel approaches for disease monitoring.
Undiagnosed Pulmonary Tuberculosis (TB) and Coronavirus Disease 2019 (COVID-19) in Adults Dying at Home in a High-TB-Burden Setting, Before and During Pandemic COVID-19: An Autopsy Study
Authors: Sabet Nadia , Omar Tanvier , Milovanovic Minja , Magajane Tebogo , Mosala Modiehi , Moloantoa Tumelo , Kato-Kalule Nalukenge , Semedo Lenise Varela , Swanepoel Floris , Wallis Carole , Abraham Pattamukkil , Lebina Limakatso , Variava Ebrahim , Martinson Neil 
Published: April 2023

Abstract

Background
Missing or undiagnosed patients with tuberculosis (TB) or coronavirus disease 2019 (COVID-19) are of concern. Identifying both infections in patients with no diagnosis prior to death contributes to understanding the burden of disease. To confirm reports of global reduction in TB incidence, a 2012 autopsy study of adults dying at home of natural causes in a high-TB-burden setting was repeated, including severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) assessments after the first COVID-19 surge in South Africa.

Methods
Adult decedents who died at home with insufficient information to determine cause of death, no recent hospitalization, and no current antemortem TB or COVID-19 diagnosis were identified between March 2019 and October 2020 with a 4-month halt during lockdown. A standardized verbal autopsy followed by minimally invasive needle autopsy (MIA) was performed. Biopsies were taken for histopathology from liver, bilateral brain and lung; bronchoalveolar lavage fluid was collected for Xpert (MTB/RIF) and mycobacterial culture, and blood for human immunodeficiency virus (HIV) polymerase chain reaction (PCR) testing. After the start of the COVID-19 pandemic, a nasopharyngeal swab and lung tissue were subjected to SARS-CoV-2 PCR testing.

Results
Sixty-six MIAs were completed in 25 men and 41 women (median age, 60 years); 68.2% had antemortem respiratory symptoms and 30.3% were people with HIV. Overall, TB was diagnosed in 11 of 66 (16.7%) decedents, and 14 of 41 (34.1%) in the COVID-19 pandemic were SARS-CoV-2 positive.

Conclusions
Undiagnosed TB in adults dying at home has decreased but remains unacceptably high. Forty percent of decedents had undiagnosed COVID-19, suggesting that estimates of excess deaths may underestimate the impact of SARS-CoV-2 on mortality.
Single puncture approach guided by transesophageal echocardiography for atrial fibrillation ablation in a patient with prior percutaneous septal closure: case report
Authors: Oliveira Mário , Sousa Lidia , Trindade Ana , da Silva Nogueira 
Published: April 2023

Abstract

Background
Atrial septal defect (ASD) is associated with a risk of developing atrial fibrillation (AF) higher than in the general population, even after percutaneous or surgical septal closure. Catheter ablation is an effective treatment strategy for preventing recurrences and reducing the AF burden. However, electrophysiologists are faced with technical difficulties and the risk of complications with the left atrium access in patients with prior ASD percutaneous closure.

Case summary
We report a case of a patient with highly symptomatic paroxysmal AF, with an ASD, closed percutaneously many years before, who underwent a successful catheter AF ablation, using a single transeptal (TSP) approach guided by transesophageal echocardiography (TEE).

Discussion
In patients with ASD and an occluder device implanted, there is a potential risk for septal tear during the TSP passage, device dislodgement, or thrombus formation on the device. Atrial fibrillation ablation in this subset of patients has often been protracted and scarcely reported. TEE and intra-cardiac echocardiography have been increasingly used for interventional procedure guidance during AF ablation. As described here, AF ablation using a simplified single TSP guided by TEE is feasible, safe, and effective after device ASD closure.
Transcatheter aortic valve replacement for acute aortic regurgitation due toStaphylococcus aureusinfective endocarditis complicated with a perivalvular abscess: a case report
Authors: Vila-Olives Rosa , Oristrell Gerard , Rello Pau , Fernández-Hidalgo Núria 
Published: April 2023

AbstractBackgroundInfective endocarditis is a life-threatening disease associated with high mortality. Appropriate antimicrobial treatment and cardiac surgery, when indicated, are closely related to prognosis. When cardiac surgery is contraindicated, prognosis worsens dramatically. There is few data concerning the use of transcatheter aortic valve replacement after healed aortic valve endocarditis or during active IE. We present the first case report of a transcatheter aortic valve replacement implanted during antimicrobial therapy for a severely symptomatic acute aortic regurgitation due to an infective endocarditis complicated with a perivalvular abscess.Case summaryA 68-year-old man was admitted due to left hemiparesis and fever. An acute ischaemic stroke with haemorrhagic transformation was diagnosed. Blood cultures were positive for methicillin-susceptible Staphylococcus aureus and a transoesophageal echocardiogram revealed an aortic endocarditis with an acute severe aortic regurgitation and a perivalvular abscess. Urgent cardiac surgery was contraindicated due to intracranial haemorrhage. However, the patient developed refractory pulmonary oedema and haemodynamic instability. Despite the perivalvular abscess, a transcatheter aortic valve replacement was successfully performed 15 days after the diagnosis. Nine months after completing antimicrobial therapy, there were no signs of relapse.DiscussionTranscatheter aortic valve replacement could be considered in selected patients with symptomatic severe aortic regurgitation due to aortic infective endocarditis during antimicrobial therapy when cardiac surgery is contraindicated.
Association of prolactin with all-cause and cardiovascular mortality among patients with type 2 diabetes: a real-world study
Authors: Shen Yun , Yang Qing , Hu Tingting , Wang Yaxin , Chen Lei , Gao Fei , Zhu Wei , Hu Gang , Zhou Jian , Wang Chunfang , Bao Yuqian 
Published: April 2023

Abstract

Aims
The association between prolactin and mortality has been less studied, and findings were inconsistent among different populations. We aimed to investigate the association between serum prolactin (PRL) and mortality among patients with type 2 diabetes.

Methods and results
We performed a retrospective cohort study of 10 907 patients with at least 2 prolactin measurements within 2 years since their first inpatient diagnosis of type 2 diabetes. Baseline and mean values of serum PRL were used as exposures. A multivariable-adjusted Cox proportional hazards model was used to estimate the association between PRL and mortality. During a mean follow-up of 5.34 years, 863 patients died, of whom 274 were due to cardiovascular events. Multivariable-adjusted hazard ratios (aHRs) based on different levels of baseline PRL (&lt;100, 100–199, 200–299, and ≥300 mIU/L) were 1.00, 1.10 [95% confidence interval (CI), 0.90–1.36], 1.35 (95% CI 1.11–1.67), and 1.49 (95% CI 1.18–1.84) for all-cause mortality and 1.00, 1.24 (95% CI 0.86–1.81), 1.71 (95% CI 1.14–2.62), and 2.42 (95% CI 1.55–3.78) for cardiovascular mortality, respectively. Positive associations were also found when we used the mean values of PRL as the exposure. These associations were consistent among patients of different baseline characteristics. Further sensitivity analyses excluding patients with subclinical or clinical hypothyroidism at baseline and who died within the first 6 months since baseline demonstrated similar results.

Conclusions
A positive association between baseline PRL and mortality was observed among patients with type 2 diabetes. Prolactin may be considered a potential biomarker of mortality among patients with type 2 diabetes.
Osmotic stress responses and the biology of the second messenger c-di-AMP inStreptomyces
Authors: Bhowmick Sukanya , Shenouda Mary L , Tschowri Natalia 
Published: April 2023

AbstractStreptomyces are prolific antibiotic producers that thrive in soil, where they encounter diverse environmental cues, including osmotic challenges caused by rainfall and drought. Despite their enormous value in the biotechnology sector, which often relies on ideal growth conditions, how Streptomyces react and adapt to osmotic stress is heavily understudied. This is likely due to their complex developmental biology and an exceptionally broad number of signal transduction systems. With this review, we provide an overview of Streptomyces' responses to osmotic stress signals and draw attention to open questions in this research area. We discuss putative osmolyte transport systems that are likely involved in ion balance control and osmoadaptation and the role of alternative sigma factors and two-component systems (TCS) in osmoregulation. Finally, we highlight the current view on the role of the second messenger c-di-AMP in cell differentiation and the osmotic stress responses with specific emphasis on the two models, S. coelicolor and S. venezuelae.