bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hypothesis Learning in Automated Experiment: Application to Combinatorial Materials Libraries
Authors: Ziatdinov Maxim A. , Liu Yongtao , Morozovska Anna N. , Eliseev Eugene A. , Zhang Xiaohang , Takeuchi Ichiro , Kalinin Sergei V. 
Published: March 2022

AbstractMachine learning is rapidly becoming an integral part of experimental physical discovery via automated and high‐throughput synthesis, and active experiments in scattering and electron/probe microscopy. This, in turn, necessitates the development of active learning methods capable of exploring relevant parameter spaces with the smallest number of steps. Here, an active learning approach based on conavigation of the hypothesis and experimental spaces is introduced. This is realized by combining the structured Gaussian processes containing probabilistic models of the possible system's behaviors (hypotheses) with reinforcement learning policy refinement (discovery). This approach closely resembles classical human‐driven physical discovery, when several alternative hypotheses realized via models with adjustable parameters are tested during an experiment. This approach is demonstrated for exploring concentration‐induced phase transitions in combinatorial libraries of Sm‐doped BiFeO3 using piezoresponse force microscopy, but it is straightforward to extend it to higher‐dimensional parameter spaces and more complex physical problems once the experimental workflow and hypothesis generation are available.
Confinement–Unconfinement Transformation of ILs in IL@MOF Composite with Multiple Adsorption Sites for Efficient Water Capture and Release
Authors: Gu Xingping , Han Guopeng , Yang Qingyuan , Liu Dahuan 
Published: March 2022

AbstractWater adsorption based on porous materials is of fundamental importance in atmospheric water harvesting and dehumidification. Herein, a [BOHmim][Zn2Cl5]@MIL‐101(Cr) composite with multiple adsorption sites is designed to enhance the water adsorption capacity. It is interesting to observe that there is a water‐responsive confinement–unconfinement transformation of ionic liquids (ILs) during the water adsorption and release process. Thus, it can simultaneously overcome the limitation of pore volume in traditional porous materials, and the problem of mass transfer in pure ILs. As a result, the obtained IL@MOF composite achieves a high water adsorption capacity (477 wt%) at 298 K and RH = 95%, which can be released under relatively mild operating conditions (313 K, RH = 40%). This work provides a general way to develop adsorbents for the capture of molecules with high polarity and low dew‐point in combination with the advantages of ILs and metal–organic frameworks (MOFs).
Mental health among patients with non‐Hodgkin lymphoma: A Danish nationwide study of psychotropic drug use in 8750 patients and 43 750 matched comparators
Authors: Øvlisen Andreas Kiesbye , Jakobsen Lasse Hjort , Kragholm Kristian Hay , Nielsen René Ernst , de Nully Brown Peter , Dahl‐Sørensen Rasmus Bo , Frederiksen Henrik , Mannering Nikolaj , Josefsson Pär Lars , Ludvigsen Al‐Mashhadi Ahmed , Jørgensen Judit Mészáros , Dessau‐Arp Andriette , Clausen Michael Roost , Pedersen Robert Schou , Torp‐Pedersen Christian , Severinsen Marianne Tang , El‐Galaly Tarec Christoffer 
Published: March 2022

AbstractPsychological distress following cancer diagnosis may lead to mental health complications including depression and anxiety. Non‐Hodgkin lymphomas (NHLs) include indolent and aggressive subtypes for which treatment and prognosis differ widely. Incident use of psychotropic drugs (PDs—antidepressants, antipsychotics, and anxiolytics) and its correlation to lymphoma types can give insights into the psychological distress these patients endure. In this prospective matched cohort study, we used nationwide population‐based registries to investigate the cumulative risk of PD use in NHL patients compared to a sex‐ and age‐matched cohort from the Danish background population. In addition, contact patterns to psychiatric departments and incident intentional self‐harm or completed suicide were explored. In total, 8750 NHL patients and 43 750 matched comparators were included (median age 68; male:female ratio 1.6). Median follow‐up was 7.1 years. Two‐year cumulative risk of PD use was higher in NHL patients (16.4%) as compared to the matched comparators (5.1%, p < .01); patients with aggressive NHL subtypes had the highest incidence. Prescription rates were higher in the first years after diagnosis but approached the rate of the matched population 5 years into survivorship in aggressive NHLs, whereas patients with indolent subtypes continued to be at higher risk. NHL patients had a slightly higher two‐year risk of suicide/intentional self‐harm (0.3%) as compared to the matched comparators (0.2%, p = .01). These results demonstrate that mental health complications among NHL patients are frequent. Routine assessment for symptoms of depression and anxiety should be consider as part of standard follow‐up of NHL patients.
Online monitoring and fault diagnosis for uneven length batch process based on multi‐way orthogonal enhanced neighborhood preserving embedding
Authors: Zhang Yan , Zhao Xiaoqiang , Hui Yongyong , Liu Kai 
Published: March 2022

AbstractIn the practical batch process, the duration of each batch is probably different, and the key event happened may also vary from batch to batch. This paper proposes an effective fault diagnosis algorithm to synchronize the batch runs with uneven duration and keep the key features that reflect the running state of batch process. To address the batch out of sync, the relaxed greedy time warping is used to accurate on‐line synchronization of ongoing batch and avoid evaluating the optimal path every time a new sample is available. For online monitoring and fault diagnosis, an important step is how to extract key features that reflect the running state of batch process, on which basis a weight matrix considers the distance between the neighbor data is embedded to construct the enhanced objective function, and then the mutually orthogonal basis functions which represent the local geometrical structure are computed to extract key features of batch process. After a fault is detected, the contribution plot method is used to diagnose the variables that cause this fault. The effectiveness of the proposed algorithm is verified by the penicillin fermentation process.
High‐resolution simulation of a severe case of low‐level windshear at the Hong Kong International Airport: Turbulence intensity and sensitivity to turbulence parameterization scheme
Authors: Chan Pak Wai , Lai Kai Kwong , Li Qiu Sheng 
Published: March 2022

AbstractLarge eddy simulations are performed for a severe windshear case of terrain‐induced airflow disturbances at the Hong Kong International Airport. The objectives of the study include: (i) to investigate the performance of large eddy simulation in capturing the turbulence intensity to be encountered by the aircraft; and (ii) to find out the impact of the choice of turbulence parameterization scheme on the simulation results. The structure functions of the headwind profiles are calculated, and the simulated velocity and the LIDAR data are found to have similar behavior. The cube root of eddy dissipation rate is also calculated, which is taken to be the metric of turbulence intensity in aviation application. All EDR calculated has similar behavior. They have good correlation, but the best‐fit‐straight‐line of the scatter plot is found to have a slope far away from unity. The reason for this needs to be studied further. Finally, a simulation with the use of Smagorinsky scheme is performed. It is found to have better performance in capturing pilot windshear reports in terms of the relative operating characteristic curve. The use of Smagorinsky scheme alone may be an alternative in the choice of turbulence parameterization scheme in the alerting of windshear using large eddy dissipation, but the computational cost is too expensive. It is important to note that the present results are based on one case only and more cases would need to be studied in order to establish the robustness of the conclusions. More experiments would also need to be conducted, for example, in which nest(s) to use the Smagorinsky scheme.
A risk model of 10 aging‐related genes for predicting survival and immune response in triple‐negative breast cancer
Authors: Yang Xia , Sun Yanhua , Liu Xia , Jiang Zhinong 
Published: March 2022

AbstractAccumulated studies showed that the clinical significance of aging on the development and malignancy of tumors, while the relationship between aging and the prognosis, immune response in triple‐negative breast cancer (TNBC) has not been well clarified. Here, we constructed a risk model of 10 prognostic aging‐related genes (ARGs) from METABRIC database. Then, TNBC patients were classified into high‐ and low‐risk groups, the survival diversity, immune response, genomic function, and tumor mutation burden (TMB) between different risk groups were explored in METABRIC, TCGA, and GSE58812 cohorts. Results showed that patients in the high‐risk group had poorer survival outcomes compared to their counterparts (all p < 0.05), and the nomogram we established showed reliable prediction ability for survival in TNBC patients. Besides, TNBC patients with high‐risk scores had a lower expression of immune checkpoint markers and a lower fraction of activated immune cells. Furthermore, GSEA showed that Notch signaling pathway was significantly enriched in the high‐risk group. Thus, a risk model based on the aging‐related genes was developed and validated in this study, which may serve as a potential biomarker for prognosis and personalized treatment in TNBCs.
Use of Nd:YAG laser in bruise resolution caused by an injectable dermal filler procedure
Authors: Dekeyser Barry , Wellens Marijke , Talaber Iva 
Published: March 2022

AbstractInjectable dermal fillers are in high demand. Patients undergoing this treatment are frequently burdened by bruising in the days following the procedure. Bruises associated with dermal fillers usually resolve spontaneously within 10 to 14 days, but patients want shorter downtime. We present a case of a bruise treatment with Nd:YAG laser consisting of three sessions in two day intervals, where the bruise resolved after seven days from the start of laser treatment. To date, the reports on laser therapy for bruise resolution are mostly limited to intense pulsed light and pulsed dye laser, and this case report contributes to the demonstration of Nd:YAG laser efficacy for this indication.
Principles of empiric antimicrobial usage and dosing: Lessons learned
Authors: Lalonde Kathryn M. , Black Cameron , Lam John C. 
Published: March 2022

AbstractA lack of clinical response to empiric antimicrobials behooves the clinician to reflect further on diagnostic considerations. When prescribing antibiotics, determining the correct dose, most optimal route of administration, and considering the pharmacokinetic properties of the drug with respect to clinical and patient factors are crucial.
Frank's sign with acute aortic dissection
Authors: Nishiori Hironobu , Watanabe Hiroyuki , Hirano Yuichi , Otsu Masayoshi 
Published: March 2022

AbstractA 59‐year‐old man with a long smoking history presented with sudden back pain. Frank's sign was noticed in his bilateral ears, and computed tomography revealed Stanford type A acute aortic dissection. If young patients have Frank's sign, attention should be paid to aortic disease in addition to coronary artery disease.
Highly sensitive LC‐MS method for stereochemical quality control of a pharmaceutical drug substance intermediate
Authors: Wang Lin , Tong Weidong , Antonucci Vincent , Helmy Roy , Truong Van 
Published: March 2022

AbstractStereochemical quality control for pharmaceutical drug substance intermediates is a daunting task, especially considering the need to separate multiple stereoisomers simultaneously with low ppm level sensitivity. To address these challenges, we have successfully implemented chiral column screening, and developed an ultrasensitive liquid chromatography–mass spectrometry (LC‐MS) method to separate four stereoisomers including the API intermediate, its enantiomer, and two other diastereomers. Parameters such as mobile phase additives, MS fragmentor, and column temperature were optimized to achieve the desired selectivity and sensitivity. The method enabled stereoisomer detection with high sensitivity (2 ppm LOD and 5 ppm LOQ), good linearity, and desired spike recovery, and it has been successfully applied for stereoisomer quantitation in multiple large‐scale batches and demonstrated chiral quality control of the drug substance intermediate.
Chiral separation of β‐blockers by supercritical fluid chromatography using Chiralpak‐IG and Chiralpak IBN‐5 columns
Authors: Ali Imran , Alam Syed Dilshad , Raja Rupak , Shirsath Vikas , Jain Arvind K. , Yusuf Kareem , Aljuwayid Ahmed muteb , Sillanpää Mika 
Published: March 2022

AbstractChiral separation of β‐blockers is performed by utilizing the supercritical fluid chromatographic method. The chiral columns utilized were Chiralpak IG and Chiralpak IBN‐5. The finest mobile phase was CO2 −0.2% TEA in methanol (60:40). The values atenolol enantiomers retention factors were 6.39 and 8.98. These values for propranolol enantiomers were 3.39 and 4.06. These values for betaxolol enantiomers were 4.08 and 4.68. The separation and resolution factor values for atenolol, propranolol, and betaxolol were 1.41 and 3.33, 1.19 and 2.23, and 1.15 and 1.87, separately and respectively. By comparison, it was observed that Chiralpak IG column is better than Chiralpak IBN‐5 column. Supercritical fluid chromatography has been found as the best analytical technique due to its high speed, being eco‐friendly, and being economic. The various most probable interactions responsible for the chiral resolution are hydrogen bonding, dipole–dipole interactions, steric effect, and π–π interactions. The reported methods are effective, efficient, and reproducible and may be used to separate and identify atenolol, propranolol, and betaxolol in any unknown samples.
PRAME protein expression in DICER1‐related tumours
Authors: Thorner Paul S , Chong Anne‐Sophie , Nadaf Javad , Benlimame Naciba , Marrano Paula , Chami Rose , Fu Lili , Foulkes William D 
Published: March 2022

AbstractDICER1 syndrome is an autosomal dominant tumour predisposition syndrome usually affecting persons under 30 years of age. Many of the associated benign and malignant lesions occur almost exclusively in DICER1 syndrome. One such tumour, pituitary blastoma (pitB), overexpresses PRAME 500x above control levels. PRAME (PReferentially expressed Antigen in MElanoma) is expressed in malignancies that are not DICER1‐related (e.g. melanoma). To address whether PRAME expression is part of the DICER1 phenotype, or simply a feature of pitB, a series of 75 DICER1‐mutated specimens and 33 non‐mutated specimens was surveyed using immunohistochemistry for PRAME, together with EZH2, which complexes with PRAME. In DICER1‐mutated specimens, positive staining for PRAME was only seen in malignant tumours; 7 of 11 histological types and 34/62 individual tumours were positive, while non‐tumourous lesions were always negative. Pleuropulmonary blastoma (PPB) showed a continuum in staining, with type I lesions being PRAME negative (n = 7) but all type II and type III lesions PRAME positive (n = 7). Similarly, cystic nephroma (CN) was negative (n = 8), with anaplastic sarcoma of the kidney being positive (n = 2). However, one atypical CN with mesenchymal cell proliferation was PRAME‐positive. Embryonal rhabdomyosarcoma (RMS) with DICER1 pathogenic variants (PVs) was positive for PRAME (5/6), but the same tumour type without DICER1 PVs was also positive (9/15). Staining for EZH2 corresponded to that seen with PRAME, validating the latter. This study leads us to conclude that (1) PRAME expression occurs in two‐thirds of DICER1‐related malignancies; (2) PRAME may be a marker for the progression that certain DICER1‐related lesions are thought to undergo, such as PPB and CN; and (3) PRAME expression in some tumours, such as RMS, appears to be an intrinsic feature of the tumour, rather than specifically related to DICER1 PVs. Therapy directed against PRAME may offer novel treatment options in patients with the DICER1 syndrome.
Health status improvement with ferric carboxymaltose in heart failure with reduced ejection fraction and iron deficiency
Authors: Butler Javed , Khan Muhammad Shahzeb , Friede Tim , Jankowska Ewa A. , Fabien Vincent , Goehring Udo‐Michael , Dorigotti Fabio , Metra Marco , Piña Ileana L. , Coats Andrew J.S. , Rosano Giuseppe , Comin‐Colet Josep , Van Veldhuisen Dirk J. , Filippatos Gerasimos S. , Anker Stefan D. , Ponikowski Piotr 
Published: March 2022

AimIntravenous ferric carboxymaltose (FCM) has been shown to improve overall quality of life in iron‐deficient heart failure with reduced ejection fraction (HFrEF) patients at a trial population level. This FAIR‐HF and CONFIRM‐HF pooled analysis explored the likelihood of individual improvement or deterioration in Kansas City Cardiomyopathy Questionnaire (KCCQ) domains with FCM versus placebo and evaluated the stability of this response over time.Methods and resultsChanges versus baseline in KCCQ overall summary score (OSS), clinical summary score (CSS) and total symptom score (TSS) were assessed at weeks 12 and 24 in FCM and placebo groups. Mean between‐group differences were estimated and individual responder analyses and analyses of response stability were performed. Overall, 760 (FCM, n = 454) patients were studied. At week 12, the mean improvement in KCCQ OSS was 10.6 points with FCM versus 4.8 points with placebo (least‐square mean difference [95% confidence interval, CI] 4.36 [2.14; 6.59] points). A higher proportion of patients on FCM versus placebo experienced a KCCQ OSS improvement of ≥5 (58.3% vs. 43.5%; odds ratio [95% CI] 1.81 [1.30; 2.51]), ≥10 (42.4% vs. 29.3%; 1.73 [1.23; 2.43]) or ≥15 (32.1% vs. 22.6%; 1.46 [1.02; 2.11]) points. Differences were similar at week 24 and for CSS and TSS domains. Of FCM patients with a ≥5‐, ≥10‐ or ≥15‐point improvement in KCCQ OSS at week 12, >75% sustained this improvement at week 24.ConclusionTreatment of iron‐deficient HFrEF patients with intravenous FCM conveyed clinically relevant improvements in health status at an individual‐patient level; benefits were sustained over time in most patients.
Comparative analysis of renewable diesel and biodiesel produced from Jatropha oil
Authors: Koul Rashi , Kumar Naveen , Singh Ramesh Chandra 
Published: March 2022

AbstractThe quest of moving from conventional diesel fuels to alternate fuels is never‐ending. Renewable diesel stands out as it has a similar molecular structure to that of diesel. Renewable diesel from hydroprocessing of Jatropha oil in presence of ruthenium catalyst is not much researched and the same has been worked upon in this paper. The objective of this paper is to analyze physiochemical properties of renewable diesel (R100), biodiesel (B100), and blends of diesel (D100) and renewable diesel and to check the operational feasibility. Renewable diesel was mixed in 10%, 20%, 30%, 40%, and 50%, by volume in diesel. It was observed that renewable diesel had better cold flow properties than diesel. Calorific value (CV) of renewable diesel and biodiesel was 1.84% and 3.92% less than diesel respectively. Present study shows up to 30% renewable diesel in diesel is a substitute fuel, as their viscosities (2.55, 2.60, 2.64cSt), densities (834.4 kg/m3, 831.87 kg/m3, 830.6 kg/m3) and CVs (42.42 MJ/kg, 42.30 MJ/kg, 42.09 MJ/kg) are close to diesel (2.42cSt, 837 kg/m3 and 42.57 MJ/kg). This is also confirmed by a storage stability test conducted for 24 weeks. Cetane number of blends of R100 greater than 30% are found to be high; this can interfere with engine power output hence requiring amendments in current engines, which is not possible, therefore it is feasible to use blends only up to 30% of R100. GC–MS and Fourier transform infrared radiation showed a higher number of hydrocarbon atoms with diminutive oxygen percentage in R100, vis‐a‐vis, higher levels of unsaturation with more oxygen in B100.
Kinetic models to describe Nannochloropsis salina cultivation under different illumination conditions
Authors: Shirazian Pejman , Azin Mehrdad , Bozorg Ali 
Published: March 2022

AbstractNannochloropsis salina (N. salina) has recently received growing interests as a sustainable source of high‐value bioproducts. As the illumination condition could be manipulated to affect the microalgae activities in indoor cultivation, in this study, kinetic models were developed to describe the growth and bioproduct formation in N. salina under different illumination conditions. Being continuously exposed to white (380–760 nm), blue (430 nm), red (680 nm), and mixed blue/red light, the growth of N. salina was assessed over the course of 12 days incubation and the evolving cell densities, lipid, and carbohydrate concentrations were recorded. Kinetic models were then used to fit the experimental results and describe microalgae behaviors with respect to illumination conditions. The highest growth rates were recorded when the microalgae were exposed to the blue/red light, leading to 0.8 g/L standing dry biomass. Also, although lipid and carbohydrate productions were stimulated under other illumination conditions, the advanced biomass production achieved by blue/red light resulted in the highest lipid and carbohydrate productions. As confirmed by the kinetic models, the results obtained in this study revealed that the light absorbed by the photosynthetic pigments of N. salina could be manipulated to not only control the microalgae growth, but also its biological activities, including carbohydrate and lipid productions. Therefore, a two‐stage process would be recommended for lipid and carbohydrate production by N. salina.
On the seismic loss estimation of integrated performance‐based designed buildings
Authors: Shahnazaryan Davit , O'Reilly Gerard J. , Monteiro Ricardo 
Published: March 2022

AbstractPerformance‐based earthquake engineering (PBEE) is a probabilistic framework developed to improve seismic risk decision‐making, characterising building performance in terms of metrics such as casualties, economic losses and anticipated downtime. Building upon PBEE, expected annual loss (EAL) and collapse safety expressed in terms of mean annual frequency of collapse (MAFC) have been recently proposed as fundamental objectives within an integrated performance‐based seismic design (IPBSD) framework. This article, following the parametric investigations conducted, proposes a refined design loss curve and demonstrates the capabilities of IPBSD to target a certain MAFC and limit EAL through its application to several reinforced concrete case‐study buildings. The performance was evaluated using both incremental dynamic analysis and a storey‐based loss assessment procedure to estimate MAFC and EAL of risk‐targeted designs, respectively. The agreement and consistency of design solutions and intended performance objectives were then checked to demonstrate the validity of the IPBSD framework, with MAFC being effectively targeted and the EAL limited as initially foreseen by the method. Further scrutiny of the results highlighted the validity of the assumptions made in the IPBSD framework and shed further light on the pertinent sources of economic losses, namely the ones deriving from structural and non‐structural elements, when designing buildings, in addition to influential parameters like initial period range and the influence of design engineering demand parameter profiles. This is seen as part of the next‐generation risk‐targeted and loss‐driven design approaches in line with modern PBEE requirements.