bluuebunny/crossref_metadata_2025_split huggingface dataset:
Finite‐time observability of probabilistic Boolean control networks
Authors: Pan Qinyao , Zhong Jie , Lin Lin , Li Bowen , Liu Xiaoxu 
Published: January 2022

AbstractIn this paper, the finite‐time observability (FO) of probabilistic Boolean control networks (PBCNs) based on set reachability and parallel extension is investigated. Under algebraic state space representation of PBCNs, finite‐time set reachability (FSR), finite‐time single input sequence set reachability (FSSSR), finite‐time arbitrary input sequence set reachability (FASSR), as well as finite‐time output feedback set reachability (FOSR) are addressed, where some efficient criteria are proposed. In the second part of this paper, several types of FO are provided, which can be converted to the corresponding FSR based on the parallel extension technique. Consequently, the obtained results for FSR are utilized to deal with FO. Finally, two examples including a biological network are given to demonstrate the theoretical results.
Biomass‐Derived Hierarchically Porous (Nitrogen, Phosphorus) Co‐Doped SiOx/C Composite Nanosheet Architectures for Superior Lithium Storage and Ultra‐Long Cycle Performance
Authors: Song Luting , Zhao Tingqiao , Tan Xinghua , Mao Dongdong , Su Sai , Fan Zhengwei , Chu Weiguo 
Published: January 2022

AbstractBiomasses receive much attention as carbon sources for anodes of high‐energy lithium‐ion batteries and cathodes of lithium‐sulfur batteries due to their low costs, easy availability and potentially high capacities which unfortunately deliver unsatisfactory performances normally. However, biomasses used as silicon instead of carbon‐dominated sources have never been touched before. Here, we report a facile preparation of nitrogen and phosphorus heteroatoms co‐doped hierarchically porous and cross‐linked SiOx/C composite nanosheet architectures from catkins without the introduction of alien Si (N/P‐SiOx/C‐NSs) using chemical exfoliation and treatments. This unique structure composed of novel multiple‐phase composites is revealed to show superior fast kinetics and ultra‐long cycle life with about 340 mAh g−1 and almost no capacity decay after 10000 cycles at 10 A g−1, far beyond those of conventional carbon and SiOx‐based anode materials. The superior performance is closely related to excellent electronic conduction arising from the cross‐linkage architecture, well‐graphitized carbon and uniform co‐doping of nitrogen and phosphorus, rapid ionic transport kinetics from rich hierarchical pores, and outstanding stability from the rigid nanosheet networks. This study sets a precedent of catkins as silicon instead of conventional carbon‐only sources for anode materials, which can largely enhance the role of biomasses in energy storage.
Crosslinked Polymer‐Brush Electrolytes: An Approach to Safe All‐Solid‐State Lithium Metal Batteries at Room Temperature
Authors: Ji Xiaoyu , Li Shimei , Cao Mengxue , Liang Ruiqi , Xiao Lin‐Lin , Yue Kan , Liu Shaohong , Zhou Xingui , Guo Zi‐Hao 
Published: January 2022

AbstractInvited for this month's cover picture is the group of Zi‐Hao Guo from South China University of Technology, Guangzhou, China. The cover picture demonstrates a room‐temperature lithium metal battery enabled by all‐solid‐state organic polymer electrolytes with crosslinked short‐brush architecture, and the future world powered by next‐generation high‐energy solid‐state batteries. Read the full text of the Research Article at 10.1002/batt.202100319.
LC‐HRMS‐based targeted metabolomics for high‐throughput and quantitative analysis of 21 growth inhibition‐related metabolites in Chinese hamster ovary cell fed‐batch cultures
Authors: Lai Zijuan , Choudhury Feroza K. , Tang Danming , Liang Xiaorong , Dean Brian , Misaghi Shahram , Sangaraju Dewakar 
Published: January 2022

AbstractChinese hamster ovary (CHO) cells have been widely used in the biopharmaceutical industry for production of therapeutic proteins. CHO cells in fed‐batch cultures produce various amino acid–derived intermediate metabolites. These small molecule metabolic byproducts have proven to be critical to cell growth, culture performance, and, more interestingly, antibody drug productivity. Herein, we developed an LC‐HRMS‐based targeted metabolomics approach for comprehensive quantification of total 21 growth inhibition‐related metabolites generated from 14 different amino acids in CHO cell fed‐batch cultures. High throughput derivatization procedures, matrix‐matched calibration curves, stable isotope‐labeled internal standards, and accurate mass full MS scan were utilized to achieve our goal for a wide range of metabolite screening as well as validity and reliability of metabolite quantification. We further present a novel analytical strategy for extending the assay's dynamic range by utilizing naturally occurring isotope M + 1 ion as a quantification analog in the circumstances where the principal M ion is beyond its calibration range. The integrated method was qualified for selectivity, sensitivity, linearity, accuracy, precision, isotope analysis, and other analytical aspects to demonstrate assay robustness. We then applied this metabolomics approach to characterize metabolites of interest in a CHO cell‐based monoclonal antibody (mAb) production process with fed‐batch bioreactor culture mode. Absolute quantification combined with multivariate statistical analysis illustrated that our target analytes derived from amino acids, especially from branched‐chain amino acids, closely correlated with cell viability and significantly differentiated cellular stages in production process.
Li/graphene oxide primary battery system and mechanism
Authors: Kornilov Denis , Penki Tirupathi Rao , Cheglakov Andrey , Aurbach Doron 
Published: January 2022

AbstractA novel type of Li/graphene oxide (Li/GO) battery based on a spontaneous redox reaction between Li metal and GO cathode is introduced as an alternative viable primary battery system. Here, we present an efficient synthesis of GO by the modified Hummers method and focus on a comprehensive study of the reduction mechanism. The Li/GO battery was thoroughly analyzed by various physical and electrochemical methods. GO rich in oxygen‐bearing functional groups on graphene layers provided lithium storage sites and delivered a high discharge capacity of around 720 mAh/g at 12 mA/g. Products formed on the surface during reduction were analyzed, and a mechanism was proposed. The results uncovered the reasons underlying the improved electrochemical properties and the contribution of the irreversible capacity of reduced GO in graphene‐based composite electrode materials for metal‐ion batteries. The Li/GO concept is expected to shed light on the design of similar M/GO batteries based on other active metal anodes (e.g., M = Na, Mg, Al, Zn).
Preparation of Nanocatalysts Using Deposition Precipitation with Urea: Mechanism, Advantages and Results
Authors: Chrouda Amani , Mahmoud Ali Ahmed Shazalia , Babiker Elamin Manahil 
Published: January 2022

AbstractThe main works carried out on precipitation deposition with urea (DPU) are summarized. This method is widely applied and considered as excellent for the preparation of catalysts. It proved to be the optimum technique, e.g., in view of deposition yield, total reduced particle size, high particle distribution, and metal‐support interaction. The influence of several parameters on the DPU process, such as the effect of temperature during deposition, maturation time, annealing manner of the final powder, metal and the urea concentrations and others, are discussed. The main steps of the DPU, the preparation of monometallic catalysts by this variant, and the bimetallic catalysts obtained by co‐deposition precipitation with urea (CO‐DPU) are described.
Reduction of radiation exposure during transcatheter edge‐to‐edge mitral valve repair
Authors: Paulus Michael G. , Meindl Christine , Hamerle Michael , Schach Christian , Maier Lars S. , Debl Kurt , Birner Christoph , Unsöld Bernhard 
Published: January 2022

AbstractBackgroundTranscatheter mitral valve repair is an increasingly used therapy for mitral regurgitation which requires fluoroscopic guidance. Limiting radiation exposure during lengthy procedures is important for both patient and operator safety. This study aimed to investigate radiation dose during contemporary use of MitraClip implantation and the effects of a dose reduction program.MethodsA total of 115 patients who underwent MitraClip implantation were prospectively enrolled in a single‐center observational study. During the inclusion period, our institution adopted a radiation dose reduction program, comprising lowering of fluoroscopy pulse rate and image target dose. The first 58 patients were treated with conventional fluoroscopy settings, while the following 57 patients underwent the procedure with the newly implemented low dose protocol.ResultsRadiation dose area product significantly decreased after introduction of the low dose protocol (693 [366–1231] vs. 2265 [1517–3914] cGy·cm2, p < 0.001). After correcting for fluoroscopy time, gender and body mass index, the low dose protocol emerged as a strong negative predictor of radiation dose (p < 0.001), reducing dose area product by 64% (95% confidence interval [57–70]). Device time, device success, and procedural safety did not differ between the normal dose and low dose group. Furthermore, the low dose protocol was not associated with an increased incidence of a combined endpoint consisting of death, repeat intervention, or heart surgery during 12 months follow‐up.ConclusionReduction of radiation exposure during transcatheter mitral valve repair by 64% is feasible without affecting procedural success or safety.
Impact of inferior vena cava entry characteristics on tricuspid annular access during transcatheter interventions
Authors: Ranard Lauren S. , Vahl Torsten P. , Chung Christine J. , Sadri Shirin , Khalique Omar K. , Hamid Nadira , Nazif Tamim , George Isaac , Ng Vivian , Patel Amisha , Rezende Carolina P. , Reisman Mark , Latib Azeem , Hausleiter Jörg , Sorajja Paul , Bapat Vinayak N. , Tang Gilbert H. L. , Davidson Charles J. , Zahr Firas , Makkar Raj , Fam Neil P. , Granada Juan F. , Leon Martin B. , Hahn Rebecca T. , Kodali Susheel 
Published: January 2022

AbstractObjectivesThe purpose of this study was to characterize the anatomic relationship between the inferior vena cava (IVC) and tricuspid annulus (TA) and its potential impact on the performance of transcatheter TV interventions.BackgroundTranscatheter tricuspid valve (TV) interventions are emerging as a therapeutic alternative for the treatment of severe, symptomatic tricuspid regurgitation (TR). Progression of TR is associated with right heart dilatation. These anatomic changes may distort the IVC–TA relationship and impact successful implantation of transcatheter devices.MethodsFifty patients who presented with symptomatic TR for consideration of transcatheter TV therapy with an available CT were included in the study. Comprehensive transesophageal echocardiogram and CT analyses were performed to assess the right‐sided cardiac chambers, TA and IVC–TA relationship.ResultsThe mean age of the study cohort was 78.4 ± 8.9 years. Torrential TR was present in 54% (n = 27). There was considerable variation in the short axis mid‐IVC to mid‐TA offset (SAXMID 18.2 ± 7.9 mm, range 4.7–42.1 mm).ConclusionsThe IVC‐to‐TA relationship exhibits significant variability in patients with symptomatic TR. CT analysis of the tricuspid anatomy, including the relationship to the surrounding structures and the IVC, is essential for planning transcatheter TV interventions. Further studies are needed to define whether the IVC‐to‐TA relationship is a predictor of technical success in the context of specific transcatheter delivery systems.
A case series of myocardial infarction in SARS‐CoV‐2‐infected patients: Same complication, different outcomes
Authors: Alizadehasl Azin , Eslami Samira , Vakili Kimia , Habibi Khorasani Shirin , Haghazali Mehrdad , khalilipur Ehsan 
Published: January 2022

AbstractThrombosis is frequently observed in COVID‐19, especially in critically ill patients. Management of such life‐threatening conditions is of high importance in the context of the current pandemic. Herein, we provide a case series of myocardial infarction in the clinical evolution of COVID‐19, emphasizing its importance and implications on the cardiovascular system.
CO2 Hydrogenation to Methanol over Cd4/TiO2 Catalyst: Insight into Multifunctional Interface
Authors: Li Guanna , Meeprasert Jittima , Wang Jijie , Li Can , Pidko Evgeny A. 
Published: January 2022

AbstractSupported metal catalysts have shown to be efficient for CO2 conversion due to their multifunctionality and high stability. Herein, we have combined density functional theory calculations with microkinetic modeling to investigate the catalytic reaction mechanisms of CO2 hydrogenation to CH3OH over a recently reported catalyst of Cd4/TiO2. Calculations reveal that the metal‐oxide interface is the active center for CO2 hydrogenation and methanol formation via the formate pathway dominates over the reverse water‐gas shift (RWGS) pathway. Microkinetic modeling demonstrated that formate species on the surface of Cd4/TiO2 is the relevant intermediate for the production of CH3OH, and CH2O# formation is the rate‐determining step. These findings demonstrate the crucial role of the Cd‐TiO2 interface for controlling the CO2 reduction reactivity and CH3OH selectivity.
Efficacy and safety of same‐day discharge after atrial fibrillation ablation: A systematic review and meta‐analysis
Authors: Rashedi Sina , Tavolinejad Hamed , Kazemian Sina , Mardani Mahta , Masoudi Maryam , Masoudkabir Farzad , Haghjoo Majid 
Published: January 2022

AbstractConventionally, patients have been admitted overnight after atrial fibrillation (AF) catheter ablation. Several centers have recently adopted a same‐day discharge (SDD) protocol for patients undergoing AF catheter ablation. We aimed to systematically review the current evidence for the safety and efficacy of SDD after AF catheter ablation. A systematic search was performed in PubMed, Embase, Scopus, Web of Science, and the Cochrane library until August 21, 2021. The risk of bias was assessed with the “Methodological Index for Non‐Randomized Studies” (MINORS). The pooled efficacy rate of SDD protocol (defined as the proportion of patients discharged the same day of ablation among the patients who were planned for SDD) was calculated. Meanwhile, pooled major complication rates and early readmission or emergency department (ED) visit rates were evaluated in successful and planned SDD groups separately. Overall, 12 observational studies consisting of 18,065 catheter ablations were included, among which 7320 (40.52%) were discharged the same‐day after ablation. The pooled efficacy was 90.3% (95% confidence interval [CI] [82.7–96.0]). The major complication rates were 1.1% (95%CI [0.5–1.9]), and 0.7% (95% CI [0.0–3.1]) in planned SDD and successful SDD groups, respectively. In addition, readmission/ED visit rate were 3.0% (95%CI [0.9–6.1]), and 3.1% (95% CI [0.8–6.5]) in the same groups. There were no significant differences between planned SDD and overnight groups with respect to major complication rate (risk ratio = 0.70, 95%CI [0.35–1.42], p‐value = .369). The available data indicates that SDD after AF ablation is safe and efficient. Further prospective and randomized studies are warranted to elucidate the safety of SDD after AF ablation and develop a standardized SDD protocol.
Mass Spectrometric Assays Reveal Discrepancies in Inhibition Profiles for the SARS‐CoV‐2 Papain‐Like Protease
Authors: Brewitz Lennart , Kamps Jos J. A. G. , Lukacik Petra , Strain‐Damerell Claire , Zhao Yilin , Tumber Anthony , Malla Tika R. , Orville Allen M. , Walsh Martin A. , Schofield Christopher J. 
Published: January 2022

AbstractThe two SARS‐CoV‐2 proteases, i. e. the main protease (Mpro) and the papain‐like protease (PLpro), which hydrolyze the viral polypeptide chain giving functional non‐structural proteins, are essential for viral replication and are medicinal chemistry targets. We report a high‐throughput mass spectrometry (MS)‐based assay which directly monitors PLpro catalysis in vitro. The assay was applied to investigate the effect of reported small‐molecule PLpro inhibitors and selected Mpro inhibitors on PLpro catalysis. The results reveal that some, but not all, PLpro inhibitor potencies differ substantially from those obtained using fluorescence‐based assays. Some substrate‐competing Mpro inhibitors, notably PF‐07321332 (nirmatrelvir) which is in clinical development, do not inhibit PLpro. Less selective Mpro inhibitors, e. g. auranofin, inhibit PLpro, highlighting the potential for dual PLpro/Mpro inhibition. MS‐based PLpro assays, which are orthogonal to widely employed fluorescence‐based assays, are of utility in validating inhibitor potencies, especially for inhibitors operating by non‐covalent mechanisms.
High‐throughput and High‐speed Absorbance Measurements in Microfluidic Droplets using Hyperspectral Imaging
Authors: Mekki‐Berrada Flore , Xie Jiaxun , Khan Saif A. 
Published: January 2022

AbstractThe recent progress of machine learning and microfluidics in the chemical and biological sciences has motivated the development of new online techniques to interrogate the (bio)chemical contents within moving droplets. To accelerate the optical characterization of new materials and chemical reactions, we combine a line‐scan hyperspectral imaging system with a droplet‐based microfluidic reactor. We demonstrate the performance of this platform on a model chemistry – silver nanoparticle synthesis. The platform can image the spectral signature of ∼400 individual droplets in only 15 s, with droplet flow speeds exceeding 4 cm/s in the reaction tube. After correction of the keystone and smile effects on the hyperspectral images, the absorbance spectra are extracted from the droplets with an accuracy comparable to industrial spectrophotometers. The time evolution of the UV/Vis absorbance spectra during the reactive synthesis can be tracked either by scanning all the droplets present in the reaction tube or by following a subset of the droplet ensemble at frame rates up to 92 fps. This high‐throughput and high‐speed platform is particularly interesting for screening large parameter spaces and imaging fast reactions with a high resolution, for eventual coupling with advanced machine learning techniques to infer kinetic models and obtain detailed mechanistic insights.
Multi‐objective location‐allocation‐routing problem of perishable multi‐product supply chain with direct shipment and open routing possibilities under sustainability
Authors: Aghaei Fishani Behzad , Mahmoodirad Ali , Niroomand Sadegh , Fallah Mohammad 
Published: January 2022

AbstractIn this study, a multi‐objective formulation is proposed for designing a supply chain of perishable products including suppliers, plants, distributors, and customers under sustainable development. In addition to the studies of the literature, direct shipment between producers and customers and also alternative products possibility are allowed. In this problem, the objectives, such as facilities establishment costs, transportation costs, negative environmental impacts, and social impact (fixed and variable employment rates) are optimized simultaneously. As in real situations, most of the transportation activities of such supply chain are performed by hiring transportation devices, the open routing logic is applied to form the traveling path of each hired transportation device. Furthermore, the possibility of direct shipment from the plants to the customers is considered in order to increase profitability of the plants. Because of the NP‐hard nature of the supply chain design problems, some meta‐heuristic solution approaches of the literature are modified to multi‐objective form and applied to solve the problem. Several test problems from small to large sizes are generated randomly to evaluate the meta‐heuristic algorithms. As a result, among the proposed algorithms, the multi‐objective gray wolf optimizer (MGWO) performs better than others by considering four well‐known evaluation metrics. Finally, a case study from perishable products supply chain of Iran is solved and analyzed to show the applicability of the proposed problem.
Getting Started with the IDG KMC Datasets and Tools
Authors: Kropiwnicki Eryk , Binder Jessica L. , Yang Jeremy J. , Holmes Jayme , Lachmann Alexander , Clarke Daniel J. B. , Sheils Timothy , Kelleher Keith J. , Metzger Vincent T. , Bologa Cristian G. , Oprea Tudor I. , Ma'ayan Avi 
Published: January 2022

AbstractThe Illuminating the Druggable Genome (IDG) consortium is a National Institutes of Health (NIH) Common Fund program designed to enhance our knowledge of under‐studied proteins, more specifically, proteins unannotated within the three most commonly drug‐targeted protein families: G‐protein coupled receptors, ion channels, and protein kinases. Since 2014, the IDG Knowledge Management Center (IDG‐KMC) has generated several open‐access datasets and resources that jointly serve as a highly translational machine‐learning‐ready knowledgebase focused on human protein‐coding genes and their products. The goal of the IDG‐KMC is to develop comprehensive integrated knowledge for the druggable genome to illuminate the uncharacterized or poorly annotated portion of the druggable genome. The tools derived from the IDG‐KMC provide either user‐friendly visualizations or ways to impute the knowledge about potential targets using machine learning strategies. In the following protocols, we describe how to use each web‐based tool to accelerate illumination in under‐studied proteins. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Interacting with the Pharos user interfaceBasic Protocol 2: Accessing the data in HarmonizomeBasic Protocol 3: The ARCHS4 resourceBasic Protocol 4: Making predictions about gene function with PrismExpBasic Protocol 5: Using Geneshot to illuminate knowledge about under‐studied targetsBasic Protocol 6: Exploring under‐studied targets with TIN‐XBasic Protocol 7: Interacting with the DrugCentral user interfaceBasic Protocol 8: Estimating Anti‐SARS‐CoV‐2 activities with DrugCentral REDIAL‐2020Basic Protocol 9: Drug Set Enrichment Analysis using DrugmonizomeBasic Protocol 10: The Drugmonizome‐ML AppyterBasic Protocol 11: The Harmonizome‐ML AppyterBasic Protocol 12: GWAS target illumination with TIGABasic Protocol 13: Prioritizing kinases for lists of proteins and phosphoproteins with KEA3Basic Protocol 14: Converting PubMed searches to drug sets with the DrugShot Appyter
Integrating Biocatalysis with Viscous Deep Eutectic Solvents in Lab‐On‐A‐Chip Microreactors
Authors: Guajardo Nadia , Domínguez de María Pablo , Canales Roberto 
Published: January 2022

AbstractThe combination of deep eutectic solvents (DESs, ChCl/glycerol 1 : 2) with buffer (up to 15 % v/v) leads to solvent mixtures that exert viscosities below 25 mPa s−1 at 45 °C while keeping their non‐aqueous nature. This enables the setup of efficient enzymatic esterifications, which can also be applied in different continuous systems. Following those premises, the use of microreactors in biocatalytic reactions was explored using (low‐viscous) DES‐buffer media, showing that reactions could be performed efficiently. Under non‐optimized conditions, the microreactor devices led to specific productivities considerably higher than those observed in the batch reactor (14 vs. 0.24 mgproduct min−1 mgbiocat−1) at the same enzyme loadings and conversion of 6 % (to assure a fair comparison). Looking beyond, the combination of several microchannels (e. g., in scale‐out fashion) with DES‐water media may lead to powerful, sustainable, and efficient tools for industrial synthesis.