bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rapid regulations of metabolic reactions in Escherichia coli via light‐responsive enzyme redistribution
Authors: Huang Zikang , Sun Lize , Lu Genzhe , Liu Hongrui , Zhai Zihan , Feng Site , Gao Ji , Chen Chunyu , Qing Chuheng , Fang Meng , Chen Bowen , Fu Jiale , Wang Xuan , Chen Guo‐Qiang 
Published: June 2022

AbstractProtein‐based condensates have been proposed to accelerate biochemical reactions by enriching reactants and enzymes simultaneously. Here, we engineered those condensates into a photo‐activated switch in Escherichia coli (PhASE) to regulate enzymatic reactions via tuning the spatial correlation of enzymes and substrates. In this system, scaffold proteins undergo liquid–liquid phase separation (LLPS) to form light‐responsive compartments. Tethered with a light‐responsive protein, enzymes of interest (EOIs) can be recruited by those compartments from cytosol within only a few seconds after a pulse of light induction and fully released in 15 min. Furthermore, we managed to enrich small molecular substrates simultaneously with enzymes in the compartments and achieved the acceleration of luciferin and catechol oxidation by 2.3‐ and 1.6‐folds, respectively. We also developed a quantitative model to guide the further optimization of this demixed regulatory system. Our tool can thus be used to study the rapid redistribution of proteins, and reversibly regulate enzymatic reactions in E. coli.
Real‐world implications of nonbiological factors with staging, clinical management, and prognostic prediction in pancreatic ductal adenocarcinoma
Authors: Wang Chao , Chen Haoda , Deng Xiaxing , Xu Wei , Shen Baiyong 
Published: June 2022

AbstractBackgroundThe American Joint Committee on Cancer (AJCC) tumor‐node‐metastasis (TNM) staging system focuses on traditional biological factors (BFs). The present study incorporates nonbiological factors (NBFs) into the AJCC‐TNM staging system in terms of the advanced clinical management and prognostic‐prediction accuracy of pancreatic ductal adenocarcinoma (PDAC).MethodsEight thousand three hundred and thirty eligible patients with PDAC were obtained from Surveillance, Epidemiology, and End Results database between January 1, 2011, and December 31, 2015. Multivariate Cox proportional hazards regression analysis and Kaplan–Meier curves were used to testify the feasibility of cancer‐specific survival (CSS) prediction based on TNM‐NBF stages.ResultsThe large population‐based study demonstrated that NBFs (insurance status, marital status, county‐level median household income, and unemployment) were significant prognostic indicators (p < 0.005), and multivariate Cox regression analysis demonstrated that the NBF1 stage carried a 29.4% increased risk of cancer‐specific mortality than NBF0 stage (p < 0.001). The concordance index of TNM‐NBF stage was 0.755 (95% confidence interval: 0.740–0.769).ConclusionsThe novel NBF stage was independently associated with CSS of PDAC. In addition, combining TNM with the NBF stage could provide better clinical management and prognostic‐prediction accuracy.
Seismic evacuation simulation in a dynamic indoor environment
Authors: Chu Yifan , Liu Zhen , Liu Tingting , Zhao Yumeng , Chai Yanjie 
Published: June 2022

AbstractDuring an earthquake, interior nonstructural components of a building will be damaged. The damaged objects will obstruct pedestrians' evacuation routes and increase casualties. But this issue has received scant attention in evacuation simulation research. This paper focuses on this issue and proposes an indoor seismic evacuation model to simulate crowd evacuation in a dynamic environment. A physical model of nonstructural components is presented to simulate the dynamics of the indoor scenario. The flow field algorithm is constructed to guide pedestrian's avoidance behaviors globally to reflect the impact of environmental changes on indoor crowd path selection, and a modified social force model is built to simulate the joint influence of seismic forces and the environment on pedestrian motion states. The results of the experiments shows that the proposed model can generate realistic evacuation scene and rational evacuation routes in the earthquake.
Vision sensor‐based SLAM problem for small UAVs in dynamic indoor environments
Authors: Zhou Lanfeng , Kong Mingyue , Liu Ziwei , Li Ling 
Published: June 2022

AbstractIn recent years, with the rapid development of artificial intelligence, machine vision and other related technologies, there has been a demand for higher levels of intelligence in UAVs. There are many excellent SLAM systems available, but most of them assume that their working environment is static. When there are dynamic objects in the environment the localization and mapping accuracy of the SLAM system is reduced, and it can even cause its tracking to fail. To solve this problem. In this paper, we propose a target detection‐based SLAM algorithm for real‐time operation in crowded dynamic environments. The algorithm removes feature points of dynamic objects from key frames and then constructs a point cloud map of based on the state‐of‐the‐art SLAM system ORB‐SLAM3. Finally, the proposed method is validated and evaluated on multiple dynamic datasets and real environments. The results show that the algorithm in this paper outperforms other visual SLAM algorithms in terms of localization and map building accuracy in more highly dynamic datasets, while guaranteeing performance.
Physical and microstructural quality of extruded snacks made from blends of barley and green lentil flours
Authors: Li Xiang , Guillermic Reine‐Marie , Nadimi Mohammad , Paliwal Jitendra , Koksel Filiz 
Published: June 2022

AbstractBackground and objectivesMost puffed snacks in the market are made from refined cereal flours which allow greater expansion and better texture but are nutritionally inferior as they lack protein and dietary fiber. Whole barley and green lentil flours at several blending ratios were extruded as a function of temperature and moisture content to optimize the physical and microstructural quality of fiber and protein‐enriched snacks.FindingsHigh extrusion temperature significantly improved overall expansion and texture. The effects of feed moisture depended on the blending ratio, parallel with the total protein and dietary fiber content of extrudates. Barley:green lentil of 45:55 showed the highest extrudate expansion (~1.9 mm/mm on average) and lowest hardness (~29 N on average), followed by the blend 60:40. X‐ray microtomography showed that this blending ratio also produced a larger mean cell size (~1.6 mm), lower mean wall thickness (~0.3 mm), and higher overall connectivity between cells.ConclusionBarley and green lentil when blended at the ratios of 45:55 and 60:40, and extruded at higher temperature resulted in optimal extrudate physical and microstructural properties including higher expansion and crispness, thinner cell walls, reduced hardness, and crunchiness.Significance and noveltyBlending cereal and pulse flours in snack food applications will allow development of fiber and protein‐enriched options that are also texturally and structurally appealing.
Bioinspired Photocatalyzed Organic Synthetic Transformations. The Use of Natural Pigments and Vitamins in Photocatalysis
Authors: Barata‐Vallejo Sebastián , Yerien Damian E. , Postigo Al 
Published: June 2022

AbstractDue to the necessity for more environmentally benign processes in synthetic organic chemistry, and in particular in photocatalysis, a recourse to photocatalysts that are also found in nature and mimic natural processes to accomplish organic transformations is very appealing. Synthetic useful reactions such as oxidations, reductions, carbon‐oxygen, carbon‐carbon and carbon‐sulfur bond formation reactions, and E‐to‐Z geometrical isomerization reactions photocatalyzed by biological natural pigments, vitamins, cofactors, and compounds with antiviral activity will be discussed in this account. Interestingly, due to the remarkable redox properties and triplet energies of some of these catalysts that are found in nature, both electron transfer (ET)‐ and energy transfer (EnT)‐driven photocatalytic processes can be accomplished.
Desorption of Hydrogen from Graphene Induced by Charge Injection
Authors: Schmickler Wolfgang , Santos Elizabeth 
Published: June 2022

AbstractHydrogen adsorbed on a graphene electrode in contact with an aqueous solution is in a metastable state. Here, its desorption induced by a small positive charge pulse was studied by molecular dynamics with a tight binding method based on density functional theory. The efficiency of the code allowed to follow the trajectory of the desorbed particle in detail. Desorption was triggered by an oxygen atom of water, which was attracted to the surface and approached the adsorbed hydrogen. Charge transfer occured, and the hydrogen was attached to the water molecule to form a hydronium ion, which drifted into the solution, changed its solvation and underwent Grotthus steps. The reverse process, adsorption of a proton from the solution, required a pulse with a high negative charge. The reaction was governed by the field right in front of the electrode, and not by the electrode potential. The time that the proton transfer takes is much shorter than the relaxation time of the double layer, so that simulations performed with a constant electrode potential may not be realistic.
Structural and ITC Characterization of Peptide‐Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands
Authors: Gaucher Jean‐François , Reille‐Seroussi Marie , Broussy Sylvain 
Published: June 2022

AbstractMacrocyclization constraints are widely used in the design of protein ligands to stabilize their bioactive conformation and increase their affinities. However, the resulting changes in binding entropy can be puzzling and uncorrelated to affinity gains. Here, the thermodynamic (Isothermal Titration Calorimetry) and structural (X‐ray, NMR and CD) analysis of a complete series of lactam‐bridged peptide ligands of the vascular endothelial growth factor, and their unconstrained analogs are reported. It is shown that differences in thermodynamics arise mainly from the folding energy of the peptide upon binding. The systematic reduction in conformational entropy penalty due to helix pre‐organization can be counterbalanced by an unfavorable vibrational entropy change if the constraints are too rigid. The gain in configurational entropy partially escapes the enthalpy/entropy compensation and leads to an improvement in affinity. The precision of the analytical ITC method makes this study a possible benchmark for constrained peptides optimization.
Synthesis and Characterization of A Stable Extra‐Large‐Pore Zeolite with 15×12×12 Member‐Ring Channels
Authors: Cai Xianshu , Zhao Yue , Zi Wenwen , Jiao Feng , Du Hongbin 
Published: June 2022

AbstractExtra‐large‐pore zeolites have great application potential in various industrial fields, such as oil refinery, fine chemicals and biomass processing. Herein, we report the synthesis of an extra‐large‐pore germanosilicate zeolite (named NUD‐13) by using an easily obtained aromatic organic cation 1,2‐dimethyl‐3‐propyl‐benzimidazolium as organic structure‐directing agents. NUD‐13 possesses a rare 15‐member ring extra‐large‐pore channel intersecting with two elliptical 12‐member ring channels, which is isostructural to germanosilicate zeolite GeZA synthesized by using triphenylsulfonium. The germanium in NUD‐13 can be partially substituted by acid treatment to obtain stable high silica zeolite. In addition, aluminium is added into the framework of NUD‐13 during the post‐synthesis treatment process, which provides a foundation for catalytic application.
A Highly Water‐ and Air‐Stable Iron‐Containing MRI Contrast Agent Sensor for H2O2
Authors: Karbalaei Sana , Franke Alicja , Jordan Aubree , Rose Cayla , Pokkuluri P. Raj , Beyers Ronald J. , Zahl Achim , Ivanović‐Burmazović Ivana , Goldsmith Christian R. 
Published: June 2022

AbstractA highly water‐ and air‐stable Fe(II) complex with the quinol‐containing macrocyclic ligand H4qp4 reacts with H2O2 to yield Fe(III) complexes with less highly chelating forms of the ligand that have either one or two para‐quinones. The reaction increases the T1‐weighted relaxivity over four‐fold, enabling the complex to detect H2O2 using clinical MRI technology. The iron‐containing sensor differs from its recently characterized manganese analog, which also detects H2O2, in that it is the oxidation of the metal center, rather than the ligand, that primarily enhances the relaxivity.
Synthesis of New Morphinan Opioids by TBADT‐Catalyzed Photochemical Functionalization at the Carbon Skeleton**
Authors: Gorbachev Dmitry , Smith Elliot , Argent Stephen P. , Newton Graham N. , Lam Hon Wai 
Published: June 2022

AbstractThe synthesis of new morphinan opioids by the addition of photochemically generated carbon‐centered radicals to substrates containing an enone in the morphinan C‐ring, is described. Using tetrabutylammonium decatungstate (TBADT) as a hydrogen atom transfer photocatalyst, diverse radical donors can be used to prepare a variety of C8‐functionalized morphinan opioids. This work demonstrates the late‐stage modification of complex, highly functionalized substrates.
A multimodel fire detection and alarm system for automobiles using internet of things and machine learning
Authors: Uma S. , Eswari R. 
Published: June 2022

AbstractFire accidents in vehicles lead to the loss of human lives. The fire detection and alarm systems are often error‐prone and respond to nonactual indications of fire presence, known as false alarms. The proposed model detects the fire at the smoldering stage and buzzes an alarm if an actual fire or smoke is detected. This system can achieve this real alarm using multiple internet of things‐based sensors, namely smoke/gas, flame, temperature, and a visualization camera. The visualization camera continuously captures images of the vehicle to check the existence of fire. Machine learning algorithms are executed on the sensor and image dataset to reduce false alarms and achieve high accuracy of results by using various performance metrics.
Exploiting Phase Transitions in Catalysis: Adsorption of CO on doped VO2‐Polymorphs
Authors: Stahl Berenike , Bredow Thomas 
Published: June 2022

AbstractVO2 is well known for its low‐temperature metal‐insulator transition between two phases with tetragonal rutile and monoclinic structure. The adsorption of CO on the two polymorphs of Mo‐doped VO2 is calculated to investigate the effect of a substrate phase change on the adsorption energy. The system is investigated theoretically at density‐functional theory level using a hybrid functional with London dispersion correction. We establish a computational protocol applicable for the study of physisorption on open‐shell transition metal oxides. The main task is to control the spin state of open‐shell slab models used to model adsorption of closed‐shell molecules in order to obtain numerically stable adsorption energies and to reduce spin contamination within the broken‐symmetry unrestricted Kohn‐Sham approximation. Applying this procedure, it is possible to identify the most stable adsorption positions of CO on both phases of VO2. CO adsorbs vertically with the C atom on a surface V atom in the monoclinic phase with an adsorption energy of −56 kJ/mol. The same adsorption position has an adsorption energy of only −46 kJ/mol on the rutile phase. Similar differences were obtained with multireference methods using an embedded cluster model. This effect may inspire experimental strategies exploiting the rutile
monoclinic VO2 phase transition in catalytic processes where CO is formed as product or as an intermediate.
Reliable data communication using post‐quantum encryption in Internet of Everything
Authors: Balaji Ashwin , Dhurandher Sanjay Kumar 
Published: June 2022

SummaryInternet of Everything (IoE) is one of the emerging technologies in the advancement of digital life and innovation. But the major issue that is to be addressed is the security concerns over such an environment, especially in end‐to‐end device communication. The proposed approach primarily focuses on reliable end‐to‐end device communication using post‐quantum location‐aware encryption, aiming to achieve confidentiality and integrity in an Internet of Everything environment. Even though the post‐quantum techniques have shown to be one of the evolving solutions for reliable data communication, but its robustness against the Man‐In‐The‐Middle and Sybil attacks is still a wide‐open subject and undiscovered. Numerous traditional encryption algorithms are now in use, while post‐quantum encryption is being studied and considered as a quantum‐safe substitute. The proposed approach also demonstrates a robust attack model which focuses on communication network threats like namely, Man‐In‐The‐Middle and Sybil attacks intending to evaluate the overall performance of the network by analyzing the performance parameters like, number of nodes in the network, message size, execution time, and memory consumption by the nodes and aiming to achieve an appreciable accuracy in an IoE environment.
Successful treatment of mediastinal pancreatic pseudocyst and pancreatic pleural effusion with endoscopic pancreatic duct drainage: A case report
Authors: Watanabe Shunsuke , Toki Masao , Kambayashi Komei , Kitada Shuichi , Nosaka Takeshi , Ochiai Kazushige , Gondo Koichi , Shibahara Junji , Hisamatsu Tadakazu 
Published: June 2022

AbstractAn 81‐year‐old man with chronic pancreatitis was being treated with a protease inhibitor. He developed an acute exacerbation of chronic pancreatitis and dyspnea. Contrast‐enhanced computed tomography showed disruption of the main pancreatic duct, a cystic lesion connecting the mediastinum to the main pancreatic duct, and left pleural effusion. We diagnosed a pancreatic pseudocyst, mediastinal pancreatic pseudocyst, and pancreatic pleural effusion. Endoscopic retrograde pancreatography showed leakage of contrast medium from the pancreatic body; furthermore, a cystic cavity extending to the mediastinum through a pancreatic duct fistula was visualized. An endoscopic transpapillary nasopancreatic drainage tube was placed in the cystic cavity. Computed tomography showed that the mediastinal pseudocyst and pleural effusion had disappeared. Endoscopic transpapillary pancreatic duct drainage may be useful when a connection between the main pancreatic duct and a mediastinal pseudocyst is confirmed by imaging.
Temporal and spatial changes in benthic invertebrate trophic networks along a taxonomic richness gradient
Authors: Garrison Julie A. , Nordström Marie C. , Albertsson Jan , Nascimento Francisco J. A. 
Published: June 2022

AbstractSpecies interactions underlie most ecosystem functions and are important for understanding ecosystem changes. Representing one type of species interaction, trophic networks were constructed from biodiversity monitoring data and known trophic links to assess how ecosystems have changed over time. The Baltic Sea is subject to many anthropogenic pressures, and low species diversity makes it an ideal candidate for determining how pressures change food webs. In this study, we used benthic monitoring data for 20 years (1980–1989 and 2010–2019) from the Swedish coast of the Baltic Sea and Skagerrak to investigate changes in benthic invertebrate trophic interactions. We constructed food webs and calculated fundamental food web metrics evaluating network horizontal and vertical diversity, as well as stability that were compared over space and time. Our results show that the west coast of Sweden (Skagerrak) suffered a reduction in benthic invertebrate biodiversity by 32% between the 1980s and 2010s, and that the number of links, generality of predators, and vulnerability of prey have been significantly reduced. The other basins (Bothnian Sea, Baltic Proper, and Bornholm Basin) do not show any significant changes in species richness or consistent significant trends in any food web metrics investigated, demonstrating resilience at a lower species diversity. The decreased complexity of the Skagerrak food webs indicates vulnerability to further perturbations and pressures should be limited as much as possible to ensure continued ecosystem functions.
Cystatin C in risk prediction after transcatheter aortic valve replacement: a retrospective analysis
Authors: Kuwabara Kensuke , Zen Kan , Yashige Masaki , Takamatsu Kazuaki , Ito Nobuyasu , Kadoya Yoshito , Yamano Michiyo , Yamano Tetsuhiro , Nakamura Takeshi , Yaku Hitoshi , Matoba Satoaki 
Published: June 2022

AbstractAimsNo study has evaluated the prognostic value of the chronic kidney disease (CKD) classification by cystatin C‐based estimated glomerular filtration rate (eGFR) (CKDCys classification) in patients undergoing transcatheter aortic valve replacement (TAVR). This study aimed to compare the prognostic value of CKDCys classification and CKD classification by creatinine‐based eGFR (CKDCr classification) in risk prediction after TAVR.Methods and resultsWe retrospectively analysed consecutive 219 patients with symptomatic severe aortic stenosis who underwent TAVR at our institute between December 2016 and June 2019. Pre‐operative CKDCr and CKDCys classifications were evaluated for their prognostic value of 2‐year major adverse cardiovascular and cerebrovascular events (MACCE) after TAVR. MACCE was defined as the composite of all‐cause mortality, non‐fatal myocardial infarction, stroke, and rehospitalization for worsening congestive heart failure. Participants had a median age of 86.0 years and were predominantly female (76.9%). In 96.6% of the cases, TAVR was performed using transfemoral access. The median creatinine‐based eGFR (52.85 mL/min/1.73 m2) was higher than the cystatin C‐based eGFR (41.50 mL/min/1.73 m2). Downward reclassification in CKD stages based on eGFRCys was observed in 49.0% of patients. During a median follow‐up period of 575.5 (interquartile range: 367.0–730.0) days, 58 patients presented with MACCE. CKDCys classification, but not CKDCr classification, significantly stratified the risk of 2‐year MACCE in patients after TAVR by log‐rank test (P = 0.003). In multivariate Cox regression analysis, only CKDCys stage 3b [hazard ratio (HR) = 4.37; 95% confidence interval (CI): 1.28–14.91; P = 0.019] and CKDCys stage 4 + 5 (HR = 3.72; 95% CI: 1.06–12.99; P = 0.040) were significant predictors of MACCE after adjustment for potential confounders.ConclusionsThe CKDCys classification could better assess the risk than the CKDCr classification in patients undergoing TAVR. CKDCys stage 3b and stage 4 + 5 correlated with adverse outcomes.
Acute Toxicity of Major Geochemical Ions to Fathead Minnows (Pimephales promelas): Part B—Modeling Ion Toxicity
Authors: Erickson Russell J. , Mount David R. , Highland Terry L. , Hockett J. Russell , Hoff Dale J. , Jenson Correne T. , Norberg-King Teresa J. , Forsman Brandy 
Published: June 2022

Abstract
Mathematical models are presented for the acute median lethal concentrations of major geochemical ions (Na+, K+, Ca2+, Mg2+, Cl−, SO42−, HCO3−/CO32−) to fathead minnows (Pimephales promelas), based on an extensive series of experiments presented in a companion article. Toxicity relationships across different dilution waters, individual salts, and salt mixtures suggest six independent mechanisms of toxicity to consider in modeling efforts, including Mg/Ca-specific toxicity, osmolarity-related toxicity, SO4-specific toxicity, K-specific toxicity, effects of high pH/alkalinity, and a multiple ion-related toxicity at low Ca distinct from the other mechanisms. Models are evaluated using chemical activity-based exposure metrics pertinent to each mechanism, but concentration-based alternative models that are simpler to apply are also addressed. These models are compared to those previously provided for Ceriodaphnia dubia, and various issues regarding their application to risk assessments are discussed. Environ Toxicol Chem 2022;41:2095–2106. © 2022 SETAC. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
Abstract