bluuebunny/crossref_metadata_2025_split huggingface dataset:
Navigating PFAS Treatment With GAC and Ion Exchange
Authors: Brown Douglas , LeBlanc Alan 
Published: September 2022

Key TakeawaysThe concentration and composition of per‐ and polyfluoroalkyl substances (PFAS) in source water and treated water goals are the main drivers affecting PFAS management.Separately or together, granular activated carbon and ion exchange media are effective treatment options when trying to minimize PFAS in finished water.Requirements for ultimate disposal or destruction of PFAS and process residuals significantly affect operating costs, which in turn play a critical role in treatment process selection.
Development of a New Crosslinked Highly Conductive Hybrid Electrolyte based on Polyetherdiamine, Diphenylmethane Diisocyanate and Organosilanes for Efficient Lithium‐Metal Battery
Authors: Saikia Diganta , Deka Juti Rani , Zeng Yu‐Hao , Chen Yi‐Ching , Kao Hsien‐Ming , Yang Yung‐Chin 
Published: September 2022

AbstractIn this study, a new crosslinked organic‐inorganic hybrid polymer electrolyte membrane is developed by first reacting polyetherdiamine with diphenylmethane diisocyanate, followed by addition of organosilane precursors 3‐(glycidyloxypropyl) trimethoxysilane and 2‐[methoxy(polyethyleneoxy) propyl] trimethoxysilane and LiClO4 salt. Various characterization methods are employed to probe the crystallinity behavior, morphology, ionic interactions, thermal stability, architectural durability and dynamic performance of the hybrid solid polymer electrolyte (HSPE) membranes. Among the electrolytes, the HSPE membrane with [EO]/[Li] ratio of 32 delivers the excellent ionic conductivity value of 1.2×10−4 S cm−1 at 30 °C. When the hybrid membrane without salt is plasticized with various electrolyte solvents, the ionic conductivity enhances significantly to values in the range of 1.2 to 1.8×10−3 S cm−1 at 30 °C. The lithium metal battery (LMB) assembled with the gel polymer electrolyte (GPE), lithium anode and LiFePO4 cathode provides excellent rate and cycle performances. The LMB delivers very stable discharge capacity of 121.1 mAh g−1 after 150 cycles at the rate of 0.1 C with 97.6 % capacity holding compared to first cycle and exhibits above 99 % Coulombic efficiency values. The present crosslinked hybrid polymer electrolytes are potentially promising for the future development of high performance lithium‐metal batteries.
Sustainability assessment of a decentralized green diesel production in small‐scale biorefineries
Authors: Salvador Guilherme V. , Salim Vera Maria M. , Toniolo Fabio S. 
Published: September 2022

AbstractIn this study, three scales of a biofuel‐driven biorefinery were evaluated in techno‐economic, environmental and geospatial terms for green diesel production from macauba oil. The results show that the relative capital expenditure on the small scale is four times higher than that on the large scale, being significantly affected by the hydrogen facilities. However, coproducts, tax deductions for family farming and carbon credits can sustain the small‐scale production of green diesel. The carbon footprint of the green diesel is lower than that of commercial biofuels. Finally, the geospatial analysis applied in Brazil reveals that macauba cultivation with low land‐use impact can be implemented near small‐scale biorefineries for local consumer markets. Therefore, the feasibility of the small scale depends on coproducts, public policies, decentralized hydrogen production and catalysts for low‐hydrogen demand routes. This biorefinery concept can decentralize the biofuel sector and make use of several types of biomasses besides macauba, generating socio‐economic and environmental gains. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Simulation of collective pursuit‐evasion behavior with runtime situational awareness
Authors: Yu Zhenjing , Tan Junyin , Li Sheng 
Published: September 2022

AbstractWe present a simulation method of pursuit‐evasion behaviors between different herds with runtime situational awareness. We model the collective movement of predators and prey in the hunting process based on an improved Boid model and the finite state machine involving multiple perception factors about the situations. Taking wolves hunting caribous as an example, our method not only simulates the collective behavior, but also realizes individual intelligent behaviors consistent with the observations. We conducted intensive experiments, and the results show that our method can simulate more realistic pursuit‐evasion behavior under different testing scenarios with a variety of parameters. Our method can be easily transferred to the theoretical study of collective behaviors of other herds.
Lipase‐Catalysed Enzymatic Kinetic Resolution of Aromatic Morita‐Baylis‐Hillman Derivatives by Hydrolysis and Transesterification
Authors: Mathebula Nompumelelo P. , Sheldon Roger A. , Bode Moira L. 
Published: September 2022

AbstractAcylated Morita‐Baylis‐Hillman (MBH) adducts were synthesised and subjected to enzymatic kinetic resolution (EKR) by hydrolysis employing various lipase enzymes: from P. fluorescens, P. cepacia (PCL), C. antarctica A (CAL−A), C. antarctica B (CAL−B) and Novozyme 435. In a number of instances enantiopure Morita‐Baylis‐Hillman acetates or butyrates and their corresponding hydrolysed MBH adducts were obtained with ee values of >90 %, at ca. 50 % conversion, corresponding to enantiomeric ratio (E) values of >200. Enantioselective transesterification reactions on MBH adducts was achieved using acyl anhydrides in THF or the greener organic solvent 2‐MeTHF in the presence of CAL−A. This is the first report of successful lipase‐catalysed EKR of aromatic MBH adducts by transesterification in organic medium.
Predictive performance of J‐Calc‐CTO score for guidewire crossing through chronic total occlusion lesions within 30 minutes: J‐CTO score modified by computed tomography coronary angiography
Authors: Honda Yohsuke , Yamawaki Masahiro , Mori Shinsuke , Tsutsumi Masakazu , Makino Kenji , Chisiki Toshiki , Shirai Shigemitsu , Mizusawa Masafumi , Kobayashi Norihiro , Ito Yoshiaki 
Published: September 2022

AbstractThe original J‐CTO score predicts the difficulty of percutaneous coronary intervention (PCI) for chronic total occlusion (CTO) lesions, but the grade of calcification has not been fully evaluated. We examined 137 patients (141 CTO lesions) who underwent coronary computed tomography angiography (CTA) pre‐PCI between October 2016 and October 2021. They were randomly divided into derivation (n = 94) and validation (n = 47) groups. The degree and distribution of calcification in the occluded segment were assessed using CTA. The calcified index was defined as calcium volume divided by the length of the occluded segment. We created the J‐Calc‐CTO score consisting of calcification parameters associated with 30‐min wire crossing in the derivation group. The validity of the J‐Calc‐CTO score was compared with that of the original J‐CTO score using c‐statistics. The procedural success rate was 96%, and 30‐min wire crossing during the procedure was achieved in 29%. Dense calcification (calcified‐index >12) (odds ratio [OR]: 4.63; 95% confidence interval [CI]: 1.24–22.2; p = 0.04) and calcification in the center of the lumen (OR: 7.25; 95% CI: 1.48–32.1; p = 0.02) were independently associated with 30‐min wire crossing as variables evaluated using CTA. The J‐Calc‐CTO score was created by adding 1 point to the two parameters in place of “calcification” in the original J‐CTO score. The J‐Calc‐CTO score showed a higher predictive value of 30‐min wire crossing than the J‐CTO score in the derivation (c‐statistics; 0.836 vs. 0.670; p > 0.01) and validation groups (c‐statistics; 0.879 vs. 0.767, p > 0.01). The degree and distribution of calcification evaluated using CTA refined the predictive value of the original J‐CTO score for 30‐min wire crossing.
Piggyback mounting for stent and valve deployment during percutaneous pulmonary valve implantation
Authors: Zablah Jenny E. , Døhlen Gaute , Ystgaard Martin B. , Morgan Gareth J. 
Published: September 2022

AbstractObjectivesWe report our experience in simultaneously implanting multiple stents and valves mounted on a single balloon before and during transcatheter pulmonary valve placement.BackgroundHeterogeneity and complexity of the right ventricular outflow tract (RVOT) may complicate stent deployment when preparing a landing zone for transcatheter pulmonary valve implantation.MethodsRetrospective analysis of patients from Children's Hospital of Colorado, USA; and Oslo University Hospital, Norway, undergoing transcatheter pulmonary valve replacement that had at least two stents mounted on a single balloon, deployed in the RVOT.ResultsOver a 42‐month period, a total of 50 subjects from the two centers met inclusion criteria for the study. Subjects were predominantly male (58%), and the median age was 17 years (4–78 years). In six subjects (12%), there was need for prestenting with use of the double or triple stent piggyback technique. Forty subjects (80%) had a Melody ™ TPV implanted. In 45 cases (90%), one or more stents were mounted over the pulmonary valve using its delivery system, either the Ensemble for the Melody™ TPV or the Edwards Commander for the SAPIEN 3 THV. Thirty‐seven subjects (74%) had one stent mounted and eight subjects (16%) had two stents mounted over the pulmonary valve for simultaneous deployment. No complications related to this technique were reported.ConclusionsThe piggyback technique aims to simplify and facilitate adequate conduit preparation and valve insertion by minimizing manipulation across the outflow tract and decreasing the risk of stent distortion, misalignment, and embolization.
Functional Liquid Crystal Elastomers Based on Dynamic Covalent Chemistry
Authors: Valenzuela Cristian , Chen Yuanhao , Wang Ling , Feng Wei 
Published: September 2022

AbstractThe marriage of liquid crystal elastomers with dynamic covalent chemistry can be a new paradigm for the development of dynamic and intelligent polymers with versatile functionalities, which is of paramount significance for many emerging applications such as adaptive optics, soft robotics, bioinspired camouflage, 3D/4D printing technology and beyond. Read more in the Review by Wang, Feng et al. (10.1002/chem.202201957)
Electrochemical Dehydrogenative C−H Aminomethylation of Imidazopyridines and Related Heterocycles
Authors: Huang Raolin , Patureau Frederic W. 
Published: September 2022

AbstractA facile and environmentally friendly electrochemical protocol is herein reported for the C(sp2)−C(sp3) cross dehydrogenative coupling between imidazopyridines and N,N‐dimethylanilines. The broad functional group compatibility includes halogens, ester, alcohol, sulfone as well as thiophene. This methodology is also suitable for benzo[d]imidazo[2,1‐b]thiazole, thiazoimidazole and tetrahydroisoquinoline, and can be scaled up to 5 mmol. Mechanistic insights are discussed.
Two Novel Three‐Dimensional Tetraphenylethylene‐Based Rare Earth MOFs with Ultra‐High Proton Conductivity and Performance Stability
Authors: Wang Shuyu , Zhao Lijia , Sun Hanxu , Wu Yuanyuan , Wang Ruidong , Zhang Suoshu , Du Lin , Zhao Qi‐Hua 
Published: September 2022

AbstractIn this work, the two example rare earth‐based metal‐organic frameworks (LaIII‐based MOFs), Eu‐ETTB and Gd‐ETTB, were obtained by self‐assembly. Both materials showed extremely high proton conductivity, with the proton conductivity of Eu‐ETTB being 1.53×10−2 S cm−1 at 98 % relative humidity (RH) and 85 °C and that of Gd‐ETTB being 2.63×10−2 S cm−1 at 98 % RH and 75 °C. This was almost the best performance observed for three‐dimensional porous MOFs without post‐synthetic modification and was based on milder conditions than for most materials. Furthermore, cycle test experiments and continuous work tests showed that both materials had excellent performance both in terms of stability and durability. Water vapor adsorption experiments showed that a large number of water molecules are adsorbed the hydrogen‐bond network's being rebuilt by the adsorbed water molecules in the pore channel and thus optimizing the channels for proton transfer explained the MOF's high performance.
Influence of Sulfur Atoms on TADF Properties from Through‐Space Charge Transfer Excited States
Authors: Zhang Danwen , Jiang Chenglin , Wen Zhenhua , Feng Xingyu , Li Kai 
Published: September 2022

AbstractThe harnessing of heavy atom effect of chalcogen elements offers a way for boosting the thermally activated delayed fluorescence (TADF) of purely organic luminescent materials that can harvest triplet excitons. However, the conformational and electronic variations induced by the heavy and large atoms may also have adverse effects on the TADF properties. Herein, the design, synthesis, and structures of a new type of through‐space charge transfer (TSCT) emitters containing benzothiazino[2,3,4‐kl]phenothiazine (DPTZ) as the donor unit are reported. The influences of S atoms on the emission properties have been systematically investigated by means of theoretical simulations, electrochemical and spectroscopic studies. Although the presence of π‐stacking interactions and calculated spin‐orbit coupling (SOC) values are beneficial for TSCT‐TADF properties, the triplet TSCT states are uplifted to above the locally excited (LE) state of the acceptor moieties. As a result, the new emitters display longer delayed fluorescence lifetimes (τDF) of 255.0–114.3 μs and lower PLQYs of 45–61 % in comparison with the O‐containing congeners (τDF=26.9–6.8 μs; PLQYs=74–71 %). This work highlights that a full consideration of various effects is essential when making use of heavy chalcogen atoms for the design of TADF emitters.
Dynamic Timing Control of Molecular Photoluminescent Systems
Authors: Zong Zezhou , Zhang Qi , Qu Da‐Hui 
Published: September 2022

AbstractDynamic control of molecular photoluminescence offers chemical solutions to designing functional emissive materials. Although stimuli‐switchable molecular luminescent systems are well established, how to encode these dynamic emissive systems with a “timing” feature, that is, time‐dependent luminescent properties, remains challenging. This Concept aims to summarize the design principles of dynamic timing molecular photoluminescent systems by discussing the state‐of‐the‐art of this topic and the shaping of fabrication strategies at both the molecular and supramolecular levels. An outlook and perspectives are given to outline the future opportunities and challenges in the rational design and potential applications of these smart emissive systems.
Mechanistic and Kinetic Investigations of ON/OFF (Photo)Switchable Binding of Carbon Monoxide by Chromium(0), Molybdenum(0) and Tungsten(0) Carbonyl Complexes with a Pyridyl‐Mesoionic Carbene Ligand
Authors: Boden Pit J. , Di Martino‐Fumo Patrick , Bens Tobias , Steiger Sophie T. , Marhöfer Daniel , Niedner‐Schatteburg Gereon , Sarkar Biprajit 
Published: September 2022

AbstractInvited for the cover of this issue are Gereon Niedner‐Schatteburg, Biprajit Sarkar and co‐worker at TU Kaiserslautern and the University of Stuttgart. The image depicts the selective dissociation of an axial CO from a metal complex. Read the full text of the article at 10.1002/chem.202201038.
Antimalarial and Anticancer Activity Evaluation of Bridged Ozonides, Aminoperoxides, and Tetraoxanes
Authors: Coghi Paolo , Yaremenko Ivan A. , Prommana Parichat , Wu Jia Ning , Zhang Rui Long , Ng Jerome P. L. , Belyakova Yulia Yu. , Law Betty Yuen Kwan , Radulov Peter S. , Uthaipibull Chairat , Wong Vincent Kam Wai , Terent'ev Alexander O. 
Published: September 2022

AbstractBridged aminoperoxides, for the first time, were investigated for the in vitro antimalarial activity against the chloroquine‐resistant Plasmodium falciparum strain K1 and for their cytotoxic activities against immortalized human normal liver (LO2) and lung (BEAS‐2B) cell lines as well as human liver (HepG2) and lung (A549) cancer cell lines. Aminoperoxides exhibit good cytotoxicity against lung A549 cancer cell line. Synthetic ozonides were shown to have high activity against the chloroquine‐resistant P. falciparum. A cyclic voltammetry study of peroxides was performed, and most of the compounds did not show a direct correlation in oxidative capacity‐activity. Peroxides were analyzed for ROS production to understand their mechanism of action. However, none of the compounds has an impact on ROS generation, suggesting that ozonides induce apoptosis in HepG2 cells through ROS‐independent dysfunction pathway.
Effect of Meal Timings and Meal Content on the AUC0‐12h of Mycophenolic Acid: A Simulation Study
Authors: Qian Lixuan , Jiao Zheng , Zhong Mingkang 
Published: September 2022

AbstractMeal timings and content related to gallbladder emptying in the enterohepatic circulation are important for explaining the high variability in mycophenolic acid exposure. The limited sampling strategy (LSS) was established to estimate the area under the plasma concentration–time curve from time 0 to 12 hours (AUC0‐12h) of mycophenolic acid in therapeutic drug monitoring. The aim of this study is to investigate the effect of meal timings and content on the AUC0‐12h of mycophenolic acid and to assess the influence of meals on LSS. A mycophenolic acid pharmacokinetic model with a mechanism‐based enterohepatic circulation process was employed to perform simulations under various assumed meal scenarios. The simulations were compared to evaluate the effect of meal timings and meal content on mycophenolic acid AUC0‐12h. Monte Carlo simulations were performed using the meal parameter with the greatest impact on mycophenolic acid AUC0‐12h as a variable. The corresponding LSS equations were established, and the predictive performance was assessed. Both the meal timings and meal content affected the mycophenolic acid AUC0‐12h, and the postdose fasting period had the greatest impact. The predictive performance of the LSS is sensitive to the postdose fasting period. Therefore, meal timings may improve the estimation of mycophenolic acid AUC0‐12h and the efficacy of therapeutic drug monitoring.
Self‐Transportation of Superparamagnetic Droplets on a Magnetic Gradient Slippery Surface with On/Off Sliding Controllability
Authors: Hu Dongdong , Lai Hua , Liu Yuyan , Luo Xin , Song Yingbin , Zhang Dongjie , Fan Zhimin , Xie Zhimin , Cheng Zhongjun 
Published: September 2022

AbstractRecently, research about droplet self‐transportation on slippery surfaces has become a hotspot. However, to achieve on/off sliding control during the self‐transportation process is still difficult. Herein, we report a magnetic slippery surface, and demonstrate on/off sliding control during the self‐transportation of superparamagnetic droplets. The surface is prepared through integrating a substrate that has a gradient magnetic region with a layer of paraffin infused hydrophobic SiO2 nanoparticles. On the surface, a superparamagnetic droplet is pinned at room temperature (about 25 °C), while it can self‐transport directionally as the temperature is increased to about 70 °C. When the temperature is cooled down again, the droplet would return to the pinned state, indicating that on/off sliding control during the self‐transportation process can be achieved. Furthermore, based on the excellent controllability, controllable coalescence of two droplets from opposite direction is displayed, demonstrating its potential application in numerous areas.
Plasma biomarkers predict cognitive trajectories in an ethnoracially and clinically diverse cohort: Mediation with hippocampal volume
Authors: Sapkota Shraddha , Erickson Kelsey , Harvey Danielle , Tomaszewski‐Farias Sarah E. , Olichney John M. , Johnson David K. , Dugger Brittany N. , Mungas Dan M. , Fletcher Evan , Maillard Pauline , Seshadri Sudha , Satizabal Claudia L. , Kautz Tiffany , Parent Danielle , Tracy Russell P. , Maezawa Izumi , Jin Lee‐Way , DeCarli Charles 
Published: September 2022

AbstractIntroductionWe examine whether the association between key plasma biomarkers (amyloid β [aβ] 42/40, total tau (t‐tau), neurofilament light [NfL]) and cognitive trajectories (executive function [EF] and episodic memory [EM]) is mediated through neurodegeneration.MethodsAll participants were recruited from the University of California, Davis‐Alzheimer's Disease Research Center (n = 473; baseline age range = 49—95 years, 60% women). We applied an accelerated longitudinal design to test latent growth models for EF and EM, and path and mediation analyses. Age was centered at 75 years, and all models were adjusted for sex, education, and ethnicity.ResultsHV differentially mediated the association aβ 42/40 and NfL on EF and EM level and change. Hippocampal volume (HV) did not mediate the association between t‐tau and cognitive performance.DiscussionNeurodegeneration as represented with HV selectively mediates the association between key non‐invasive plasma biomarkers and cognitive trajectories in an ethnoracially and clinically diverse community‐based sample.
Informed Consent for Placebo‐Controlled Trials: Do Ethics and Science Conflict?
Authors: Feldman Hope A. , Feldman James A. , Miller Charles C. , Walsh Garrett , Tyson Jon E. 
Published: September 2022

ABSTRACTThe use of a placebo has been considered the best method for controlling bias in a prospective randomized clinical trial and provides the most rigorous test of treatment efficacy for evaluating a medical therapy. Placebos commonly produce clinically important effects particularly in studies where the primary outcomes are subjective. Yet the potential beneficial or harmful effects of placebos are often not addressed in designing a clinical trial, calculating the sample size, seeking consent, or interpreting clinical trial results. In this manuscript, we use an actual study to indicate three approaches that might be considered in seeking informed consent for placebo‐controlled trials, and we explore the fundamental ethical and scientific complexities involved with each.
Trade‐off between plant resistance and tolerance to herbivory: Mechanical defenses outweigh chemical defenses
Authors: Salgado‐Luarte Cristian , González‐Teuber Marcia , Madriaza Karina , Gianoli Ernesto 
Published: September 2022

AbstractPlant resistance includes mechanical and chemical defenses that reduce herbivory, whereas plant tolerance reduces the fitness impact of herbivory. Because defenses are costly and investing in both resistance and tolerance may be superfluous, trade‐offs among them are expected. In forest ecosystems, the mechanical strengthening of leaves is linked both to shade adaptation and antiherbivore defenses, but it also compromises resource uptake, therefore limiting regrowth following damage, suggesting a trade‐off between mechanical defenses and tolerance. We tested for the resistance–tolerance trade‐off across 11 common tree species in a temperate rainforest and explored mechanistic explanations by measuring chemical and mechanical defenses. Herbivory damage was negatively associated with leaf toughness and fiber content, whereas there was no significant relationship between herbivory and secondary metabolites (flavonols, gallic acid, tannins, and terpenoids). We detected a resistance–tolerance trade‐off, as expected. We found a negative relationship between mechanical defenses and tolerance, estimated as the survival ratio between experimentally damaged and undamaged seedlings. Tolerance and secondary metabolites showed no significant association. Results suggest that selective forces other than herbivory acting on defensive traits can favor a resistance–tolerance trade‐off. Therefore, plant adaptation to contrasting light environments may contribute to the evolution of resistance–tolerance trade‐offs.