bluuebunny/crossref_metadata_2025_split huggingface dataset:
Printed 384‐Well Microtiter Plate on Paper for Fluorescent Chemosensor Arrays in Food Analysis
Authors: Lyu Xiaojun , Sasaki Yui , Ohshiro Kohei , Tang Wei , Yuan Yousi , Minami Tsuyoshi 
Published: May 2022

AbstractWe propose a printed 384‐well microtiter paper‐based fluorescent chemosensor array device (384‐well microtiter PCAD) to simultaneously categorize and discriminate saccharides and sulfur‐containing amino acids for food analysis. The 384‐well microtiter PCAD requiring 1 μL/4 mm2 of each well can allow high‐throughput sensing. The device embedded with self‐assembled fluorescence chemosensors displayed a fingerprint‐like response pattern for targets, the image of which was rapidly captured by a portable digital camera. Indeed, the paper‐based chemosensor array system combined with imaging analysis and pattern recognition techniques not only successfully categorized saccharides and sulfur‐containing amino acids but also classified mono‐ and disaccharide groups. Furthermore, the quantitative detectability of the printed device was revealed by a spike and recovery test for fructose and glutathione in a diluted freshly made tomato juice. We believe that the 384‐well microtiter PCAD using the imaging analysis system will be a powerful sensor for multi‐analytes at several categorized groups in real samples.
Adaptive neural output feedback finite‐time command filtered backstepping control for nonlinear systems with full‐state constraints
Authors: Zhang Qi , Zhao Lin 
Published: May 2022

AbstractIn this paper, an adaptive neural finite‐time control method via barrier Lyapunov function, command filtered backstepping, and output feedback is proposed to solve the tracking problem of uncertain high‐order nonlinear systems with full‐state constraints and input saturation. By utilizing the neural network (NN) to approximate unknown nonlinear functions, the finite‐time command filters are used to filtering the virtual control signals and get the intermediate control signals in a finite time in the backstepping process. Because there are errors between the output of finite‐time command filters and the virtual control signals, the error compensation signals are added to eliminate the influence of filtering errors. Based on the proposed control scheme, the states of the system can be constrained in the predetermined region, all signals in the system are bounded in finite time, and the tracking error can converge to the desired region in finite time. At last, a simulation example is given to show the effectiveness of the proposed control method.
A Bayesian hierarchical model for estimating national PFAS drinking water occurrence
Authors: Cadwallader Adam , Greene Ashley , Holsinger Hannah , Lan Alexis , Messner Michael , Simic Melissa , Albert Ryan 
Published: May 2022

AbstractPer‐ and polyfluoroalkyl substances (PFAS) in U.S. drinking water are currently a significant topic of public health concern. Data collection efforts have been undertaken to better understand PFAS occurrence, though limited data observed above reporting limits leaves considerable uncertainty. This work presents a hierarchical Bayesian model developed to estimate national PFAS occurrence in drinking water with a simple model structure and assumptions. Here the model is limited to the occurrence of perfluorooctanoic acid (PFOA), perfluorooctanesulfonic acid (PFOS), perfluorohexanesulfonic acid (PFHxS), and perfluoroheptanoic acid (PFHpA). This model estimates national PFAS exposure while capturing uncertainty, provides information on system‐level PFAS co‐occurrence, and creates an expandable foundation for generating future national estimates of PFAS occurrence. National estimates based on currently available data and model assumptions indicated population‐weighted mean exposure to the sum of mean PFOS, PFOA, PFHpA, and PFHxS around 4.7–5.2 ppt while all four chemicals generally had moderate‐to‐strong correlations among system‐level means.
CO Hydrogenation to Methanol over Cu/MgO Catalysts and Their Synthesis from Amorphous Magnesian Georgeite Precursors
Authors: Behrendt Gereon , Mockenhaupt Benjamin , Prinz Nils , Zobel Mirijam , Ras Erik‐Jan , Behrens Malte 
Published: May 2022

AbstractThe synthesis of Mg‐substituted copper hydroxycarbonates by constant‐pH co‐precipitation with subsequent ageing of the precipitate has been studied in detail. This allowed the retrieval of crystalline magnesian malachite samples, which showed a “radical‐sign‐shaped” pH drop and the blue/green color change during ageing that is well‐known from the analogous Cu/Zn system. The crystallization of Cu‐rich samples has been studied elaborately by means of powder diffraction, pair distribution function (PDF), and infrared spectroscopy, thus elucidating the ageing chemistry of Cu,Mg hydroxycarbonates in general. It was found that up to 17 % Mg can be incorporated into the crystalline malachite using a synthesis route comparable to that established for Cu/ZnO catalysts, but with drastically elongated precipitate ageing times. For higher Mg contents, a step‐like pH drop was observed instead, and an amorphous variant of the hydroxycarbonate, referred to as “magnesian georgeite”, could be isolated. From such a Mg‐rich sample (Cu/Mg 70 : 30 at. %), a Cu/MgO catalyst has been prepared that shows high activity and good stability in CO hydrogenation to methanol over 800 hrs. time on stream.
Opening of the Diamondoid Cage upon Ionization Probed by Infrared Spectra of the Amantadine Cation Solvated by Ar, N2, and H2O
Authors: George Martin Andreas Robert , Dopfer Otto 
Published: May 2022

AbstractRadical cations of diamondoids, a fundamental class of very stable cyclic hydrocarbon molecules, play an important role in their functionalization reactions and the chemistry of the interstellar medium. Herein, we characterize the structure, energy, and intermolecular interaction of clusters of the amantadine radical cation (Ama+, 1‐aminoadamantane) with solvent molecules of different interaction strength by infrared photodissociation (IRPD) spectroscopy of mass‐selected Ama+Ln clusters, with L=Ar (n≤3) and L=N2 and H2O (n=1), and dispersion‐corrected density functional theory calculations (B3LYP−D3/cc‐pVTZ). Three isomers of Ama+ generated by electron ionization are identified by the vibrational properties of their rather different NH2 groups. The ligands bind preferentially to the acidic NH2 protons, and the strength of the NH…L ionic H‐bonds are probed by the solvation‐induced red‐shifts in the NH stretch modes. The three Ama+ isomers include the most abundant canonical cage isomer (I) produced by vertical ionization, which is separated by appreciable barriers from two bicyclic distonic iminium ions obtained from cage‐opening (primary radical II) and subsequent 1,2 H‐shift (tertiary radical III), the latter of which is the global minimum on the Ama+ potential energy surface. The effect of solvation on the energetics of the potential energy profile revealed by the calculations is consistent with the observed relative abundance of the three isomers. Comparison to the adamantane cation indicates that substitution of H by the electron‐donating NH2 group substantially lowers the barriers for the isomerization reaction.
Triplet‐triplet Annihilation Dynamics of Naphthalene
Authors: Gudem Mahesh , Kowalewski Markus 
Published: May 2022

AbstractTriplet‐triplet annihilation (TTA) is a spin‐allowed conversion of two triplet states into one singlet excited state, which provides an efficient route to generate a photon of higher frequency than the incident light. Multiple energy transfer steps between absorbing (sensitizer) and emitting (annihilator) molecular species are involved in the TTA based photon upconversion process. TTA compounds have recently been studied for solar energy applications, even though the maximum upconversion efficiency of 50 % is yet to be achieved. With the aid of quantum calculations and based on a few key requirements, several design principles have been established to develop the well‐functioning annihilators. However, a complete molecular level understanding of triplet fusion dynamics is still missing. In this work, we have employed multi‐reference electronic structure methods along with quantum dynamics to obtain a detailed and fundamental understanding of TTA mechanism in naphthalene. Our results suggest that the TTA process in naphthalene is mediated by conical intersections. In addition, we have explored the triplet fusion dynamics under the influence of strong light‐matter coupling and found an increase of the TTA based upconversion efficiency.
Photo‐Induced Halogen‐Atom Transfer: Generation of Halide Radicals for Selective Hydrohalogenation Reactions
Authors: Geniller Lilian , Taillefer Marc , Jaroschik Florian , Prieto Alexis 
Published: May 2022

AbstractThe first photo‐mediated process enabling the generation of halide radicals by Halogen‐Atom Transfer (XAT) is described. Contrary to radical transformations involving XAT reactivity, which exploit stable carbon radicals, this unique approach uses 1,2‐dihaloethanes for the generation of unstable carbon radicals by XAT. These transient radicals then undergo β‐scission with release of ethylene and formation of more stable halide radicals which have been used in selective hydrohalogenations of a large number of unsaturated hydrocarbons, including Michael acceptors, unactivated alkenes and alkynes. This hydrohalogenation is tolerant of a broad range of functionalities and is believed to proceed through a radical‐chain manifold that propagates by the use of silane derivatives.
Discovery of CECR2 Bromodomain Inhibitors with High Selectivities over BPTF Bromodomain
Authors: Lu Haibo , Zu Shijia , Duan Zhe , Feng Yueyao , Wang Jie , Ma Jingyi , Li Qi , Chen Dongying , Li Bo , Chen Kaixian , Luo Cheng , Lin Jin , Lu Tian , Lin Hua 
Published: May 2022

Comprehensive SummaryCat's eye syndrome chromosome candidate 2 bromodomain (CECR2 BRD) and Bromodomain PHD transcription factor bromodomain (BPTF BRD) are the same subfamily proteins, both of which are highly conserved in sequence and binding pockets. Challenges remain in the development of small molecules to inhibit one of the two bromodomains (BRDs), in view of each subtype may possess unique physiological and pathological functions. There is still a lack of effective selective inhibitors of CECR2 BRD, which makes it difficult to fully understand the pathogenesis of CECR2‐BRD in diseases, especially cancers. Herein, we report our efforts to discover a series of highly selective CECR2 BRD inhibitors over BPTF BRD based on TP‐248. Structure‐based molecular optimization led to the discovery of DC‐CEi‐26, whose IC50 for CECR2 BRD was 96.7 ± 14.9 nmol/L and selectivity was up to 590 × over BPTF BRD. DC‐CEi‐26 showed weak potencies for other classic BRDs in different subfamily, which may serve as a chemical probe for CECR2 BRD biological research.
Sinomenine Derivatives: Synthesis, Antitumor Activity, and Apoptotic Induction in MCF‐7 Cells via IL‐6/PI3K/Akt/NF‐κB Signaling Pathway
Authors: Zhu Zuchang , Zhou Huixian , Chen Fenglian , Deng Jianxiong , Yin Lina , He Baoen , Hu Qingzhong , Wang Tao 
Published: May 2022

AbstractNatural products have been widely considered as an important resource for new drugs or lead compounds. Sinomenine (SIN) and its derivatives exert antitumor activity via regulation of inflammatory mediators. For these reasons we synthesized three series of SIN derivatives (compounds 4 a–i, 7 a–c and 11 a–c) as antitumor agents from this natural product. All compounds were prepared by modification at the C1 and C4 positions of the A ring, the C4 position of the A ring, and the C6 and C7 positions of the C ring, respectively. All the derivatives were subjected to in vitro antitumor activity against HeLa, A549, HepG‐2, MCF‐7 and HT‐29 cell lines. To observe the apoptotic induction of SIN derivatives and its mechanism, fluorescent staining and western blot assays were carried out for active compound against MCF‐7. Based on the screening results, most of the SIN derivatives showed better antitumor activity than SIN. Some of them were found to possess broad‐spectrum antitumor activity. Most notably, 11 c exhibited obvious antitumor activity in both cell lines with IC50 values less than 11 μM. Besides, 11 c induced apoptosis of MCF‐7 in a dose‐dependent manner. Western blot assay demonstrated that 11 c inhibited IL‐6‐mediated activation of PI3K/Akt pathway. A docking study revealed that 11 c had stronger binding interaction with the residues of IL‐6 than SIN. All these results indicate that 11 c may be a potential anti‐breast cancer agent by directly targeting IL‐6.
Shock Formation and Vorticity Creation for 3d Euler
Authors: Buckmaster Tristan , Shkoller Steve , Vicol Vlad 
Published: May 2022

AbstractWe analyze the shock formation process for the 3D nonisentropic Euler equations with the ideal gas law, in which sound waves interact with entropy waves to produce vorticity. Building on our theory for isentropic flows in [3, 4], we give a constructive proof of shock formation from smooth initial data. Specifically, we prove that there exist smooth solutions to the nonisentropic Euler equations which form a generic stable shock with explicitly computable blowup time, location, and direction. This is achieved by establishing the asymptotic stability of a generic shock profile in modulated self‐similar variables, controlling the interaction of wave families via: (i) pointwise bounds along Lagrangian trajectories, (ii) geometric vorticity structure, and (iii) high‐order energy estimates in Sobolev spaces. © 2022 Wiley Periodicals LLC.
Measuring Cytoskeletal Mechanical Fluctuations and Rheology with Active Micropost Arrays
Authors: Shi Yu , Sivarajan Shankar , Crocker John C. , Reich Daniel H. 
Published: May 2022

AbstractThe dynamics of the cellular actomyosin cytoskeleton are crucial to many aspects of cellular function. Here, we describe techniques that employ active micropost array detectors (AMPADs) to measure cytoskeletal rheology and mechanical force fluctuations. The AMPADS are arrays of flexible poly(dimethylsiloxane) (PDMS) microposts with magnetic nanowires embedded in a subset of microposts to enable actuation of those posts via an externally applied magnetic field. Techniques are described to track the magnetic microposts’ motion with nanometer precision at up to 100 video frames per second to measure the local cellular rheology at well‐defined positions. Application of these high‐precision tracking techniques to the full array of microposts in contact with a cell also enables mapping of the cytoskeletal mechanical fluctuation dynamics with high spatial and temporal resolution. This article describes (1) the fabrication of magnetic micropost arrays, (2) measurement protocols for both local rheology and cytoskeletal force fluctuation mapping, and (3) special‐purpose software routines to reduce and analyze these data. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Fabrication of magnetic micropost arraysBasic Protocol 2: Data acquisition for cellular force fluctuations on non‐magnetic micropost arraysBasic Protocol 3: Data acquisition for local cellular rheology measurements with magnetic micropostsBasic Protocol 4: Data reduction: determining microposts’ motionBasic Protocol 5: Data analysis: determining local rheology from magnetic micropostsBasic Protocol 6: Data analysis for force fluctuation measurementsSupport Protocol 1: Fabrication of magnetic Ni nanowires by electrodepositionSupport Protocol 2: Configuring Streampix for magnetic rheology measurements
Review of cool‐season turfgrass water use and requirements: I. Evapotranspiration and responses to deficit irrigation
Authors: Braun Ross C. , Bremer Dale J. , Ebdon Jeffrey Scott , Fry Jack D. , Patton Aaron J. 
Published: May 2022

AbstractKnowledge of water use rates and responses to deficit irrigation practices in cool‐season turfgrasses is important, particularly in climates where irrigation is required to maintain turf quality. This is Part I of two companion papers reviewing cool‐season turfgrass water use and requirements. Part I presents the history of early water conservation and quantification methods in turfgrass and summarizes research on cool‐season turfgrass evapotranspiration (ET) and deficit irrigation. Part II summarizes research on cool‐season turfgrass drought resistance completed since 1980. Summaries of research from > 60 experiments related to ET include: measured ET rates in various climates; comparisons of actual ET to estimated ET; crop coefficients; deficit irrigation; and how plant characteristics and management practices influence ET. Summarized daily evapotranspiration (ETc) rates for Agrostis L. spp., fine fescues (Festuca L. spp.), tall fescue (Festuca arundinacea Schreb.), Lolium spp., and Poa spp. were a weighted average ETc and coefficient of variation (CV) of 6.12 (19.0%), 5.52 (16.8%), 7.79 (14.5%), 5.90 (19.9%), and 5.35 (30.2%) mm d–1, respectively, with an overall ETc of 6.25 mm d–1 (26.9%). Average crop coefficients have ranged from 0.85 to 0.95 (0.91 weighted average across species) and vary slightly during growing months. Minimum deficit irrigation replacement levels for acceptable turf quality have ranged from 59 to 74% of ET under different irrigation intervals. Further study is warranted to investigate differences in crop coefficients among cultivars within species, cultural influences, deficit irrigation replacement levels, and to standardize measurement protocol to improve consistency in crop coefficients across future turfgrass experiments.
Fluorescent in‐situ hybridization test performed on cell blocks is useful for establishing germ cell origin of metastatic tumors with unusual clinical presentation
Authors: Satturwar Swati P. , Khader Samer N. , Quiroga‐Garza Gabriela M. 
Published: May 2022

AbstractThe majority of germ cell tumors (GCTs) are characterized by iso‐chromosome 12p (i12p) abnormality. The aim of this study is to review the cytomorphologic features and analyze the utility of i12p fluorescent in‐situ hybridization (FISH) test in diagnosing metastatic GCTs primarily evaluated by cytologic techniques in patients without prior history of GCTs. The laboratory information system was queried over a period of 10 years to search for cases where i12p FISH test was requested on cytology material. FISH test was performed using TelVysion 12p telomeric probe and CEP 12 centromere probe on cell‐blocks. A ratio of 12ptel/CEP12 signal of 1.4 or greater was considered as positive. Patient demographics, clinical presentation, cytopathologic findings, and follow‐up surgical resection data were reviewed and correlated. A total of three cases were identified, all men (age range 31–60 years). Cytologic diagnoses were favor metastatic embryonal carcinoma (Case 1, retroperitoneal fluid FNA), metastatic yolk sac tumor/YST (Case 2, lung mass FNA) and adenocarcinoma, likely representing a somatic‐type malignancy (SM) arising from a preexisting GCT (Case 3, retroperitoneal mass FNA). This limited study demonstrated high sensitivity for detecting i12p abnormality by FISH test performed on cell blocks. The cytomorphology of extra‐gonadal GCTs varies according to the histologic subtype. Sarcomatoid morphology of YST, SM or mixed GCTs further complicates cytology evaluation. FISH test for detection of i12p performed on cell‐blocks is extremely useful in establishing germ cell origin of these metastatic GTCs with unusual cytomorphology and guides management in patients without prior history of GCTs.
In search of ecological determinants of fungal infections: A semi‐field experiment with folivorous moths
Authors: Gielen Robin , Põldmaa Kadri , Tammaru Toomas 
Published: May 2022

AbstractNatural enemies shape the fate of species at both ecological and evolutionary time scales. While the effects of predators, parasitoids, and viruses on insects are well documented, much less is known about the ecological and evolutionary role of entomopathogenic fungi. In particular, it is unclear to which extent may the spatiotemporal distribution patterns of these pathogens create selective pressures on ecological traits of herbivorous insects. In the present study, we reared three lepidopteran species in semi‐natural conditions in a European hemiboreal forest habitat. We studied the probability of the insects to die from fungal infection as a function of insect species, food plant, study site, (manipulated) condition of the larvae, and the phenological phase. The prevalence of entomopathogenic fungi remained low to moderate with the value consistently below 10% across the subsets of the data while as many as 23 fungal species, primarily belonging to the families Cordycipitaceae, Aspergillaceae, and Nectriaceae, were recorded. There were no major differences among the insect species in prevalence of the infections or in the structure of associated fungal assemblages. The family Cordycipitaceae, comprising mainly obligatory entomopathogens, dominated among the pathogens of pupae but not among the pathogens of larvae. Overall, there was evidence for a relatively weak impact of the studied ecological factors on the probability to be infected by a fungal pathogen; there were no effects of food plant, study site, or phenology which would be consistent over the study species and developmental stages of the insects. Nevertheless, when the prevalence of particular fungal taxa was studied, Akanthomyces muscarius was found infecting insects fed with leaves of only one of the food plant, Betula spp. Feeding on a particular plant taxon can thus have specific fitness costs. This demonstrates that fungus‐mediated effects on insect life history traits are possible and deserve attention.
Multiyear monitoring of threatened iconic arboreal mammals in a mid‐elevation conservation reserve in eastern Australia
Authors: Goldingay Ross L. , McHugh Darren , Parkyn Jonathan L. 
Published: May 2022

AbstractMultiyear investigations of population dynamics are fundamental to threatened species conservation. We used multiseason occupancy based on spotlight surveys to investigate dynamic occupancy of the koala and the greater glider over an 8‐year period that encompassed a severe drought in year 6. We combined our occupancy estimates with literature estimates of density to estimate the population sizes of these species within the focal conservation reserve. Both species showed substantial yearly variation in the probability of detection (koala: 0.13–0.24; greater glider: 0.12–0.36). Detection of the koala did not follow any obvious pattern. Low detection of the greater glider coincided with the drought and two subsequent years. We suggest the low detection reflected a decline in abundance. The probability of occupancy of the koala was estimated to be 0.88 (95% CI: 0.75–1.0) in year 8. Autonomous recording units were also used in year 8, enabling an independent occupancy estimate of 0.80 (0.64–0.90). We found no evidence of a drought‐induced decline in the koala. Habitat variables had a weak influence on koala occupancy probabilities. The probability of occupancy of the greater glider changed little over time, from 0.52 (95% CI: 0.24–0.81) to 0.63 (0.42–0.85) in year 8. Modeling suggested that the probability of colonization was positively influenced by the percentage cover of rainforest. Increased cover of these nonbrowse trees may reflect thermal buffering, site productivity, or soil moisture. We estimate that our study reserve is likely to contain >900 adult koalas and >2400 adult greater gliders. These are among some of the first reserve‐wide estimates for these species. Our study reserve can play an important role in the conservation of both species.