bluuebunny/crossref_metadata_2025 huggingface dataset:
Trapa natans Husk‐Derived Nanoporous Carbons as Electrode Materials for Sustainable High‐Power Microbial Fuel Cell Supercapacitor Systems
Authors: Hsu Chia-Chieh , Lin Yi-Chu , Lin Yao-Yu , Li Hsin-Tien , Ni Chung-Sheng , Liu Chao-I , Chang Chao-Chin , Lin Liang-Chen , Pan Yung-Tin , Liu Shih-Fu , Liu Tzu-Yin , Chen Han-Yi
Published: December 2021

Microbial fuel cells (MFCs), which convert chemical energy into electricity using microbes, are an emerging sustainable energy technology. However, high costs and low power output limit the advanced development of MFCs. This study utilizes the agricultural waste, Trapa natans husks, to obtain low‐cost nanoporous carbons. The Trapa natans husk‐derived nanoporous carbons (TNHs) are used as electrode materials in Escherichia coli system‐based MFCs. After optimization of both anode and cathode materials for MFCs, a high average power density of 5713 mW m−2 is achieved, which is 1.9 times greater than that of commercial activated carbon. It is shown that TNHs have better bacterial adhesion and electrochemical activities owing to their favorable pore size distribution, suitable functional group, high surface area, and excellent biocompatibility and conductivity. Furthermore, the supercapacitors (SCs) with TNH‐based electrodes are utilized to store the energy generated from MFCs. The SC with TNH‐600 electrodes exhibits a high specific capacitance of 84 F g−1 at a current density of 1 A g−1 after 1000 cycles. This study demonstrates that TNH is a promising electrode material for biofriendly and renewable MFCs, and the MFC‐SC system with TNH electrodes is a high‐power sustainable energy generation and storage device.
Catalytic Halogen‐Exchange Fluorination of 4‐Chlorobenzaldehyde to 4‐Fluorobenzaldehyde, a Greener Process
Authors: Li Xiukai , Yongcai Wu , Lijuan Shi , Zhang Yugen
Published: December 2021

The direct halogen‐exchange fluorination of 4‐chlorobenzaldehyde was studied under solvent‐free and various diphenyl solvents conditions using spray‐dried KF as a fluorinating agent. Aspects influencing the selectivity and yield of product were investigated in detail, including catalysts and solvents selection, reaction conditions optimization, and side product control. We paid more attention to issues from a perspective of industrial process, such as product separation and catalyst/solvent recycling. The reaction works efficiently with tetraphenyl phosphonium bromide as a phase transfer catalyst under solvent free conditions and in diphenyl solvents. Under the optimum reaction conditions, the yield of 4‐fluorobenzaldehyde reached 90% with a selectivity of 98%.
Enantioselective Synthesis of Oxazaborolidines by Palladium‐Catalyzed N−H/B−H Double Activation of 1,2‐Azaborines
Authors: Morita Taiki , Murakami Hiroki , Asawa Yasunobu , Nakamura Hiroyuki
Published: December 2021

A palladium‐catalyzed N−H/B−H double activation of 1,2‐dihydro‐1,2‐benzazaborines proceeded via cycloaddition with vinyl ethylene carbonate to produce polycyclic oxazaborolidines in 31–96 % yield. The key step in this process is the release of molecular hydrogen from a borate intermediate. Using a SPINOL‐derived phosphoramidite as a chiral ligand, chiral oxazaborolidines were synthesized in good to high yields with excellent enantioselectivity (up to 95 % ee). The vinyl group of the resulting oxazaborolidine underwent metathesis, Heck reaction, and Wacker oxidation without affecting the oxazaborolidine framework.
Mesoporosity‐Enabled Selectivity of Mesoporous Palladium‐Based Nanocrystals Catalysts in Semihydrogenation of Alkynes
Authors: Lv Hao , Qin Huaiyu , Sun Mingzi , Jia Fengrui , Huang Bolong , Liu Ben
Published: December 2021

We reported mesoporosity engineering as a general strategy to promote semihydrogenation selectivity of palladium (Pd)‐based nanobundles catalysts. The best mesoporous PdP displayed full conversion, remarkable activity, excellent selectivity, and high stability in semihydrogenation of 1‐phenyl‐1‐propyne, all of which are remarkably better than commercial Lindlar catalysts. Mechanistic investigations ascribed high semihydrogenation selectivity to the continuous crystalline framework and penetrated mesoporous channel of catalysts that weakened the adsorption and interaction capacity of alkenes and thus inhibited over‐hydrogenation of alkenes to industrially unfavorable alkanes. Density functional theory calculations further demonstrated that convex crystalline mesoporosity of nanobundles catalysts electronically optimized the coordination environment of Pd active sites and energetically changed hydrogenation trends, resulting in a superior semihydrogenation selectivity to targeted alkenes.
12b,24b‐Diborahexabenzo[a,c,fg,l,n,qr]pentacene: A Low‐LUMO Boron‐Doped Polycyclic Aromatic Hydrocarbon
Authors: Mützel Carina , Farrell Jeffrey M. , Shoyama Kazutaka , Würthner Frank
Published: December 2021

Herein we devise and execute a new synthesis of a pristine boron‐doped nanographene. Our target boron‐doped nanographene was designed based on DFT calculations to possess a low LUMO energy level and a narrow band gap derived from its precise geometry and B‐doping arrangement. Our synthesis of this target, a doubly B‐doped hexabenzopentacene (B2‐HBP), employs six net C−H borylations of an alkene, comprising consecutive hydroboration/electrophilic borylation/dehydrogenation and BBr3/AlCl3/2,6‐dichloropyridine‐mediated C−H borylation steps. As predicted by our calculations, B2‐HBP absorbs strongly in the visible region and emits in the NIR up to 1150 nm in o‐dichlorobenzene solutions. Furthermore, B2‐HBP possesses a very low LUMO level, showing two reversible reductions at −1.00 V and −1.17 V vs. Fc+/Fc. Our methodology is surprisingly selective despite its implementation of unfunctionalized precursors and offers a new approach to the synthesis of pristine B‐doped polycyclic aromatic hydrocarbons.
Supported σ‐Complexes of Li−C Bonds from Coordination of Monomeric Molecules of LiCH3, LiCH2CH3 and LiC6H5 to Mo≣Mo Bonds
Authors: Pérez‐Jiménez Marina , Campos Jesús , Jover Jesús , Álvarez Santiago , Carmona Ernesto
Published: December 2021

LiCH3 and LiCH2CH3 react with the complex [Mo2(H)2(μ‐AdDipp2)2(thf)2] (1⋅thf) with coordination of two molecules of LiCH2R (R=H, CH3) and formation of complexes [Mo2{μ‐HLi(thf)CH2R}2(AdDipp2)2], 5⋅LiCH3 and 5⋅LiCH2CH3, respectively (AdDipp2=HC(NDipp)2; Dipp=2,6‐iPr2C6H3; thf=C4H8O). Due to steric hindrance, only one molecule of LiC6H5 adds to 1⋅thf generating the complex [Mo2(H){μ‐HLi(thf)C6H5}(μ‐AdDipp2)2], (4⋅LiC6H5). Computational studies disclose the existence of five‐center six‐electron bonding within the H−Mo≣Mo−C−Li metallacycles, with a mostly covalent H−Mo≣Mo−C group and predominantly ionic Li−C and Li−H interactions. However, the latter bonds exhibit non‐negligible covalency, as indicated by X‐ray, computational data and the large one‐bond 6,7Li,1H and 6,7Li,13C NMR coupling constants found for the three‐atom H−Li−C chains. By contrast, the phenyl group in 4⋅LiC6H5 coordinates in an η2 fashion to the lithium atom through the ipso and one of the ortho carbon atoms.
A Heme‐Acquisition Protein Reconstructed with a Cobalt 5‐Oxaporphyrinium Cation and Its Growth‐Inhibition Activity Toward Multidrug‐Resistant Pseudomonas aeruginosa
Authors: Takiguchi Asahi , Sakakibara Erika , Sugimoto Hiroshi , Shoji Osami , Shinokubo Hiroshi
Published: December 2021

Using artificial hemes for the reconstruction of natural heme proteins represents a fascinating approach to enhance the bioactivity of the latter. We report the synthesis of various metal 5‐oxaporphyrinium cations as cofactors, and a cobalt 5‐oxaporphyrinium cation was successfully incorporated into the heme‐acquisition protein (HasA) secreted by Pseudomonas aeruginosa. We hypothesize that the oxaporphyrinium cation strongly binds to the HasA‐specific outer membrane receptor (HasR) due to its cationic charge, which prevents the subsequent acquisition of heme. In fact, the reconstructed HasA inhibited the growth of Pseudomonas aeruginosa and even of multidrug‐resistant P. aeruginosa.
Design of a near‐infrared‐triggered photo/thermal dual‐responsive composite carrier with excellent biocompatibility for controllable drug release
Authors: Tian Mengyuan , Xin Fuhua , Gao Yanjing , Nie Jun , Sun Fang
Published: December 2021

A near‐infrared (NIR)‐triggered photo/thermal dual‐responsive composite carrier (UCNPs‐NG‐PDA) was designed and fabricated by the incorporation of upconversion nanoparticles (UCNPs), coumarin‐based photo/thermal‐responsive nanogel (NG) with uniform particle size (193 nm) and polydopamine (PDA) particles. UCNPs‐NG‐PDA has good photothermal conversion capability because of the introduction of PDA. The light and heat dual‐responsiveness of coumarin‐based nanogels markedly enhances the drug release of UCNPs‐NG‐PDA. Under NIR irradiation for only 20 min, the final cumulative release reaches 79.4% and is much higher than that (58.8%) under UV irradiation. More remarkably, the UCNPs‐NG‐PDA exhibits an excellent biocompatibility and has fascinating application prospects in drug delivery fields.
Balancing load and performance for different failure models
Authors: Finkelstein Maxim , Cha Ji Hwan , Chackraborty Niladri
Published: December 2021

In this article, we discuss an optimal loading for items with lifetimes described by failure models that are popular in reliability and statistics. The obtained results can be relevant, for example, for production/manufacturing systems. The expected productivity and the mission success probability are maximized with respect to the value of a load. It is shown that the optimal load for the considered settings is not necessarily the load that maximizes the production rate. The crucial function in our discussion is the production rate over the load. It is shown that, depending on the model, the optimal load can be equal, smaller or larger than the value of the load that achieves the maximum of this function. The accelerated life and the proportional hazards failure models are considered, as well as the additive hazards model. Illustrative examples confirm our theoretical findings.
Hedging and utility valuation of a defaultable claim driven by Hawkes processes
Authors: Pasricha Puneet , Selvamuthu Dharmaraja , Tardelli Paola
Published: December 2021

This article studies the problem of hedging a defaultable claim via the maximization of the mean value of exponential utility, over a set of admissible strategies. The dynamics of the underlying asset is assumed to be governed by mutually exciting Hawkes processes, which captures the jumps clustering phenomenon observed in the market. The resulting market is incomplete and does not allow perfect replication. Hence, a dynamic programming approach is adopted to characterize the value function as the largest solution to a suitable backward stochastic differential equation (BSDE) with a non‐Lipschitz generator. The value function of the optimal investment problem and of the indifference prices are represented in terms of limits of the sequence of value functions of suitable Lipschitz BSDEs and, further, a result of uniqueness is achieved. Finally, numerical experiments are performed to demonstrate the applicability of the proposed framework and to understand the impact of the jump‐clustering on the values of the claims.
The imperfect fit: Fetal alcohol spectrum disorder as the basis to commit individuals involuntarily as sexually violent predators/persons
Authors: Abbott Brian R.
Published: December 2021

Prenatal alcohol exposure produces a broad range of primary disabilities that lead to adverse life course outcomes in children raised in adverse environments. Inappropriate sexual behaviors are a commonly occurring secondary disability, with a large minority of individuals with fetal alcohol spectrum disorder (FASD) displaying sexual aggression. Adults with FASD who commit repeated criminal sexual acts may be subject to legal proceedings for indefinite involuntary civil confinement as sexually violent predators/persons (SVP) in certain jurisdictions in the United States. Studies about the diagnostic practices among psychologists and psychiatrists retained by states to evaluate individuals as SVP do not recognize FASD as a mental disorder, despite the likelihood that hundreds of individuals petitioned for involuntary commitment suffer from FASD. Establishing an FASD diagnosis may provide exculpatory evidence to refute a government petition that an individual suffers from a mental condition that affects emotional or volitional capacity by predisposing the person to committing criminal sexual behavior. This article provides a framework for identifying, assessing, and deciding whether individuals with the FASD diagnosis suffer from the legally defined mental disorder that is necessary to indefinitely confine individuals as SVP.
Impact of Barrett oesophagus diagnoses and endoscopies on oesophageal cancer survival in the UK: A cohort study
Authors: Offman Judith , Pesola Francesca , Fitzgerald Rebecca C. , Hamilton Willie , Sasieni Peter
Published: December 2021

Background

Current guidelines recommend endoscopic surveillance for Barrett oesophagus (BE), but the value of surveillance is still debated. Using a combination of primary care, secondary care and cancer registry datasets, we examined the impact of a prior BE diagnosis, clinical and risk factors on survival from oesophageal cancer and adenocarcinoma.

Methods

Retrospective cohort study of patients aged 50 and above diagnosed with malignant oesophageal cancer between 1993 and 2014 using Clinical Practice Research Datalink (CPRD). All prior BE diagnoses and endoscopies were identified from CPRD and Hospital Episode Statistics. Histology information was obtained from linked cancer registry data. We used flexible parametric models to estimate excess hazard ratios (EHRs) for relative survival. We simulated the potential impact of lead‐time by adding random lead‐times from a variety of distributions to all those with prior BE.

Results

Among our oesophageal cancer (n = 7503) and adenocarcinoma (n = 1476) cohorts only small percentages, 3.4% and 5.3%, respectively, had a prior BE diagnosis. Two‐year relative survival was better among patients with BE: 48.0% (95% CI 41.9–54.9) compared to 25.2% (24.3–26.2) without. Patients with BE had a better prognosis (EHR = 0.53, 0.41–0.68). Survival was higher even if patients with BE had fewer than two endoscopies (50.0%; 43.6–57.3). A survival benefit was still observed after lead‐time adjustment, with a 20% absolute difference in 2‐year survival using a 5 year mean sojourn time.

Conclusions

Patients with a prior BE diagnosis had a survival advantage. This was not fully explained by surveillance endoscopies.
Fast Charge Transfer Kinetics Enabled by Carbon‐Coated, Heterostructured SnO2/SnSx Arrays for Robust, Flexible Lithium‐Ion Batteries
Authors: Xue Lichun , Chen Feiming , Zhang Zhenbao , Gao Yang , Chen Dengjie
Published: December 2021

Tin (Sn)‐based materials possessing high theoretical capacity have shown great potential for next‐generation lithium‐ion batteries (NGLIBs). Its poor conductivity and severe volume expansion, however, hinder practical applications. Herein, we prepare flexible carbon cloth supported SnO2/SnSx heterostructured arrays coated with carbon (SnO2/SnSx@C) with an easy hydrothermal process and carbonization. The resulting SnO2/SnSx@C electrode is capable of providing high capacity, good rate capability, and long‐term stability. Specifically, SnO2/SnSx@C shows an initial discharge specific capacity of 1898.7 mAh g−1 with Coulombic efficiency of 77.5 % and retains 1047.5 mAh g−1 after 100 cycles at 0.2 A g−1. The superior electrochemical performance of SnO2/SnSx@C is attributed to the well‐established unique structure: (1) the carbon cloth offers a flexible framework that can enhance the integrity of nanostructures and facilitate charge transfer; (2) both experimental and theoretical studies demonstrate that the SnO2/SnSx heterostructure can speed up charge transfer, and this heterostructure as a buffer framework can also mitigate expansion in volume; and (3) carbon arrays are beneficial for preventing the SnO2/SnSx electrode from pulverization and enhancing charge transfer. Our findings clearly indicate that Sn‐based heterostructures are promising for high‐capacity and stable NGLIBs.
Structural, Dielectric and Raman Spectroscopy of La3+–Ni2+–Zn2+ Substituted M‐Type Strontium Hexaferrites
Authors: Musa Ibrahim Murtala , Abdu Yunusa , Mohammed Jibrin , Srivastava Ajeet Kumar
Published: December 2021

In this work, M‐type strontium nanohexaferrites with chemical composition Ba0.8−xSr0.2LaxFe12−x−yNixZnyO19 (x = 0.00, 0.05, 0.10; y = 0.00, 0.08, 0.16) are prepared using sol–gel auto‐combustion technique. The formation of single phase hexagonal ferrites is confirmed from XRD analysis. It also reveals the presence of magnetite and the crystallites sizes are in the range of 21.31–29.91nm. The lattice constants are found to decrease with an increase in cation substitution. The FTIR spectra of the sample show three dominant peaks in the range of 400–600 cm–1 which indicate the formation of the desired hexaferrite structure. The field emission scanning electron microscope images reveal large crystallites with shapes close to the hexagonal platelet‐like whose sizes are nonuniformly distributed. Also, agglomeration is observed due to magnetic interactions between the crystallites. The dielectric constant, dielectric loss, conductivity, and dielectric modulus are analyzed using the Maxwell–Wagner model. Dielectric constant is enhanced at high frequency in the entire sample and reduction of dielectric loss is also observed with further cations substitutions.
Formation of Hierarchical Cobalt Hydroxychloride Nanostructures with Enhanced Performance for Lithium‐Ion Batteries
Authors: Wang G. , Liang J. , Li D. , Li M. , Li L.
Published: December 2021

Layered metal hydroxide salts have attracted considerable attention in various applications due to their superior photoelectric, physical, and chemical properties. Here, a simple in situ growth hydrothermal approach is reported to prepare hierarchical cobalt hydrochloride (Co2(OH)3Cl) microspheres composed of octahedron‐like subunits. Based on the multiple functional triethanolamine and time‐dependent morphology evolution, the formation of the unique sphere structures can be elucidated by a hierarchical self‐assembly of anisotropic nanoparticles. When used as lithium ion battery (LIB) anodes, this Co2(OH)3Cl microsphere shows very large reversible specific capacity (1196 mA h g–1 at 0.2 A g–1), excellent rate capability (720.4 mA h g−1 at 4.0 A g−1), and long‐life stability (802 mA h g–1 with 81.1% retention after 500 cycle tests at 4.0 A g–1). The excellent electrochemical performance is attributed to the improvement of electrical conductivity and fast ionic diffusion in the electrode by improving the microarchitecture and functionally introducing Cl–.
Changes and drivers of zooplankton diversity patterns in the middle reach of Yangtze River floodplain lakes, China
Authors: Lu Quanfeng , Liu Xiongjun , Qiu Xuemei , Liang Tao , Chen Jinping , Zhao Shuai , Ouyang Shan , Jin Binsong , Wu Xiaoping
Published: December 2021

Anthropogenic habitat alteration interferes the natural aquatic habitats and the system's hydrodynamics in the Yangtze River floodplain lakes, resulting in a serious decline in freshwater biodiversity. Zooplankton communities possess major position in freshwater ecosystems, which play essential parts in maintaining biological balance of freshwater habitats. Knowledge of processes and mechanisms for affecting variations in abundance, biomass, and diversity of zooplankton is important for maintaining biological balance of freshwater ecosystems. Here, we analyzed that the temporal and spatial changes in the structure of zooplankton community and their temporal and spatial variations respond to changes in environmental factors in the middle reach of Yangtze River floodplain lakes. The results showed that zooplankton samples were classified into 128 species, and Rotifera was the most common taxa. Significant seasonal differences were found among the abundance and diversity of zooplankton. Similarly, we also found significant seasonal differences among the biomass of zooplankton functional groups. The spatial turnover component was the main contributor to the β diversity pattern, which indicated that study areas should establish habitat restoration areas to restore regional biodiversity. The NMDS plot showed that the structure of zooplankton community exhibited significant seasonal changes, where the community structure was correlated with pH, water temperature, water depth, salinity, total nitrogen, chlorophyll‐a, and total phosphorus based on RDA. This study highlights that it is very important to ensure the floodplain ecosystem's original state of functionality for maintaining the regional diversity of the ecosystem as a whole.
Phenology dictates the impact of climate change on geographic distributions of six co‐occurring North American grasshoppers
Authors: Lemoine Nathan P.
Published: December 2021

Throughout the last century, climate change has altered the geographic distributions of many species. Insects, in particular, vary in their ability to track changing climates, and it is likely that phenology is an important determinant of how well insects can either expand or shift their geographic distributions in response to climate change. Grasshoppers are an ideal group to test the hypothesis that phenology correlates with range expansion, given that co‐occurring confamilial, and even congeneric, species can differ in phenology. Here, I tested the hypothesis that early‐ and late‐season species should possess different range expansion potentials, as estimated by habitat suitability from ecological niche models. I used nine different modeling techniques to estimate habitat suitability of six grasshopper species of varying phenology under two climate scenarios for the year 2050. My results suggest that, of the six species examined here, early‐season species were more sensitive to climate change than late‐season species. The three early‐season species examined here might shift northward during the spring, while the modeled geographic distributions of the three late‐season species were generally constant under climate change, likely because they were pre‐adapted to hot and dry conditions. Phenology might therefore be a good predictor of how insect distributions might change in the future, but this hypothesis remains to be tested at a broader scale.
Ultra‐thin ISFET‐based sensing systems
Authors: Shojaei Baghini Mahdieh , Vilouras Anastasios , Douthwaite Matthew , Georgiou Pantelis , Dahiya Ravinder
Published: December 2021

The ion‐sensitive field effect transistors (ISFETs), proposed little over 50 years ago, today make the most promising devices for lab‐on‐a‐chip, implantable, and point‐of‐care (POC) diagnostics. Their compatibility with CMOS (Complementary Metal Oxide Semiconductor) technology and the low cost through mass production have been the driving factors so far. Nowadays, they are also being developed in flexible form factors for new applications such as wearables and to improve the effective usage in existing applications such as implantable systems. In this regard, the CMOS ultra‐thin chip (UTC) technology and the bonding by printing are the noteworthy advances. This paper comprehensively reviews such new developments in the CMOS‐compatible ISFETs, along with their theory, readout circuitries, circuit‐based techniques for compensation of the ISFET's instabilities, such as the offset, flicker noise, and drift. The sensing mechanisms and the properties of interface between the electrolyte under test and the metal‐oxide based ion‐sensitive electrodes have been discussed along with a brief overview of the metal‐oxide based pH sensors. An overview of the reported mechanically flexible pH sensors, including ISFETs, is provided and the history of ISFET applications are also covered. Finally, established models that can be used to design flexible circuits are presented, and possible opportunities to use circuit techniques to compensate for mechanical deformation are discussed.
Flood risk of embanked areas and potential use of dredge spoils as mitigation measures in the southwest region of the Ganges–Brahmaputra–Meghna Delta, Bangladesh
Authors: Valentine Leslie , Wilson Carol A. , Rahman Md. Munsur
Published: December 2021

In the 1960s, earthen embankments, locally known as polders, were first constructed in the Ganges–Brahmaputra–Meghna (GBM) Delta with the intention of protecting agricultural lands from salinity; however, unintended consequences of the barriers have negatively impacted the region. Once‐active distributary channels have morphed into terminal, headless tidal channels as the sediment‐laden water that was once dispersed across the tidal delta plain is now restricted by embankments. Elevation loss within embankments and channel siltation adjacent to embankments are deleterious consequences of hard engineering and pose significant flood risk when effective sea level rise is considered. The purpose of this study is to assess the current and future flood risks of the embanked areas in the southwest region of the GBM Delta and to expand on the potential for local‐based solutions (e.g. mud plinths and embankments). We propose a novel source of material for these structures—repurposed dredge spoils.

Project sites are along terminal tidal channels, proximal to coastal towns in the southwest region of the delta. We calculate here that as the effective sea level rise will continue to increase in the years to come, the flood risk will correspondingly increase (>67%). Geospatial analyses reveal that several prominent tidal channels have reduced in width over the last 30+ years, and recent dredging operations removed ~1.7 × 106 m3 of sediment infill. Using conservative values, we estimate that the dredge spoils could be used to elevate ~20 000 houses on mud plinths or raise 18 km of existing embankments. On a delta‐wide scale, if all infilled tidal channels were dredged to 10% of their original widths, ~547 000 houses could be raised above the flood levels and ~500 km of embankments could be elevated. With a mean household population of 4.3 people, repurposing dredge spoils can positively impact ~2.4 million people within the vulnerable southwest region of the GBM Delta.
Differential Organic Contaminant Ionization Source Detection and Identification in Environmental Waters by Nontargeted Analysis
Authors: Ng Brian , Quinete Natalia , Gardinali Piero
Published: December 2021

The development of nontargeted analysis (NTA) methods to assess environmental contaminants of emerging concern, which are not commonly monitored, is paramount, especially when no previous knowledge on the identity of the pollution source is available. We compared complementary ionization techniques, namely electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI), in the detection and identification of organic contaminants in tap and surface waters from South Florida. Furthermore, the performance of a simple rationalized NTA method was assessed by analyzing 10 complex mixtures as part of the US Environmental Protection Agency's Non-targeted Analysis Collaborative Trial interlaboratory study, where limitations of the NTA approach have been identified (e.g., number of employed databases, false positives). Different water bodies displayed unique chemical features that can be used as chemical fingerprints for source tracking and discrimination. The APCI technique detected at least threefold as many chemical features as ESI in environmental water samples, corroborating the fact that APCI is more energetic and can ionize certain classes of compounds that are traditionally difficult to ionize by liquid chromatography-mass spectrometry. Kendrick mass defect plots and Van Krevelen diagrams were applied to elucidate unique patterns and theoretical chemical space regions of anthropogenic organic compounds belonging to homologous series or similar classes covered by ESI and APCI. Overall, APCI and ESI were established as complementary, expanding the detected NTA chemical space which would otherwise be underestimated by a single ionization source operated in a single polarity setting. Environ Toxicol Chem 2022;41:1154–1164. © 2021 SETAC

Abstract

Detection and identification of the chemical space in terms of organic chemicals of concern by non-targeted ESI and APCI methods of environmental water samples from South Florida. ESI = electrospray ionization, APCI = atmospheric pressure chemical ionization; PAH = polyaromatic hydrocarbon; PEG/PPG = polyethylene glycol/polypropylene glycol; PFAS = per- and polyfluoroalkyl substances; PBDE = polybrominated diphenyl ether; PCB = polychlorinated biphenyl; H:C = ratio of hydrogen to carbon; O:C = ratio of oxygen to carbon.
Water Chemistry, Exposure Routes, and Metal Forms Determine the Bioaccumulation Dynamics of Silver (Ionic and Nanoparticulate) in Daphnia magna
Authors: Lesser Emma , Sheikh Fatima Noor , Sikder Mithun , Croteau Marie-Noële , Franklin Natasha , Baalousha Mohammed , Ismail Niveen S.
Published: December 2021

Treatment wetlands utilize various physical and biological processes to reduce levels of organic contaminants, metals, bacteria, and suspended solids. Silver nanoparticles (AgNPs) are one type of contaminant that can enter treatment wetlands and impact the overall treatment efficacy. Grazing by filter-feeding zooplankton, such as Daphnia magna, is critical to treatment wetland functioning; but the effects of AgNPs on zooplankton are not fully understood, especially at environmentally relevant concentrations. We characterized the bioaccumulation kinetics of dissolved and nanoparticulate (citrate-coated) 109Ag in D. magna exposed to environmentally relevant 109Ag concentrations (i.e., 0.2–23 nmol L−1 Ag) using a stable isotope as a tracer of Ag. Both aqueous and nanoparticulate forms of 109Ag were bioavailable to D. magna after exposure. Water chemistry affected 109Ag influx from 109AgNP but not from 109AgNO3. Silver retention was greater for citrate-coated 109AgNP than dissolved 109Ag, indicating a greater potential for bioaccumulation from nanoparticulate Ag. Feeding inhibition was observed at higher dietary 109Ag concentrations, which could lead to reduced treatment wetland performance. Our results illustrate the importance of using environmentally relevant concentrations and media compositions when predicting Ag bioaccumulation and provide insight into potential effects on filter feeders critical to the function of treatment wetlands. Environ Toxicol Chem 2022;41:726–738. © 2021 SETAC

Abstract

Overview of experimental approach and key findings from development of biodynamic model comparing exposure of daphnids to dissolved and nanoparticulate silver (Ag). kuf = rate constant of dietborne 109Ag; AE = assimilation efficiency; IR = ingestion rate; ke = rate constant of 109Ag loss; kuw = influx rate constant of 109Ag.
Hydrogen production coupled with water and organic oxidation based on layered double hydroxides
Authors: Song Yingjie , Ji Kaiyue , Duan Haohong , Shao Mingfei
Published: December 2021

Hydrogen production via electrochemical water splitting is one of the most green and promising ways to produce clean energy and address resource crisis, but still suffers from low efficiency and high cost mainly due to the sluggish oxygen evolution reaction (OER) process. Alternatively, electrochemical hydrogen‐evolution coupled with alternative oxidation (EHCO) has been proposed as a considerable strategy to improve hydrogen production efficiency combined with the production of high value‐added chemicals. Although with these merits, high‐efficient electrocatalysts are always needed in practical operation. Typically, layered double hydroxides (LDHs) have been developed as a large class of advanced electrocatalysts toward both OER and EHCO with high efficiency and stability. In this review, we have summarized the latest progress of hydrogen production from the perspectives of designing efficient LDHs‐based electrocatalysts for OER and EHCO. Particularly, the influence of structure design and component regulation on the efficiency of their electrocatalytic process have been discussed in detail. Finally, we look forward to the challenges in the field of hydrogen production via electrochemical water splitting coupled with organic oxidation, such as the mechanism, selected oxidation as well as system design, hoping to provide certain inspiration for the development of low‐cost hydrogen production technology.
Fabrication and characterization of a pH‐sensitive intelligent film incorporating dragon fruit skin extract
Authors: Azlim Nurnabila Afiqah , Mohammadi Nafchi Abdorreza , Oladzadabbasabadi Nazila , Ariffin Fazilah , Ghalambor Pantea , Jafarzadeh Shima , Al‐Hassan A. A.
Published: December 2021

A novel intelligent pH‐sensing indicator based on gelatin film and anthocyanin extracted from dragon fruit skin (Hylocereus polyrhizus) (DFSE) as a natural dye was developed to monitor food freshness by the casting method. Anthocyanin content of DFSE was 15.66 ± 1.59 mg/L. Dragon fruit bovine gelatin films were characterized by Fourier transform infrared spectroscopy (FTIR) and observed by a scanning electron microscope (SEM). Moisture content, mechanical properties, water solubility, water vapor permeability (WVP), light transmittance, color, and pH‐sensing evaluations were evaluated for potential application. FTIR spectroscopy revealed that the extracted anthocyanin could interact with the other film components through hydrogen bonds. When the extract was added, films showed a smooth and clear surface as observed by SEM. The addition of anthocyanin increased the moisture content, thickness, and water solubility of the films, but decreased the WVP and light transmittance of films. Also, the incorporation of 15% v/v DFSE decreased the tensile strength from 17.04 to 12.91 MPa, increasing the elongation at break from 91.19% to 107.86%. The films showed higher ΔE with increasing DFSE content, which indicated that the film had good color variability. A significant difference in the color of the films was observed with exposure to different pH buffer solutions. The findings demonstrated that gelatin film incorporated with DFSE could be used as a visual indicator of pH variations to monitor the freshness of foods during storage time.
Fusion‐positive salivary gland carcinomas
Authors: Skálová Alena , Hyrcza Martin D. , Vaneček Tomáš , Baněčková Martina , Leivo Ilmo
Published: December 2021

Salivary gland tumors are a rare, heterogeneous group of neoplasms that pose significant diagnostic challenges for the histopathologist. Histopathological diagnosis relies primarily on morphological assessment, with ancillary special stains and immunohistochemistry. In recent years, new defining genomic alterations have been characterized in these tumors. In particular, they include gene fusions which have shown to be tightly tumor‐type specific, and thus valuable for use in diagnostically challenging cases. These discoveries also help in refining tumor classification. Furthermore, such genetic alterations may have prognostic as well as potentially therapeutic implications in the era of personalized medicine. This review aims at providing a summary of the most recent updates in this field.
Observations of postglacial sea‐level rise in northwest European traditions
Authors: Nunn Patrick D. , Creach Axel , Gehrels W. Roland , Bradley Sarah L. , Armit Ian , Stéphan Pierre , Sturt Fraser , Baltzer Agnès
Published: December 2021

In preliterate contexts, diverse knowledge was accumulated, processed and communicated orally. Recent research demonstrates that observations of memorable events were transferred in this way for thousands of years sometimes. Much of this information was eventually written down to reach literate audiences, which commonly judge such ‘myths and legends’ to be cultural inventions rather than ancient memories. This study examines 15 ‘submergence stories’ from northwest European coasts and argues that they plausibly represent memories of postglacial sea‐level rise, which, in this region, was spatially and temporally variable owing to the interaction of sea‐level rise with glacial isostatic adjustment. This study combines culture history and knowledge of earth rheology to argue that memories of the effects of postglacial land submergence in northwest Europe have endured for 5000–15,000 years. This requires a longevity of memory, orally communicated, that is not unprecedented, yet surprises many. It also shows that scientists might benefit from trying to better understand oral traditions from cultures elsewhere in the world that may have preserved observations of memorable events.
Prediction of biochemical nonresolution in patients with chronic drug‐induced liver injury: A large multicenter study
Authors: Wang Chun‐Yan , Deng Ya , Li Ping , Zheng Sujun , Chen Guofeng , Zhou Guangde , Xu Jing , Chen Yan‐Ping , Wang Zheng , Jin Xueyuan , Tang Jin‐Mo , Hu Kun‐Peng , Bi Jing‐Feng , Zhang Ping , Li Chun‐Xia , Huang Ang , Lv Gui‐Ji , Xiao Xiao‐He , Zou Zhengsheng , Ji Dong
Published: December 2021

Background and Aims

To clarify high‐risk factors and develop a nomogram model to predict biochemical resolution or biochemical nonresolution (BNR) in patients with chronic DILI.

Approach and Results

Retrospectively, 3655 of 5326 patients with chronic DILI were enrolled from nine participating hospitals, of whom 2866 underwent liver biopsy. All of these patients were followed up for over 1 year and their clinical characteristics were retrieved from electronic medical records. The endpoint was BNR, defined as alanine aminotransferase or aspartate aminotransferase >1.5× upper limit of normal or alkaline phosphatase >1.1× ULN, at 12 months from chronic DILI diagnosis. The noninvasive high‐risk factors for BNR identified by multivariable logistic regression were used to establish a nomogram, which was validated in an independent external cohort. Finally, 19.3% (707 of 3655) patients presented with BNR. Histologically, with the increase in liver inflammation grades and fibrosis stages, the proportion of BNR significantly increased. The risk of BNR was increased by 21.3‐fold in patients with significant inflammation compared to none or mild inflammation (p < 0.001). Biochemically, aspartate aminotransferase and total bilirubin, platelets, prothrombin time, sex, and age were associated with BNR and incorporated to construct a nomogram model (BNR‐6) with a concordance index of 0.824 (95% CI, 0.798–0.849), which was highly consistent with liver histology. These results were successfully validated both in the internal cohort and external cohort.

Conclusions

Significant liver inflammation is a robust predictor associated with biochemical nonresolution. The established BNR‐6 model provides an easy‐to‐use approach to assess the outcome of chronic DILI.
Overall survival benefit of osimertinib and clinical value of upfront cranial local therapy in untreated EGFR‐mutant nonsmall cell lung cancer with brain metastasis
Authors: Zhao Yang , Li Shuyan , Yang Xi , Chu Li , Wang Shengping , Tong Tong , Chu Xiao , Yu Fan , Zeng Ya , Guo Tiantian , Zhou Yue , Zou Liqing , Li Yida , Ni Jianjiao , Zhu Zhengfei
Published: December 2021

Osimertinib, as a third‐generation epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI), showed more potent efficacy against brain metastasis (BM) in untreated EGFR‐mutant nonsmall cell lung cancer (NSCLC) in the FLAURA study. However, the overall survival (OS) benefit of osimertinib and clinical value of cranial local therapy (CLT) in these patients remain undetermined. Here we conducted a retrospective study involving untreated EGFR‐mutant NSCLC patients with BMs receiving first‐line osimertinib or first‐generation EGFR‐TKIs. Upfront CLT was defined as CLT performed before disease progression to the first‐line EGFR‐TKIs. Pattern of treatment failure and survival outcomes were extensively investigated. Among the 367 patients enrolled, first‐generation EGFR‐TKI was administered in 265, osimertinib in 102 and upfront CLT performed in 140. Patients receiving osimertinib had more (P < .001) and larger BMs (P = .003) than those receiving first‐generation EGFR‐TKIs. After propensity score matching, osimertinib was found to prolong OS (37.7 vs 22.2 months, P = .027). Pattern of failure analyses found that 51.8% of the patients without upfront CLT developed their initial progressive disease (PD) in the brain and 59.0% of the cranial PD occurred at the original sites alone, suggesting potential clinical value of upfront CLT. Indeed, upfront stereotactic radiosurgery (SRS) and/or surgery was associated with improved OS among those receiving first‐generation EGFR‐TKIs (P = .019) and those receiving osimertinib (P = .041). In summary, compared to first‐generation EGFR‐TKIs, osimertinib is associated with improved OS in untreated EGFR‐mutant NSCLC with BMs. Meanwhile, upfront SRS and/or surgery may provide extra survival benefit, which needs to be verified in future studies.
A novel discriminant feature selection–based mutual information extraction from MR brain images for Alzheimer's stages detection and prediction
Authors: Shankar Venkatesh Gauri , Sisodia Dilip Singh , Chandrakar Preeti
Published: December 2021

Alzheimer's disease (AD), a neurodegenerative disorder, is a form of dementia. Quick or early diagnosis of AD is essential, but most of the available studies have focused on clinical or survey‐based data, leading to data inconsistency as many people feel hesitant or hide information due to disease and societal stigma. Nowadays, current computer‐aided support and techniques are mainly based on feature extraction, but due to redundant or similarly extracted features, any specific model is not producing best performance. This paper proposes a novel mutual relationship–based feature selection model with high‐altitude acute response like features for the brain‐predefined feature areas using magnetic resonance imaging. The mutual relationship between features is used to avoid similar features or create discrimination between different features due to which accuracy gets affected. In this work, four machine learning classifiers, namely decision tree, support vector machine (SVM), k‐nearest neighbor, and Naive Bayes are used for developing predictive model and algorithms. To avoid overfitting in model selection, we have used a 10‐fold cross‐validation for model training and testing. We collected data set from Alzheimer's disease Neuroimaging Initiative repository. The performance of supervised classifiers was estimated with area under the receiver operating characteristic curve, accuracy, precision, recall, and F1 score assessment measures. The results indicate SVM to be the best performing classifier for prediction (SVM recording the highest average area under curve score of 0.936, accuracy of 94.1%, precision of 96.9%, recall of 96.6%, and F1‐score of 96.8%) with 37 discriminant features.
Optimal delipidation solvent to secure extracellular matrix from human perirenal adipose tissue
Authors: Chun So Young , Ha Yun‐Sok , Yoon Bo Hyun , Lee Eun Hye , Kim Bo Mi , Gil Haejung , Han Man‐Hoon , Kwon Tae Gyun , Kim Bum Soo , Lee Jun Nyung
Published: December 2021

The objective of this study was to select the optimal delipidation solvent for preparation of human perirenal adipose tissue‐derived extracellular matrix (ECM). Human perirenal adipose tissue can be obtained in large amounts during surgery, and it can be an alternative source of human ECM. Delipidation is an essential procedure for the ECM preparation, because lipid strongly inhibits regeneration of target tissue. Isopropanol has been widely used as a delipidation solvent for adipose tissue. However, because adipose tissue is mostly composed of nonpolar lipid, a nonpolar solvent might be more effective for delipidation. We evaluated the delipidation efficiency of acetone, chloroform, methanol, ether, ethanol, isopropanol, water, chloroform/methanol, ethanol/heptane, ether/methanol, hexane/ethanol, and butanol/methanol solvents for ECM extraction from human perirenal adipose tissue. Among them, acetone‐treated adipose tissue showed the greatest delipidation efficiency (93.05%), significantly lower residual DNA content, and the greatest residual collagen concentration (42.49 ± 0.05 μg/g). In addition, acetone‐treated tissue also had well‐preserved ultrastructure with high porosity and significantly low in vitro cytotoxicity. These results suggested that acetone may be an optimal delipidation solvent for extraction of ECM from human perirenal adipose tissue.
Treatment for perpetrators of intimate partner violence: What is the evidence?
Authors: Yakeley Jessica
Published: December 2021

Intimate partner violence (IPV) is recognized as a worldwide health issue that calls for urgent interventions to prevent the significant physical and mental harm it poses to the individuals involved and to reduce its wider deleterious impacts on society. Despite 40 years of research in the field, incidence rates of IPV have not significantly declined and treatment services for perpetrators of IPV are scarce. Empirical research has been hindered by ideological disputes, and the most commonly used treatment approaches—the feminist‐oriented Duluth approach and cognitive‐behavioral treatments—lack evidence for their efficacy. This introduction to this issue of In Session reviews these ideological controversies and the current state of empirical evidence for the treatment of perpetrators of IPV; and summarizes the five papers, commissioned from different countries in Europe, North America, and Africa, comprising this issue, each of which presents a novel therapeutic intervention for this heterogeneous population
The search for tailored treatments: Discussion of five interventions for perpetrators of intimate partner violence
Authors: Yakeley Jessica
Published: December 2021

This commentary on five articles comprising this Journal of Clinical Psychology: In Session issue on therapeutic interventions for perpetrators of intimate partner violence (IPV) brings together relevant issues reflected in these papers concerning the need for tailored treatments for a heterogenous population of individuals with differing characteristics, psychopathology, risk factors and needs. Among the key issues addressed in this commentary are typologies of IPV, the influence of personality disorder and attachment in the predisposition to perpetrating IPV and identifying therapeutic factors common to these interventions. The discussion is contextualised within a field beset by controversy and political ideology which limits the impact of empirical research.
The vulnerability of women living homeless in Nicaragua: A comparison between homeless women and men in a low‐income country
Authors: Vázquez José J. , Cala‐Montoya Caridad A. , Berríos Alberto
Published: December 2021

This article takes a gender perspective approach to a series of issues that may affect the vulnerability of people in a homeless situation in Nicaragua, focusing particularly on women. The study was completed using data obtained from two similarly‐sized samples, one of homeless men (n = 32) and the other of homeless women (n = 30). The information was gathered using a structured interview. Results show that there are key similarities in the situation and characteristics of both men and women living homeless in Nicaragua. Results also support the thought that women living homeless – some with dependent children to care for – are in a situation of particular vulnerability, suffering violence, a greater need to find safe places to stay, greater “revolving door to homelessness,” more barriers to finding work and more sex work. The analysis of the issues differentiating men from women may be of use in driving forward public policies and social care resources adapted to the specific characteristics and needs of these women and their children. As can be taken from this paper, people living homeless in low‐income and high‐income countries share a number of similar circumstances, which in turn could facilitate a global approach to the problem.