bluuebunny/crossref_metadata_2025 huggingface dataset:
Mechanical Bond Enhanced Lithium Halide Ion‐Pair Binding by Halogen Bonding Heteroditopic Rotaxanes**
Authors: Munasinghe Vihanga K. , Pancholi Jessica , Manawadu Dilhan , Zhang Zongyao , Beer Paul D.
Published: May 2022

A family of novel halogen bonding (XB) and hydrogen bonding (HB) heteroditopic [2]rotaxane host systems constructed by active metal template (AMT) methodology, were studied for their ability to cooperatively recognise lithium halide (LiX) ion‐pairs. 1H NMR ion‐pair titration experiments in CD3CN:CDCl3 solvent mixtures revealed a notable “switch‐on“ of halide anion binding in the presence of a co‐bound lithium cation, with rotaxane hosts demonstrating selectivity for LiBr over LiI. The strength of halide binding was shown to greatly increase with increasing number of halogen bond donors integrated into the interlocked cavity, where an all‐XB rotaxane was found to be the most potent host for LiBr. DFT calculations corroborated these findings, determining the mode of LiX ion‐pair binding. Notably, ion‐pair binding was not observed with the corresponding XB/HB macrocycles alone, highlighting the cooperative, heteroditopic, rotaxane axle‐macrocycle component mechanical bond effect as an efficient strategy for ion‐pair recognition in general.
Fundamentals of secondary process aids in oil sands extraction
Authors: Manica Rogerio , Xiang Bailin , Bai Tianzi , Ashani Mahsa Nazemi , Li Jingqiao , Li Mingda , Zhang Zhiqing , Liu Qingxia
Published: May 2022

The application of sodium citrate (Na3Cit) as a secondary process aid (SPA) in combination with caustic (NaOH) was found to significantly improve the recovery and froth quality in oil sands extraction. Over the past several years, our group has been investigating the benefits of the combined application of Na3Cit and NaOH in oil sands extraction and the fundamental science involved. This review summarizes the recent developments and understandings based on experimental observations and theoretical analysis. Experimental techniques used to investigate different sub‐steps and the fundamental science involved in bitumen extraction are also discussed. Both the ideal system and the process water system are considered. Generally, the results show that the combined addition of Na3Cit and NaOH has a synergistic effect on enhancing the bitumen recovery, especially benefitting the bitumen liberation and coalescence, and preventing slime coating. The key fundamentals behind those benefits are Na3Cit chelating with metal cations in the extraction system and adsorbing on different interfaces. Therefore, the more negative zeta potential of bitumen, silica, clay, and air bubble was observed. The increased electrostatic repulsion and reduced adhesion are the main reasons for Na3Cit enhancing bitumen liberation. Through de‐activating the divalent cations in the bulk, Na3Cit eliminates slime coating and potentially helps bitumen droplets coalesce. Meanwhile, Na3Cit breaks asphaltene aggregates and lowers the interfacial tension of the bitumen/water interface by removing the metal‐bridge between surfaces‐active species contained in bitumen. The findings of this study provide a better understanding of the use of processing aids for the bitumen extraction process.
Hybrid smart model to determine concentration of acidic gases in absorption tower of sweetening process
Authors: Keshavarz Babaee Nejad Samira , Sayyad Amin Javad , Mohsenipour Ali Asghar , Zendehboudi Sohrab
Published: May 2022

The natural gases produced from underground reserves may contain sour gases such as H2S and CO2. If the amount of these gases is greater than the standard level, it will be harmful to humans and the environment. Hence, it appears important to accurately determine the concentration of H2S and CO2 in various equipment/units of a natural gas sweetening plant. In this study, a new connectionist approach is introduced to obtain the concentration of outlet acid gases of the sweetening tower of the South Pars gas refinery (in Iran), by utilizing a conventional connectionist tool optimized by an imperialist competitive algorithm (ICA). This ICA strategy is applied to optimize the weights, biases, and number of neurons of the artificial neural network (ANN) model. The input parameters in this modelling strategy include time, the amount of H2S in the output amine, the flow rate of input sour gas, the temperature of sea water for cooling, the mass flow rate of low‐pressure steam to the amine–amine heat exchanger, and the flow rate of input amine. The performance of the hybrid deterministic tool, ANN‐ICA, is compared with the ANN‐back propagation (BP) method. The coefficient of determination and mean squared error to forecast the concentration of output H2S are 0.8931 and 0.0125 for the ANN‐BP algorithm and 0.9057 and 0.0104 for the ANN‐ICA algorithm, respectively. These statistical values are 0.8428 and 0.0001 for the ANN‐BP model and 0.9307 and 0.000 05 for the ANN‐ICA model, respectively, while predicting output CO2 concentration. The results confirm that the ANN‐ICA is a more reliable approach, compared to ANN‐BP, to forecast the concentration of acidic gases leaving the absorption tower.
Biomass‐gas‐and‐nuclear‐to‐liquids (BGNTL) polygeneration process part II: Techno‐economic analysis
Authors: Glover Madison M. K. , Hoseinzade Leila , Adams Thomas A.
Published: May 2022

In this paper, new polygeneration processes co‐producing electricity, methanol, dimethyl ether (DME), and Fischer–Tropsch (FT) fuels from different feedstock ratios of biomass, natural gas, and nuclear hydrogen generated through a copper‐chlorine (CuCl) cycle are analyzed for operation in Canada to produce transportation fuels. This combination of carbonless heat and a ‘carbon neutral’ biomass feedstock would contribute to the net reduction in greenhouse gas (GHG) emissions. In Part I of this work, the model for this biomass‐gas‐and‐nuclear‐to‐liquids (BGNTL) process was developed. This work expands on it and evaluates the economic and environmental impacts this plant would have in both Ontario and Alberta based on their local costs and resource availability. The analysis demonstrates that an increase in the ratio of biomass to natural gas in feedstock reduces the emissions of the process but increases the cost of carbon dioxide equivalents (CO2e) avoided. The results show that the BGNTL concept can be an economically attractive way of reducing net transportation sector GHG emissions in both Ontario and Alberta in meaningful quantities.
Advanced Pyrrolidine‐Carbamate Self‐Immolative Spacer with Tertiary Amine Handle Induces Superfast Cyclative Drug Release
Authors: Dal Corso Alberto , Frigoli Margaux , Prevosti Martina , Mason Mattia , Bucci Raffaella , Belvisi Laura , Pignataro Luca , Gennari Cesare
Published: May 2022

Amine‐carbamate self‐immolative (SI) spacers represent practical and versatile tools in targeted prodrugs, but their slow degradation mechanism limits drug activation at the site of disease. We engineered a pyrrolidine‐carbamate SI spacer with a tertiary amine handle which strongly accelerates the spacer cyclization to give a bicyclic urea and the free hydroxy groups of either cytotoxic (Camptothecin) or immunostimulatory (Resiquimod) drugs. In silico conformational analysis and pKa calculations suggest a plausible mechanism for the superior efficacy of the advanced SI spacer compared to state‐of‐art analogues.
Modulating p‐Orbital of Bismuth Nanosheet by Nickel Doping for Electrocatalytic Carbon Dioxide Reduction Reaction
Authors: Wei Helei , Tan Aidong , Xiang Zhipeng , Zhang Jie , Piao Jinhua , Liang Zhenxing , Wan Kai , Fu Zhiyong
Published: May 2022

Electrochemical reduction of CO2 (CO2RR) to value‐added chemicals is an effective way to harvest renewable energy and utilize carbon dioxide. However, the electrocatalysts for CO2RR suffer from insufficient activity and selectivity due to the limitation of CO2 activation. In this work, a Ni‐doped Bi nanosheet (Ni@Bi‐NS) electrocatalyst is synthesized for the electrochemical reduction of CO2 to HCOOH. Physicochemical characterization methods are extensively used to investigate the composition and structure of the materials. Electrochemical results reveal that for the production of HCOOH, the obtained Ni@Bi‐NS exhibits an equivalent current density of 51.12 mA cm−2 at −1.10 V, which is much higher than the pure Bi‐NS (18.00 mA cm−2 at −1.10 V). A high Faradaic efficiency over 92.0 % for HCOOH is achieved in a wide potential range from −0.80 to −1.10 V, and particularly, the highest efficiency of 98.4 % is achieved at −0.90 V. Both experimental and theoretical results reveal that the superior activity and selectivity are attributed to the doping effect of Ni on the Bi nanosheet. The density functional theory calculation reveals that upon doping, the charge is transferred from Ni to the adjacent Bi atoms, which shifts the p‐orbital electronic density states towards the Fermi level. The resultant strong orbital hybridization between Bi and the π* orbitals of CO2 facilitates the formation of *OCHO intermediates and favors its activation. This work provides an effective strategy to develop active and selective electrocatalysts for CO2RR by modulating the electronic density state.
Applying early warning indicators to predict critical transitions in a lake undergoing multiple changes
Authors: Rohde Elizabeth , Pearce Nolan J. T. , Young Joelle , Xenopoulos Marguerite A.
Published: May 2022

Lakes are dynamic ecosystems that can transition among stable states. Since ecosystem‐scale transitions can be detrimental and difficult to reverse, being able to predict impending critical transitions in state variables has become a major area of research. However, not all transitions are detrimental, and there is considerable interest in better evaluating the success of management interventions to support adaptive management strategies. Here, we retrospectively evaluated the agreement between time series statistics (i.e., standard deviation, autocorrelation, skewness, and kurtosis—also known as early warning indicators) and breakpoints in state variables in a lake (Lake Simcoe, Ontario, Canada) that has improved from a state of eutrophication. Long‐term (1980 to 2019) monitoring data collected fortnightly throughout the ice‐free season were used to evaluate historical changes in 15 state variables (e.g., dissolved organic carbon, phosphorus, chlorophylla) and multivariate‐derived time series at three monitoring stations (shallow, middepth, deep) in Lake Simcoe. Time series results from the two deep‐water stations indicate that over this period Lake Simcoe transitioned from an algal‐dominated state toward a state with increased water clarity (i.e., Secchi disk depth) and silica and lower nutrient and chlorophyllaconcentrations, which coincided with both substantial management intervention and the establishment of invasive species (e.g.,Dreissenidmussels). Consistent with improvement, Secchi depth at the deep‐water stations demonstrated expected trends in statistical indicators prior to identified breakpoints, whereas total phosphorus and chlorophyllarevealed more nuanced patterns. Overall, state variables were largely found to yield inconsistent trends in statistical indicators, so many breakpoints were likely not reflective of traditional bifurcation critical transitions. Nevertheless, statistical indicators of state variable time series may be a valuable tool for the adaptive management and long‐term monitoring of lake ecosystems, but we call for more research within the domain of early warning indicators to establish a better understanding of state variable behavior prior to lake changes.
Deterministic and probabilistic analysis of different empirical models to estimate monthly mean diffuse solar radiation for composite climatic region of India
Authors: Singh Deepak Kumar , Akella Ashok Kumar , Manna Saibal
Published: May 2022

This research compares the performance of the models to estimate monthly mean diffuse solar radiation (DSR) on a horizontal surface for composite climatic region of India. The goal is to identify the most accurate model using deterministic and probabilistic analysis through two levels of uncertainty in daily sunshine period to examine the accuracy of the model that will be used to estimate DSR in the region under consideration. The meteorological data were collected from Indian Meteorological Department for the city of New Delhi (28°34′N, 77°12′E) which comes under composite climatic region prescribed by the Energy Conservation Building Code for India. From the literature, 150 typical models were chosen and categorized into three categories correlating diffuse fraction to sky‐clearness index and relative sunshine period. The models are statistically evaluated using well‐known statistical indicators in a unique way. In addition, the global performance indicator (GPI) is calculated using scaled values of indicators. The GPI of the chosen models ranged from −2.2912 to 0.2584, with the greatest value indicating the best model. Following that, the models are then ranked in decreasing order of GPI. Finally, the performances of the models are also checked for different locations having similar climatic conditions. Thus, results of this work are useful for impoverished countries as well as remote areas having similar environment conditions.
Review on the application of green and environmentally benign biowaste and natural substances in the synthesis of lithium‐ion batteries
Authors: Tran Ngo , Ta Qui T. H. , Tran Vinh Van
Published: May 2022

Environmental pollution and global warming have propelled the research activities toward the substitution of toxic materials with environmentally acceptable components in various spheres. Lithium‐ion battery (LIB) is exorbitantly used in different electronic devices in the present era and thus generates huge toxic electronic waste, which has become a global concern. Different approaches have been put forward to replace the commonly used materials for the fabrication of LIBs with processed biomass. This review discusses the significance and application of different biomass for fabricating electrodes and binders for LIBs. The electrochemical properties of the developed LIBs have also been discussed in detail. In addition, the required improvements have been put forth, so that biomass can be extensively used in future LIB to reduce the amount of generated toxic electronic wastes.

Highlights

Application of biowaste for the synthesis of Li‐ion battery.

Morphology of the synthesized materials.

Electrochemical properties of the synthesized materials.

Efficiency of the natural products as components in Li‐ion batteries.

The environmental safety of the materials as LIB components
Ni‐doped TiO2/TiO2 homojunction photoanodes for efficient dye‐sensitized solar cells
Authors: Atilgan Abdullah , Yildiz Abdullah
Published: May 2022

The development of novel bilayer photoanodes plays an essential role in dye‐sensitized solar cell (DSSC) applications to fabricate efficient devices. Herein, a novel homojunction photoanode consisting of undoped and Ni‐doped TiO2 layers with trace amounts of Ni dopant (0.5% at.) was prepared. After a systematic study on photoconversion efficiency that changes with tuning the location of the doped layer, an in‐depth understanding was obtained regarding the physical mechanism of the coupling of structural, optical and electrical properties. We demonstrated that the doped layer can be utilized for high‐performance DSSCs by employing a homojunction photoanode consisting of an upper‐layer of Ni‐doped TiO2 and a lower‐layer of undoped TiO2 to dramatically increase the photoconversion efficiency. We monitored that the light absorption ability of the dye‐loaded photoanodes strongly improved with the bilayer (Ni‐doped TiO2/TiO2), leading to a higher short circuit current. From impedance spectroscopy (Mott‐Schottky plots), compared to both undoped and the doped single‐layer analogues, a greater shift to more negative flat band potential was noticed for the bilayer and, therefore, a higher open‐circuit voltage was achieved. From electrochemical impedance spectroscopy analysis, it was found that chemical capacitance decreases, while recombination resistance increases after Ni incorporation in the photoanode. They were associated with a reduction in the number of immobile electrons trapped by defect states. A relatively longer electron lifetime of 10.18 ms and diffusion length of 63.2 μm were obtained for the device assembled with the homojunction (Ni‐doped TiO2/TiO2). The PCE (6.08%) of the device assembled with the bilayer was superior to its single‐layer analogue (4.13%), owing to its enhanced light harvesting capability, proper band alignment, improved injection ability, fast electron transport and better collection efficiency. Our results shed light on important characteristics of a homojunction photoanode, which can be considered for future studies and applications.
High capacitance twin‐graphene anode material for magnesium ion battery
Authors: Dua Harkishan , Deb Jyotirmoy , Sarkar Utpal
Published: May 2022

In this study, a magnesium ion rechargeable battery with twin‐graphene based anode material has been proposed and studied for its feasibility as a suitable option to replace the commercially available lithium‐ion rechargeable batteries. The adsorption of magnesium ion is tested at different sites on the substrate and adsorption at the trigonal sites is seen to be the most stable one. A supercell of twin‐graphene is seen to accommodate a maximum of 8 Mg ions which gives a high theoretical capacitance of . The Mg adsorbed anode material is seen to be thermodynamically stable in both single and fully accommodated systems. Nudged elastic band (NEB) calculations for the movement of Mg ions via different paths reveal a low diffusion barrier for the movement of ions which is indicative of higher diffusivity in the system and faster charging rates which render twin‐graphene as a suitable material for use in Mg‐ion batteries (MIB).
Applications of green technologies‐based approaches for food safety enhancement: A comprehensive review
Authors: Islam Fakhar , Saeed Farhan , Afzaal Muhammad , Ahmad Aftab , Hussain Muzzamal , Khalid Muhammad Armghan , Saewan Shamaail A. , Khashroum Ashraf O.
Published: May 2022

Food is the basic necessity for life that always motivated man for its preservation and making it available for an extended period. Food scientists always tried to preserve it with minimum deterioration in quality by employing and investigating innovative preservation techniques. The food sector always remained in search of eco‐friendly and sustainable solutions to tackle food safety challenges. Green technologies (ozone, pulsed electric field, ohmic heating, photosensitization, ultraviolet radiations, high‐pressure processing, ultrasonic, nanotechnology) are in high demand owing to their eco‐friendly, rapid, efficient, and effective nature in controlling microbes with a negligible residual impact on food quality during processing. The use of green technologies would be a desirable substitute for conventionally available preservation techniques. This paper discusses different food preservation techniques with special reference to green technologies to minimize the deleterious impact on the environment and employs these innovative technologies to play role in enhancing the food safety.
The unfolded protein response to PI*Z alpha‐1 antitrypsin in human hepatocellular and murine models
Authors: Lu Yuanqing , Wang Liqun R. , Lee Jungnam , Mohammad Naweed S. , Aranyos Alek M. , Gould Calvin , Khodayari Nazli , Oshins Regina A. , Moneypenny Craig G. , Brantly Mark L.
Published: May 2022

Alpha‐1 antitrypsin (AAT) deficiency (AATD) is an inherited disease caused by mutations in the serpin family A member 1 (SERPINA1, also known as AAT) gene. The most common variant, PI*Z (Glu342Lys), causes accumulation of aberrantly folded AAT in the endoplasmic reticulum (ER) of hepatocytes that is associated with a toxic gain of function, hepatocellular injury, liver fibrosis, and hepatocellular carcinoma. The unfolded protein response (UPR) is a cellular response to improperly folded proteins meant to alleviate ER stress. It has been unclear whether PI*Z AAT elicits liver cell UPR, due in part to limitations of current cellular and animal models. This study investigates whether UPR is activated in a novel human PI*Z AAT cell line and a new PI*Z human AAT (hAAT) mouse model. A PI*Z AAT hepatocyte cell line (Huh7.5Z) was established using clustered regularly interspaced short palindromic repeats (CRISPR)/Cas9 gene editing of the normal ATT (PI*MM) gene in the Huh7.5 cell line. Additionally, novel full‐length genomic DNA PI*Z hAAT and PI*M hAAT transgenic mouse models were established. Using these new models, UPR in Huh7.5Z cells and PI*Z mice were comprehensively determined. Robust activation of UPR was observed in Huh7.5Z cells compared to Huh7.5 cells. Activated caspase cascade and apoptosis markers, increased chaperones, and autophagy markers were also detected in Z hepatocytes. Selective attenuation of UPR signaling branches was observed in PI*Z hAAT mice in which the protein kinase R‐like ER kinase and inositol‐requiring enzyme1α branches were suppressed while the activating transcription factor 6α branch remained active. This study provides direct evidence that PI*Z AAT triggers canonical UPR and that hepatocytes survive pro‐apoptotic UPR by selective suppression of UPR branches. Our data improve understanding of underlying pathological molecular mechanisms of PI*Z AATD liver disease.
Effects of solriamfetol on on‐the‐road driving performance in participants with excessive daytime sleepiness associated with obstructive sleep apnoea
Authors: Vinckenbosch Frederick , Asin Jerryll , de Vries Nicolaas , Vonk Patty E. , Donjacour Claire E. H. M. , Lammers Gert Jan , Overeem Sebastiaan , Janssen Hennie , Wang Grace , Chen Dan , Carter Lawrence P. , Zhou Kefei , Vermeeren Annemiek , Ramaekers Johannes G.
Published: May 2022

Objective

To evaluate the impact of solriamfetol, a dopamine and norepinephrine reuptake inhibitor, on on‐the‐road driving in participants with excessive daytime sleepiness (EDS) associated with obstructive sleep apnoea (OSA).

Methods

Eligible participants were aged 21–75 years with OSA and EDS (Maintenance of Wakefulness Test mean sleep latency <30 minutes and Epworth Sleepiness Scale score ≥10). Participants were randomised 1:1 to solriamfetol (150 mg/day [3 days], then 300 mg/day [4 days]) or placebo for 7 days, before crossover to the other treatment paradigm. On Day 7 of each period, standardised on‐road driving tests occurred (2 and 6 hours postdose). Standard deviation of lateral position (SDLP) was the primary endpoint.

Results

Solriamfetol significantly reduced SDLP at 2 (n = 34; least squares mean difference, –1.1 cm; 95% CI, –1.85, –0.32; p = 0.006) and 6 hours postdose (n = 32; least squares mean difference, –0.8 cm; 95% CI, –1.58, –0.03; p = 0.043). Two hours postdose, 4 placebo‐treated and 1 solriamfetol‐treated participants had incomplete driving tests; 6 hours postdose, 7 and 3 participants, respectively, had incomplete tests. Common treatment‐emergent adverse events included headache, nausea, and insomnia.

Conclusions

Solriamfetol 300 mg/day significantly improved on‐the‐road driving performance in participants with EDS associated with OSA.
Protective Effect on Bone of Nacre Supplementation in Ovariectomized Rats
Authors: Nguyen Dung Kim , Laroche Norbert , Vanden‐Bossche Arnaud , Linossier Marie‐Thérèse , Thomas Mireille , Peyroche Sylvie , Normand Myriam , Bertache‐Djenadi Yacine , Thomas Thierry , Marotte Hubert , Vico Laurence , Lafage‐Proust Marie‐Hélène , Rousseau Marthe
Published: May 2022

Nacre has emerged as a beneficial natural product for bone cells and tissues, but its effect was only studied by gavage in the ovariectomized mouse model. We sought to assess the antiosteoporotic effect of nacre through a nutritional supplementation in the ovariectomized rat model. Sixteen‐week‐old female Wistar rats were either Sham‐operated or bilateral ovariectomized (OVX) and then fed with standard diet (Sham and OVX groups) or standard diet supplemented with either 0.25% CaCO3or nacre (OVX CaCO3and OVX Nacre group, respectively) for 28 days (n = 10/group). The bone microarchitecture was assessed at appendicular and axial bones by micro‐computed tomography (μCT). Histomorphometric analysis was performed to determine cellular and dynamic bone parameters. Bone metabolism was also evaluated by biochemical markers and gene expression levels. Nacre‐based diet prevented the OVX‐induced bone loss better than that of the CaCO3supplement, given the significant changes in trabecular bone volume fraction (BV/TV) both at the femoral distal metaphysis (difference, 35%;p = 0.004) and at the second lumbar spine (difference, 11%;p = 0.01). Trabecular osteoclast surfaces (Oc.S/BS) were also 1.5‐fold lower at the tibial proximal metaphysis in OVX Nacre group compared with OVX CaCO3group (p = 0.02).By principal component analysis (PCA), OVX Nacre group formed a cluster away from OVX group and with a trend closest to Sham group. These data were consistent with biological measurements demonstrating a positive profile related to nacre supplementation, which blunted an increase in serum CTX level and enhanced serum P1NP secretion 14 days post‐OVX compared with CaCO3supplementation.Bmp2mRNA expression in OVX Nacre group was +1.76‐fold (p = 0.004) and +1.30‐fold (p = 0.20) compared with OVX and OVX CaCO3groups, respectively. We conclude that supplementation with nacre could effectively limit bone loss induced by estrogen deficiency just after OVX in rats by modulating the negative imbalance of bone turnover. © 2022 The Authors.JBMR Pluspublished by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
The protective effects of trimetazidine against ovary ischemia–reperfusion injury via the TLR4/Nf‐kB signal pathway
Authors: Ozturk Aykut , Topcu Atilla , Deniz Esra , Duman Ozturk Seda , Arpa Medeni , Kutlu Yilmaz Eda
Published: May 2022

Late diagnosis and treatment of ovarian ischemia can lead to worsening of ischemia, irreversible damage to ovarian functions and infertility. In this process, there is no approved medical treatment that can reduce the negative effects of ischemia and contribute positively to ovarian functions during reperfusion after detorsion. Rats were randomly assigned into one of six groups of eight animals each. The groups were designed as follows: The control group, The ischemia(I) group, The Ischemia + Trimetazidine (I + TMZ) (20 mg/kg) group, and The ischemia–reperfusion group (I/R). The Ischemia–Reperfusion + Trimetazidine (I/R + TMZ) (20 mg/kg) group, and The Sham + Trimetazidine (Sham + TMZ) (20 mg/kg) group. In this study performed thiobarbituric acid reactive substances (TBARS), total thiol (–SH), interleukin 1 beta (IL‐1β), interleukin 6 (IL‐6), toll‐like receptor 4 (TLR4), and nuclear factor‐kappa B(NF‐κβ). Increased oxidative stress and inflammation were as a result of ovarian I and I/R application. Trimetazidine (TMZ), was sufficient to reduce the oxidative stress and inflammation. TLR4 and NF‐κβ, which were upregulated by oxidative stress and inflammation, were regressed by TMZ. TMZ should be considered as a potential therapeutic agent in addition to surgery in the clinical treatment of ovarian torsion.
Efficient removal of Imidacloprid and nutrients by microalgae‐bacteria consortium in municipal wastewater: effects, mechanism, and importance of light
Authors: Cheng Yongtao , Deng Zhikang , Wang Hongyu , Wang Jiping , Liu Zhe , Xiao Jingshang , Qian Long , Wu Li
Published: May 2022

BACKGROUND

With the rapid development of society, a large amount of wastewater and pesticides enter the water bodies globally, posing a threat to both the environment and the health of people and other living things. In this paper, an algal strain Scenedesmus sp. was isolated from a municipal wastewater treatment plant (WWTP); its interaction effect with wastewater bacteria on the removal of IMI and conventional pollutants in municipal wastewater was evaluated.

RESULTS

In this study, an algae‐bacteria system was constructed with municipal wastewater, with the aim of exploring the removal effects and mechanisms of the consortium system on Imidacloprid (IMI, 20 mg L−1 and 60 mg L−1) and conventional nutrients from municipal wastewater. The results showed that no IMI was removed under 20 μmol m−2 s−1. However, under 60 μmol m−2 s−1, more than 90% of IMI was removed in the algae‐wastewater group (AWG) with Scenedesmus sp.; this value is much higher than the 50.4% (20 mg L−1) and 36.1% (60 mg L−1) achieved by the wastewater group (WG) without Scenedesmus sp. Meanwhile, the removal efficiency of nitrogen was 82.3% (20 mg L−1) and 71.9% (60 mg L−1) in AWG, both of which are higher than the 73.4% and 59.1% in WG, respectively. Moreover, Scenedesmus sp. TXH has a strong resistance to IMI and 4 degradation products (including IMI‐urea, 4(5)‐hydroxy‐IMI, Nitrosimine, and a substance with m/z of 176) were found in AWG.

CONCLUSION

Using consortium to treat municipal wastewater containing IMI is an effective and safe way. © 2022 Society of Chemical Industry (SCI).
Tetracycline degradation by persulfate activated with novel magnetic composite ferrocene/chitosan@Fe3O4
Authors: Xie Lin , Chen Fang‐yan , Tang Yu‐bin , Hao Chen‐Chen
Published: May 2022

BACKGROUND

Ferrocene (Fc) is a chemically stable, safe and non‐toxic substance with excellent redox performance and is often used to activate various oxidants. However, Fc is a nanoscale non‐magnetic material, which needs a suitable carrier such as chitosan (CS) to be fixed and being compounded with magnetic material for recycling.

RESULTS

A new magnetic catalyst, Fc/CS@Fe3O4, was prepared for activating persulfate (PS) to degrade tetracycline (TC) in water. The catalyst prepared was characterized by X‐ray powder diffraction, Fourier transform infrared spectroscopy, X‐ray photoelectron spectroscopy and vibrating sample magnetometry, and the effects of the dosage of PS and catalyst, pH, temperature, coexisting anions and fulvic acid on TC degradation were investigated. The results showed that the removal of TC could be promoted by increasing the temperature, and acidic conditions are more beneficial to TC degradation than alkaline conditions. Cl−, CO32−, HCO3− and fulvic acid could all inhibit the degradation of TC. Light and catalyst had a synergistic activation effect on PS. Under conditions of PS and catalyst dosage all 400 mg L−1, temperature 25° C, TC concentration 30 mg L−1 and initial pH 5, TC could be completely degraded within 60 min. Both SO4−• and HO• contributed to TC degradation, and SO4−• was the main active species in the degradation system.

CONCLUSION

The results indicate that Fc/CS@Fe3O4 has good catalytic activity and stability, and has potential application in the treatment of antibiotics in water. © 2022 Society of Chemical Industry (SCI).
CARIBOU‐1: A pilot controlled trial of an Integrated Care Pathway for the treatment of depression in adolescents
Authors: Courtney Darren B. , Cheung Amy , Henderson Joanna , Bennett Kathryn , Wang Wei , Chen Sheng , Battaglia Marco , Strauss John , Mitchell Rachel , Wang Karen , Relihan Jacqueline , Prebeg Matthew , Darnay Karleigh , Szatmari Peter
Published: May 2022

Background

To co‐ordinate a multidisciplinary team in the delivery of guideline recommendations using a measurement‐based care framework, our group previously developed a care pathway for the treatment of depression in adolescents. Core components of the pathway were: assessment, education, cognitive‐behavioural therapy, a caregiver intervention group, a medication algorithm, and monthly measurement‐based care “team reviews” with the adolescent present. The aim of this study was to test the feasibility of conducting a controlled clinical trial of the pathway.

Method

We conducted a 20‐week pilot controlled clinical trial of the care pathway relative to treatment as usual. Participants were adolescents (age 14–18) with a primary diagnosis of Major Depressive Disorder recruited from one of two outpatient psychiatric clinics at academic hospitals. Site of presentation was the method of allocation. Thirty‐five youth were allocated to the pathway and 31 were allocated to treatment as usual. As this is a pilot study, trial feasibility outcomes were of primary interest, including clinician fidelity to the care pathway.

Results

Our target sample size was recruited over a 15‐month time interval. Clinician fidelity and adolescent engagement in the care pathway components on a priori checklists were high (95% and 80%, respectively). We collected baseline and 20‐week endpoint data for our primary outcome of the Children's Depression Rating Scale – Revised (CDRS‐R) for 83% of the sample. On linear mixed effects modelling, we observed a linear decrease in CDRS‐R across 4‐week intervals up to the 20‐week endpoint in both groups (β = −2.07; 95% CI −3.14 to −1.01).

Conclusion

A controlled clinical trial of a complex, multi‐component intervention for the treatment of depression in adolescents is feasible. Given the need to find optimal strategies to deliver effective care for adolescents with depression, a definitive randomized controlled trial of the pathway is warranted.

Trial is registered at Clinicaltrials.gov: NCT03428555
A comparative account of coelomocyte of earthworm ecotypes with reference to its morphology, morphometry, density, phagocytosis, autofluorescence, and oxidative status
Authors: Manna Sumit , Ray Abhishek , Gautam Arunodaya , Mukherjee Soumalya , Ray Mitali , Ray Sajal
Published: May 2022

Earthworms inhabit different strata of moist soil. Epigeic and endogeic earthworms prefer superficial and inner stratum of soil respectively, whereas, semiaquatic species are distributed around hydrated soil near ponds and lakes. Coelomocytes, the chief immunoeffector cells of coelomic origin, perform diverse physiological functions like phagocytosis, maintenance of cellular homeostasis, and acid–base balance of coelomic fluid, graft rejection, elicitation of cytotoxic, and oxidative responses under the challenges of pathogens and toxins. The present study aims to analyze selected morphological and functional parameters in three differentially adapted Indian earthworms of nonsimilar habitats. Coelomocytes of Glyphidrilus tuberosus (Stephenson, 1916) (semiaquatic), Perionyx excavatus (Perrier, 1872) (epigeic), and Eutyphoeus orientalis (Beddard, 1883) (endogeic) were isolated for morphological and morphometric analyses and subjected to determination of phagocytic, oxidative, and cytotoxic responses. Activities of phenoloxidase, pro, and antioxidant enzymes, and autofluorescence were determined in the extruded coelomocytes of earthworms of three contrasting habitats. The differential result may be correlated with species‐specific responses and variation in habitat preference and related adaptation.
Reproducibility of 3 T APT‐CEST in Healthy Volunteers and Patients With Brain Glioma
Authors: Wamelink Ivar J.H.G. , Kuijer Joost P.A. , Padrela Beatriz E. , Zhang Yi , Barkhof Frederik , Mutsaerts Henk J.M.M. , Petr Jan , van de Giessen Elsmarieke , Keil Vera C.
Published: May 2022

Background

Amide proton transfer (APT) imaging is a chemical exchange saturation transfer (CEST) technique offering potential clinical applications such as diagnosis, characterization, and treatment planning and monitoring in glioma patients. While APT‐CEST has demonstrated high potential, reproducibility remains underexplored.

Purpose

To investigate whether cerebral APT‐CEST with clinically feasible scan time is reproducible in healthy tissue and glioma for clinical use at 3 T.

Study Type

Prospective, longitudinal.

Subjects

Twenty‐one healthy volunteers (11 females; mean age ± SD: 39 ± 11 years) and 6 glioma patients (3 females; 50 ± 17 years: 4 glioblastomas, 1 oligodendroglioma, 1 radiologically suspected low‐grade glioma).

Field Strength/Sequence

3 T, Turbo Spin Echo ‐ ampling perfection with application optimized contrasts using different flip angle evolution ‐ chemical exchange saturation transfer (TSE SPACE‐CEST).

Assessment

APT‐CEST measurement reproducibility was assessed within‐session (glioma patients, scan session 1; healthy volunteers scan sessions 1, 2, and 3), between‐sessions (healthy volunteers scan sessions 1 and 2), and between‐days (healthy volunteers, scan sessions 1 and 3). The mean APTCEST values and standard deviation of the within‐subject difference (SDdiff) were calculated in whole tumor enclosed by regions of interest (ROIs) in patients, and eight ROIs in healthy volunteers—whole‐brain, cortical gray matter, putamen, thalami, orbitofrontal gyri, occipital lobes, central brain—and compared.

Statistical Tests

Brown‐Forsythe tests and variance component analysis (VCA) were used to assess the reproducibility of ROIs for the three time intervals. Significance was set at P < 0.003 after Bonferroni correction.

Results

Intratumoral mean APTCEST was significantly higher than APTCEST in healthy‐appearing tissue in patients (0.5 ± 0.46%). The average within‐session, between‐sessions, and between‐days SDdiff of healthy control brains was 0.2% and did not differ significantly with each other (0.76 > P > 0.22). The within‐session SDdiff of whole‐brain was 0.2% in both healthy volunteers and patients, and 0.21% in the segmented tumor. VCA showed that within‐session factors were the most important (60%) for scanning variance.

Data Conclusion

Cerebral APT‐CEST imaging may show good scan–rescan reproducibility in healthy tissue and tumors with clinically feasible scan times at 3 T. Short‐term measurement effects may be the dominant components for reproducibility.

Level of Evidence

2

Technical Efficacy

Stage 2
Four‐Dimensional Machine Learning Radiomics for the Pretreatment Assessment of Breast Cancer Pathologic Complete Response to Neoadjuvant Chemotherapy in Dynamic Contrast‐Enhanced MRI
Authors: Caballo Marco , Sanderink Wendelien B. G. , Han Luyi , Gao Yuan , Athanasiou Alexandra , Mann Ritse M.
Published: May 2022

Background

Breast cancer response to neoadjuvant chemotherapy (NAC) is typically evaluated through the assessment of tumor size reduction after a few cycles of NAC. In case of treatment ineffectiveness, this results in the patient suffering potentially severe secondary effects without achieving any actual benefit.

Purpose

To identify patients achieving pathologic complete response (pCR) after NAC by spatio‐temporal radiomic analysis of dynamic contrast‐enhanced (DCE) MRI images acquired before treatment.

Study type

Single‐center, retrospective.

Population

A total of 251 DCE‐MRI pretreatment images of breast cancer patients.

Field strength/sequence

1.5 T/3 T, T1‐weighted DCE‐MRI.

Assessment

Tumor and peritumoral regions were segmented, and 348 radiomic features that quantify texture temporal variation, enhancement kinetics heterogeneity, and morphology were extracted. Based on subsets of features identified through forward selection, machine learning (ML) logistic regression models were trained separately with all images and stratifying on cancer molecular subtype and validated with leave‐one‐out cross‐validation.

Statistical tests

Feature significance was assessed using the Mann–Whitney U‐test. Significance of the area under the receiver operating characteristics (ROC) curve (AUC) of the ML models was assessed using the associated 95% confidence interval (CI). Significance threshold was set to 0.05, adjusted with Bonferroni correction.

Results

Nine features related to texture temporal variation and enhancement kinetics heterogeneity were significant in the discrimination of cases achieving pCR vs. non‐pCR. The ML models achieved significant AUC of 0.707 (all cancers, n = 251, 59 pCR), 0.824 (luminal A, n = 107, 14 pCR), 0.823 (luminal B, n = 47, 15 pCR), 0.844 (HER2 enriched, n = 25, 11 pCR), 0.803 (triple negative, n = 72, 19 pCR).

Data Conclusions

Differences in imaging phenotypes were found between complete and noncomplete responders. Furthermore, ML models trained per cancer subtype achieved high performance in classifying pCR vs. non‐pCR cases. They may, therefore, have potential to help stratify patients according to the level of response predicted before treatment, pending further validation with larger prospective cohorts.

Evidence Level

4

Technical Efficacy

Stage 4
Automated Detection of Brain Metastases on T1‐Weighted MRI Using a Convolutional Neural Network: Impact of Volume Aware Loss and Sampling Strategy
Authors: Chartrand Gabriel , Emiliani Ramón D. , Pawlowski Sophie A. , Markel Daniel A. , Bahig Houda , Cengarle‐Samak Alexandre , Rajakesari Selvan , Lavoie Jeremi , Ducharme Simon , Roberge David
Published: May 2022

Background

Detection of brain metastases (BM) and segmentation for treatment planning could be optimized with machine learning methods. Convolutional neural networks (CNNs) are promising, but their trade‐offs between sensitivity and precision frequently lead to missing small lesions.

Hypothesis

Combining volume aware (VA) loss function and sampling strategy could improve BM detection sensitivity.

Study Type

Retrospective.

Population

A total of 530 radiation oncology patients (55% women) were split into a training/validation set (433 patients/1460 BM) and an independent test set (97 patients/296 BM).

Field Strength/Sequence

1.5 T and 3 T, contrast‐enhanced three‐dimensional (3D) T1‐weighted fast gradient echo sequences.

Assessment

Ground truth masks were based on radiotherapy treatment planning contours reviewed by experts. A U‐Net inspired model was trained. Three loss functions (Dice, Dice + boundary, and VA) and two sampling methods (label and VA) were compared. Results were reported with Dice scores, volumetric error, lesion detection sensitivity, and precision. A detected voxel within the ground truth constituted a true positive.

Statistical Tests

McNemar's exact test to compare detected lesions between models. Pearson's correlation coefficient and Bland–Altman analysis to compare volume agreement between predicted and ground truth volumes. Statistical significance was set at P ≤ 0.05.

Results

Combining VA loss and VA sampling performed best with an overall sensitivity of 91% and precision of 81%. For BM in the 2.5–6 mm estimated sphere diameter range, VA loss reduced false negatives by 58% and VA sampling reduced it further by 30%. In the same range, the boundary loss achieved the highest precision at 81%, but a low sensitivity (24%) and a 31% Dice loss.

Data Conclusion

Considering BM size in the loss and sampling function of CNN may increase the detection sensitivity regarding small BM. Our pipeline relying on a single contrast‐enhanced T1‐weighted MRI sequence could reach a detection sensitivity of 91%, with an average of only 0.66 false positives per scan.

Evidence Level

3

Technical Efficacy

Stage 2
Probing the pyrolysis of methyl formate in the dilute gas phase by synchrotron radiation and theory
Authors: Lowe Bethany , Cardona Alejandro L. , Salas Juana , Bodi Andras , Burgos Paci Maxi A. , Mayer Paul M.
Published: May 2022

The thermal dissociation of the atmospheric constituent methyl formate was probed by coupling pyrolysis with imaging photoelectron photoion coincidence spectroscopy (iPEPICO) using synchrotron VUV radiation at the Swiss Light Source (SLS). iPEPICO allows threshold photoelectron spectra to be obtained for pyrolysis products, distinguishing isomers and separating ionic and neutral dissociation pathways. In this work, the pyrolysis products of dilute methyl formate, CH3OC(O)H, were elucidated to be CH3OH + CO, 2 CH2O and CH4 + CO2 as in part distinct from the dissociation of the radical cation (CH3OH+• + CO and CH2OH+ + HCO). Density functional theory, CCSD(T), and CBS‐QB3 calculations were used to describe the experimentally observed reaction mechanisms, and the thermal decomposition kinetics and the competition between the reaction channels are addressed in a statistical model. One result of the theoretical model is that CH2O formation was predicted to come directly from methyl formate at temperatures below 1200 K, while above 1800 K, it is formed primarily from the thermal decomposition of methanol.
Bespoke supply‐chain resilience: The gap between theory and practice
Authors: Cohen Morris , Cui Shiliang , Doetsch Sebastian , Ernst Ricardo , Huchzermeier Arnd , Kouvelis Panos , Lee Hau , Matsuo Hirofumi , Tsay Andy A.
Published: May 2022

Recent research has documented that companies are pursuing a variety of strategies to enhance supply‐chain resilience. This paper examines how managers actually think about resilience strategies, and then analyzes the relationship between operations, supply‐chain characteristics, and the implemented strategies. We define a “Triple‐P” framework that matches resilience strategies to supply‐chain archetypes by examining Product, Partnership, and Process complexity based on interviews of senior supply‐chain executives. These interviews revealed two major influencers of resilience strategy, that is, Homogeneity of internal supply‐chain processes and Integration with other actors in their end‐to‐end supply chains. We found that the supply chains have different resilience requirements, have different ways to achieve resilience (which we conceptualize as “bespoke supply‐chain resilience”), and face different obstacles to resilience. This study aims at initiating a dialogue between supply‐chain scholars and practitioners to support more research for developing an effective supply‐chain resilience strategy.
Histopathological liver steatosis linked with high parenteral glucose and amino acid supply in infants with short bowel syndrome
Authors: Gunnar Riikka , Mutanen Annika , Merras‐Salmio Laura , Pakarinen Mikko P.
Published: May 2022

Background:

Steatosis is a common feature of intestinal failure–associated liver disease (IFALD) in adult and older pediatric patients receiving long‐term parenteral nutrition (PN). There are limited clinical data concerning steatosis in infants with short bowel syndrome (SBS). We investigated early histopathological steatosis and its association to PN.

Methods:

In this retrospective study, 31 patients with SBS had a diagnostic liver biopsy taken at the median age of 5 (IQR 3–8) months. Follow‐up biopsy was available for 24 patients at the median age of 29 (IQR 14‐52) months. We evaluated the biopsies for steatosis and other histopathological signs of IFALD and compared results with patient characteristics, PN composition, and liver biochemistry.

Results:

Diagnostic biopsies revealed steatosis in 8 (26%) patients. At the age of 3 months, patients with steatosis had received higher amounts of parenteral glucose: median 15.1 (IQR 12.4–17.2) vs 12.3 (8.7–14.4) g/kg/d (P = 0.04), amino acids: 2.9 (2.5–3.4) vs 2.2 (1.6–2.7) g/kg/d (P = 0.03), and energy: 87 (80–98) vs 73 (54–79) kcal/kg/d (P = 0.01) than those without steatosis. We detected no significant differences in parenteral lipid intake between the groups. Steatosis also associated with increased serum bile acid (P = 0.02), alanine aminotransferase (P = 0.0002), and aspartate aminotransferase (P = 0.001) levels.

Conclusions:

In this cohort, high parenteral glucose, amino acid, and energy provision associated with liver steatosis in infants with SBS. We recommend monitoring of bile acid and transaminase levels while aiming for PN with balanced macronutrient supply according to current recommendations to protect the liver from steatosis.