bluuebunny/crossref_metadata_2025 huggingface dataset:
Aptamer‐Assisted Bioconjugation of Tyrosine Derivatives with hemin/G‐quadruplex (hGQ) DNAzyme Nucleoapzyme Nanostructures
Authors: Wintermans Sophie , Keijzer Jordi F. , Dros Marte , Zuilhof Han , Albada Bauke
Published: August 2021

Hemin/G‐quadruplex (hGQ) DNAzymes are horseradish peroxidase‐mimicking catalysts capable of the oxidation of a variety of substrates. We now implement aptamer‐functionalized hGQ DNAzymes, also known as nucleoapzymes, to achieve increased bioconjugation of N‐methyl luminol to tyrosine‐containing residues and peptides. We found that the presence of a tyrosinamide‐binding aptamer leads to a 12‐fold increase in the catalytic rate constant (kcat), and the saturation kinetics curves that were obtained provide evidence for the involvement of the substrate binding site in the reaction. The application of the best performing nucleoapzymes for the modification of Tyr‐containing peptides reveals that (i) the aptamer also recognizes the ligand structure when this is embedded in a larger peptide structure, and (ii) distant residues in the peptide substrate can influence the conversion. As such, we show that nucleoapzymes display enzyme‐like features and provide an additional tool in the toolbox of bioconjugation chemistry.
Image Analysis of Flow Maldistribution during Boiling in Parallel Minichannels
Authors: Rafałko Gabriela , Grzybowski Hubert , Dzienis Paweł , Mosdorf Romuald , Adamowicz Adam
Published: August 2021

The boiling flow of distilled water with reverse flow in three parallel, rectangular, horizontal minichannels was investigated. The analyzed data was in the form of a set of video frames. An image analysis and statistical analysis of changes of pixel brightness in minichannels was conducted. A self‐organizing process was identified for short slug flow in neighboring minichannels. The identified synchronization process was accompanied by the increase in standard deviation of pixel brightness changes. The process of synchronization was observed for short slugs, but not for long slugs. It can be concluded that the synchronization of heat and mass transfer in minichannels can be achieved when the character of two‐phase flow patterns in each channel is not fully blocking the flow.
Remote triage incorporating symptom‐based risk stratification for suspected head and neck cancer referrals: A prospective population‐based study
Authors: Hardman John C. , Tikka Theofano , Paleri Vinidh ,   ENT UK, BAHNO and INTEGRATE (The UK ENT Trainee Research Network)
Published: August 2021

Background

Remote triage for suspected head and neck cancer (HNC) referrals was adopted by many institutions during the initial peak of the coronavirus disease 2019 pandemic. Its safety in this population has not been established.

Methods

A 16‐week, prospective, multicenter national service evaluation was started on March 23, 2020. Suspected HNC referrals undergoing remote triage in UK secondary care centers were identified and followed up for a minimum of 6 months to record the cancer status. Triage was supported by risk stratification using a validated calculator.

Results

Data for 4568 cases were submitted by 41 centers serving a population of approximately 26 million. These represented 14.1% of the predicted maximum referrals for this population outside of pandemic times, and this gave the study a margin of error of 1.34% at 95% confidence. Completed 6‐month follow‐up data were available for 99.8% with an overall cancer rate of 5.6% (254 of 4557). The rates of triage were as follows: urgent imaging investigation, 25.4% (n = 1156); urgent face‐to‐face review, 27.8%; (n = 1268); assessment deferral, 30.3% (n = 1382); and discharge, 16.4% (n = 749). The corresponding missed cancers rates were 0.5% (5 of 1048), 0.3% (3 of 1149), 0.9% (12 of 1382), and 0.9% (7 of 747; P = .15). The negative predictive value for a nonurgent triage outcome and no cancer diagnosis was 99.1%. Overall harm was reported in 0.24% (11 of 4557) and was highest for deferred assessments (0.58%; 8 of 1382).

Conclusions

Remote triage, incorporating risk stratification, may facilitate targeted investigations for higher risk patients and prevent unnecessary hospital attendance for lower risk patients. The risk of harm is low and may be reduced further with appropriate safety netting of deferred appointments.

Lay Summary

This large national study observed the widespread adoption of telephone assessment (supported by a risk calculator) of patients referred to hospital specialists with suspected head and neck cancer during the initial peak of the coronavirus disease 2019 pandemic.

The authors identified 4568 patients from 41 UK centers (serving a population of more than 26 million people) who were followed up for a minimum of 6 months.

Late cancers were identified, whether reviewed or investigated urgently (0.4%) or nonurgently (0.9%), but the overall rate of harm was low (0.2%), with the highest rate being seen with deferred appointments (0.6%).
Evaluation of programmed death ligand 1 immunohistochemistry in cytology specimens of head and neck squamous cell carcinoma
Authors: Heidarian Amin , Wenig Bruce M. , Hernandez‐Prera Juan C.
Published: August 2021

Liu and colleagues provide important and practical observations that can be incorporated into clinical practice. Moreover, their study can serve as the foundation for further investigations to establish evidence‐based clinical practice guidelines to optimize programmed death ligand 1 testing in patients with head and neck squamous cell carcinoma.
Microneedle Patch Prepared from a Hydrogel by a Mild Method for Insulin Delivery
Authors: Chen Xiang , Yu Haojie , Wang Li , Shen Di , ul Amin Bilal , Feng Jingyi , Zhang Qian , Xiong Wei
Published: August 2021

Most reported microneedle patches still suffer from a complicated preparation process and insufficient loading capacity for the glucose‐responsive delivery system. Herein, based on the reversibility of the boronate ester bond, a novel gel was formed by mixing phenylboronic acid grafted sodium hyaluronate and polyvinyl alcohol. The insulin‐loaded microneedle patch could be directly obtained by simply blending high‐dose insulin and gel into the mold. The introduction of cellulose nanofiber was also found to be in favor of mechanical strength. The glucose responsibility could be achieved when the boronate ester bond was broken by glucose, leading to the change of crosslinking density and further controlling insulin release. In the hypoglycemic experiment of diabetic rats, the microneedle patches could effectively puncture the skin and maintain normal blood glucose levels for an extended period. The facile preparation process and high loading capacity give this microneedle patch a great chance in mass production.
The risks associated with the widespread use of telemedicine in oncology: Four cases and review of the literature
Authors: Panet François , Tétreault‐Langlois Marianne , Morin Vincent , Sultanem Khalil , Melnychuk David , Panasci Lawrence
Published: August 2021

Background

COVID‐19 changed the way we practice oncology in multiple ways. Because most cancer patients are comorbid or immunocompromised, we are trying as much as possible to reduce their risk of infection. Marginal just 2 years ago, telemedicine quickly became preeminent with the pandemic to reduce hospital exposure. However, using only virtual visits in oncology patients risk delaying cancer diagnosis or the identification of a complication.

Case series

We present here four cases where a serious medical problem evident on physical exam was overlooked during a virtual visit. Two of our patients experienced a delay in cancer diagnosis thus putting them at risk of local or distant spread. The two others were established oncology patients where a serious medical complication was missed on a virtual visit.

Conclusions

Now more than a year into the pandemic, telemedicine has clearly been a useful tool by limiting unnecessary hospital visits. Yet, as our cases illustrate, its use in oncology without clear boundary can undermine the quality of care. Now that effective vaccines are reducing the transmission and the severity of infection, most oncology patients can be evaluated by a real‐time visit.
Interplay of Halogen and Hydrogen Bonding through Co–Crystallization in Pharmacologically Active Dihydropyrimidines: Insights from Crystal Structure and Energy Framework
Authors: Bairagi Keshab M. , Ingle Kapil S. , Bhowal Rohit , Mohurle Smital A. , Hasija Avantika , Alwassil Osama I. , Venugopala Katharigatta N. , Chopra Deepak , Nayak Susanta K.
Published: August 2021

A solvent‐assisted grinding method has been used to prepare co‐crystals in substituted dihydropyrimidines (DHPM) that constitutes pharmacologically active compounds. These were characterized using FT‐IR, PXRD, and single‐crystal X‐ray diffraction. In order to explore the possibility of formation of halogen (XB) and hydrogen bonding (HB) synthons in the solid state, co‐crystallization attempts of differently substituted DHPM molecules, containing nitro, hydoxy, and chloro substituents, with different co‐formers, such as 1,4‐diiodo tetrafluorobenzene (1,4 DITFB) and 3‐nitrobenzoic acid (3 NBA) were performed. The XB co‐crystals (C2aXB, C2bXB, and C2cXB) prefer the formation of C−I⋅⋅⋅O/C−I⋅⋅⋅S XB synthon, whereas the HB co‐crystal (C2dHB) is stabilized by N−H⋅⋅⋅O H‐bond formation. Hirshfeld surface analysis revealed that the percentage contribution of intermolecular interactions for XB co‐crystals prefer equal contribution of XB synthon along with HB synthon. Furthermore, the interaction energy was analyzed using energy frameworks, which suggests that their stability, a combination of electrostatics and dispersion, is enhanced through XB/HB in comparison to the parent DHPMs.
A Flexible Synthetic Approach to Fluorescent Chromeno[4,3‐b]pyridines and Pyrano[3,2‐c]chromenes from Electron‐Deficient 3‐Vinylchromones
Authors: Chernov Nikita M. , Shutov Roman V. , Sipkina Nadezhda Yu. , Krivchun Maxim N. , Yakovlev Igor P.
Published: August 2021

We report a flexible approach to the synthesis of phenanthrene‐like heterocycles through organocatalytic ANRORC (Addition of the Nucleophile, Ring Opening, and Ring Closure) reaction of electron‐deficient 3‐vinylchromones with cyanoacetamide. Addition of highly basic DBU (1,8‐diazabicyclo[5.4.0]undec‐7‐ene) or tetramethylguanidine (TMG) at 80 °C leads to chromeno[4,3‐b]pyridines in good yields, whereas Et3N at 20 °C made it possible to obtain the less accessible pyrano[3,2‐c]chromenes and their 2‐imines. The synthesis proceeds in mild conditions (EtOH, 20–80 °C), is versatile and applicable for a wide scope of reactants. The obtained compounds show bright fluorescence in the range 460–595 nm with high quantum yields (up to 0.84) in various solvents (MeCN, DMSO, EtOH, H2O).
A critical review of cognitive behavioural therapy for hoarding disorder: How can we improve outcomes?
Authors: David Jonathan , Crone Cassandra , Norberg Melissa M.
Published: August 2021

Psychological treatment for hoarding problems has historically been associated with poor outcomes. When treated as a subgroup of obsessive–compulsive disorder, individuals with hoarding beliefs were less likely to respond to treatment than individuals exhibiting other obsessive–compulsive beliefs and behaviours. When treated as its own disorder using cognitive behavioural therapy, individuals report approximately 25% improvement in symptoms on average. However, less than a third of people experience clinically meaningful change. Further, changes in functioning and quality of life are not routinely assessed. In this paper, we review the current conceptualization and treatment of hoarding problems to shed light on how treatment for hoarding disorder may be improved. Utilizing a harm reduction approach before administering treatment may be important to ensure the safety of individuals. Research should test whether treatment outcomes improve by including strategies that enhance a client's interpersonal functioning and ability to regulate emotions (i.e., based on dialectal behaviour therapy and mentalization‐based treatments), especially while discarding and organizing belongings. We should also use modern learning theory to improve the delivery of exposure activities.
Electrocatalytic Oxygen Evolution Reaction in Acidic Conditions: Recent Progress and Perspectives
Authors: Pu Zonghua , Liu Tingting , Zhang Gaixia , Ranganathan Hariprasad , Chen Zhangxing , Sun Shuhui
Published: August 2021

The electrochemical oxygen evolution reaction (OER) is an important half‐cell reaction in many renewable energy conversion and storage technologies, including electrolyzers, nitrogen fixation, CO2 reduction, metal‐air batteries, and regenerative fuel cells. Among them, proton exchange membrane (PEM)‐based devices exhibit a series of advantages, such as excellent proton conductivity, high durability, and good mechanical strength, and have attracted global interest as a green energy device for transport and stationary sectors. Nevertheless, with a view to rapid commercialization, it is urgent to develop highly active and acid‐stable OER catalysts for PEM‐based devices. In this Review, based on the recent advances in theoretical calculation and in situ/operando characterization, the OER mechanism in acidic conditions is first discussed in detail. Subsequently, recent advances in the development of several types of acid‐stable OER catalysts, including noble metals, non‐noble metals, and even metal‐free OER materials, are systematically summarized. Finally, the current key issues and future challenges for materials used as acidic OER catalysis are identified and potential future directions are proposed.
Turn to data for tuition benchmarking, accurately representing your institution
Authors: Sutton Halley
Published: August 2021

In 2020, Michael Crowder, Ph.D., was hired from his role as Professor of Chemistry and Biochemistry and Department Chair to Associate Provost and Dean of the Graduate School at Miami University in Ohio. “I think both the Chair and the Dean positions are called leadership positions, but you find out very clearly you're here to serve the faculty, staff, and students. It's something you don't understand until you get into the position,” Crowder said.
Cytologic features of hepatic YAP1‐TFE3 rearranged epithelioid hemangioendothelioma
Authors: Bourgeau Melanie , Martinez Anthony , Deeb Kristin K. , Reid Michelle D. , Lewis Melinda , Point du Jour Kimberly S. , Lai Jinping , Shi Qiuying
Published: August 2021

Epithelioid hemangioendothelioma (EHE) is a rare vascular tumor of intermediate malignancy, often with indolent behavior. Though most cases have a characteristic WWTR1‐CAMTA1 gene fusion, a subtype of EHE with YAP1‐TFE3 fusions and a distinct morphology has recently been described histologically, but no cases of YAP1‐TFE3 EHE have been described in the cytology literature. We herein report on a case of YAP1‐TFE3 fusion associated EHE diagnosed on fine‐needle aspiration and core biopsy of a liver mass in an 18‐year‐old male patient who presented with synchronous lung and liver involvement. We also discuss the differential diagnosis of EHE on cytology specimens.
Ketotifen is a Prodrug. Norketotifen is the active metabolite.
Authors: Aberg Axel Karl Gunnar , Arulnesan Nada , Bolger Gordon T. , Ciofalo Vincent B. , Pucaj Kresimir , Walle Kristina , Walle Thomas
Published: August 2021

Evaluation of the in vitro human liver microsome and hepatocyte metabolism of ketotifen demonstrated that norketotifen (NK) is the major demethylated hepatic metabolite of ketotifen. It is here reported that NK is completely devoid of the severe and dose‐limiting sedative effects of ketotifen. Thus, while ketotifen is clinically dose‐limited to 1 mg, bid, there are no dose‐limiting sedative effects elicited by NK, even after the highest single‐dose (16 mg) or after repeat‐doses (8 mg × 7 days) in humans or after the highest doses given to dogs in repeat‐dose toxicological studies (40 mg/kg × 14 days). In addition, NK—but not ketotifen—was found to express potent and dose‐dependent inhibition of the release of the pro‐inflammatory cytokine TNFα from activated human buffy coat preparations. Thus, when used as an anti‐inflammatory drug, ketotifen is the sedating prodrug which is converted to NK a nonsedating metabolite with anti‐inflammatory activity.
The Slit‐binding Ig1 domain is required for multiple axon guidance activities of Drosophila Robo2
Authors: Howard LaFreda J. , Reichert Marie C. , Evans Timothy A.
Published: August 2021

Drosophila Robo2 is a member of the evolutionarily conserved Roundabout (Robo) family of axon guidance receptors. Robo receptors signal midline repulsion in response to Slit ligands, which bind to the N‐terminal Ig1 domain in most family members. In the Drosophila embryonic ventral nerve cord, Robo1 and Robo2 signal Slit‐dependent midline repulsion, while Robo2 also regulates the medial‐lateral position of longitudinal axon pathways and acts non‐autonomously to promote midline crossing of commissural axons. While Robo2 signals midline repulsion in response to Slit, it is less clear whether Robo2's other activities are also Slit‐dependent. To determine which of Robo2's axon guidance roles depend on its Slit‐binding Ig1 domain, we used a clustered regularly interspaced short palindromic repeats (CRISPR)/Cas9‐based strategy to replace the endogenous robo2 gene with a robo2 variant lacking the Ig1 domain (robo2∆Ig1). We compare the expression and localization of Robo2∆Ig1 protein with full‐length Robo2 in embryonic neurons in vivo and examine its ability to substitute for Robo2 to mediate midline repulsion and lateral axon pathway formation. We find that the removal of the Ig1 domain from Robo2∆Ig1 disrupts both of these axon guidance activities. In addition, we find that the Ig1 domain of Robo2 is required for its proper subcellular localization in embryonic neurons, a role that is not shared by the Ig1 domain of Robo1. Finally, we report that although FasII‐positive lateral axons are misguided in embryos expressing Robo2∆Ig1, the axons that normally express Robo2 are correctly guided to the lateral zone, suggesting that Robo2 may guide lateral longitudinal axons through a cell non‐autonomous mechanism.
Understanding arid‐region waterbird community dynamics during lake dry‐downs
Authors: Cumming Graeme S. , Henry Dominic A. W. , Mutumi Gregory L. , Ndlovu Mduduzi
Published: August 2021

The community dynamics of organisms that exhibit multi‐scale responses to habitat change are poorly understood. We quantified changes in species diversity and the functional composition of a waterbird community over two iterations of a repeated transition, the annual drying‐down of arid‐region Lake Ngami, Botswana. We used our data to test three theoretical predictions: simplification of the bird community over time due to a reduction in habitat area and concurrent niche loss; large fluctuations in densities of mobile, opportunistic species; and high variance in predator and prey abundance. Despite temporal variance in species accumulation, we observed no obvious simplification and distinct but consistent groupings of abundance and composition across transitional stages. There were some rapid shifts in functional composition, such as loss of deepwater foragers; winners and losers also occurred within foraging guilds. We conclude that understanding community‐level trends during transitional periods will require stronger theoretical frameworks that more effectively integrate unique species traits and functional groups. For conservation managers, our study offers a cautionary tale of the importance of understanding connectivity, trajectories of change, and the potential for large fluctuations in animal communities independent of management actions during periods of ecological transition.
The impact of lateral flow contraction on the rock plucking process under sub‐critical flow conditions
Authors: Saha Rupayan , Lee Jun Seon , Hong Seung Ho
Published: August 2021

Rock plucking is the vertical removal of chunks of rock along intersection joint planes by flowing water. The plucking of durable jointed rock in a natural stream alters stream morphology and potentially damages a bridge substructure situated on a rock foundation by local erosion. Despite its importance, the mechanics of bedrock erosion by plucking are not well understood. In this study, we conduct laboratory experiments to investigate the threshold of block entrainment through plucking near a flow obstruction under sub‐critical conditions. In a laboratory flume, we reproduce a wide range of typical lateral flow contraction scenarios that occur around a large rock or bridge substructure and investigate the process of the vertical entrainment of blocks near the obstruction. Two different modes of block removal process (impulsive plucking and accumulative plucking) are observed near the bluff structure. We find that under severe flow contraction, blocks are more likely to escape quickly via impulsive plucking because higher flow contraction and the resulting strong local turbulence around the structure generate large instantaneous uplift force that removes the block within a short period of time; however, we observe accumulative plucking under weaker flow contraction near the bluff structure. From the experimental results, we develop a formula for the threshold point of block dislocation caused by plucking with respect to the degree of lateral flow contraction. The results indicate that increasing the flow contraction ratio reduces block stability because of higher flow acceleration and the increased turbulence effect near the upstream edge of the obstruction. The results of this study should be useful to those who estimate the rate of rock erosion by plucking in natural open channels around a bluff structure.
Deactivation behaviour of intermetallic Ga‐Ni catalyst in CO2 hydrogenation to methanol
Authors: Ahmad Kaisar , Anushree  , Upadhyayula Sreedevi
Published: August 2021

The chemical conversion of greenhouse gas CO2 to environmentally benign compounds, especially alternative fuels like methanol, is an inevitable solution to the global warming problem. The intermetallic catalysts exhibit superior catalytic activity compared to the monometallic ones but suffer from loss of activity during the reaction. Herein, we report the influence of the preparation method on the deactivation behaviour of Ga3Ni5 catalyst in CO2 hydrogenation to methanol. The Ga3Ni5 catalyst was prepared through three different methods. The spent catalysts from the reactor were characterized by X‐ray diffraction, transmission electron microscopy‐energy dispersive X‐ray spectroscopy (TEM‐EDX), Brunaue‐Emmett‐Teller (BET), H2‐pulse chemisorption, and Fourier‐transform infrared spectroscopy (FTIR) technique to evaluate the cause and nature of deactivation. After 250 hr of CO2 hydrogenation, all catalysts had lost about 50% of their initial activity due to the erosion of active sites. The nanoparticle dispersion was found to increase in the order Ga3Ni5‐CE< Ga3Ni5‐IWI < Ga3Ni5‐CP. The activity of catalysts during methanol synthesis (at 473 K, 20 bar) initially depicted a similar trend. However, the selectivity to methanol remained comparatively high for the catalysts prepared by the co‐precipitation method. The loss of activity in Ga3Ni5 catalysts was mainly attributed to the metal sintering and a lesser extent, by coke deposition. The kinetics of deactivation was studied based on the normalized dispersion, and the deactivation rate constant was estimated using the power‐law kinetic rate model. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd.
The Impact of Ionic Surfactants on the Crystallisation of Glycine Polymorphs
Authors: Davey Roger J. , Dowling Richard J. , Cruz‐Cabeza Aurora J.
Published: August 2021

The glycine polymorphs have provided a rich and challenging tapestry for crystal growth and polymorphism studies. In this new contribution we report some preliminary studies of the impact of two ionic surfactants on the morphologies and the competitive crystallisation of the α and γ polymorphs. We find both selective growth inhibition and acceleration combined with fascinating crystal aggregates. The role of both monomeric and micellar forms of the surfactants are explored and discussed in terms of nucleation and crystal growth processes.
Repurposing acoustic modulation schemes to support ultrasonic IoT NFC
Authors: Herrero Rolando
Published: August 2021

Traditional radio based communication scenarios for both Wireless Personal Area Network (WPAN) and Low Power Wide Area Network (LPWAN) schemes rely heavily on modulation mechanisms over Industrial, Scientific and Medical (ISM) bands. These bands are increasingly getting overcrowded with cordless phone, BLE, Wi‐Fi, IEEE 802.15.4, LoRa and other transmissions. On the other hand, ultrasonic communications can be a valid alternative to some of these radio technologies by providing Near Field Communication (NFC) in the context of WPANs. In this paper we present physical and link layers that rely on a well‐known and proven acoustic modulation mechanism that is adapted and extended to handle the requirements of Internet of Things (IoT) networks over the ultrasonic spectrum. Specifically, the proposed mechanism attempts to comply with one of the most important requirements of IoT, that is, the support of end‐to‐end IPv6 connectivity. This support is critical to enable the integration with IoT devices and applications.
Development of a highly stable picosecond time‐resolved Raman spectrometer near Fourier‐transform limit with a femtosecond light source
Authors: Tokita Tsukasa , Takaya Tomohisa , Iwata Koichi
Published: August 2021

Picosecond time‐resolved Raman spectroscopy is an experimental method effective for studying the structure and dynamics of short‐lived transient species. Spectral resolution of less than 10 cm−1 and high stability of the laser light source are both critically important for extracting detailed information on the structure and dynamics of the transient species from the observed picosecond time‐resolved Raman spectra. However, it is often technically challenging to obtain stable picosecond pulses that have a spectral width of 10 cm−1 or smaller, which is only achieved if the time‐energy product of a light pulse is close to the Fourier‐transform limit, from a picosecond light source. We present a new scheme for a picosecond time‐resolved Raman spectrometer with a stable femtosecond laser as its light source. Femtosecond light pulses from the laser are successfully converted to stable picosecond light pulses with a volume‐grating notch filter. The spectral and temporal widths of the prepared picosecond pulse are 6.0 cm−1 and 3.2 ps, respectively, close to the Gaussian Fourier‐transform limit. The vibrational cooling dynamics of S1 trans‐stilbene prepared with the photoexcitation at 316 and 266 nm has been observed with the newly developed picosecond time‐resolved Raman spectrometer, demonstrating a high capability of the proposed method.
Characterizing historical transformation trajectories of the forest landscape in Rome's metropolitan area (Italy) for effective planning of sustainability goals
Authors: Solano Francesco , Praticò Salvatore , Piovesan Gianluca , Chiarucci Alessandro , Argentieri Alessio , Modica Giuseppe
Published: August 2021

With the aim at developing a landscape dynamics framework for environmental planning and management and testing the effectiveness of protected areas in achieving the 2030 Agenda of the United Nations sustainability goals, we characterized the historical transformation trajectories of forest area changes from 1936 to 2010 in the Metropolitan City of Rome Capital (Italy). Remote sensing‐based products coupled with landscape pattern metrics and fragmentation analysis have been implemented, comparing different historical forest maps. The results show a remarkable forest area gain – from 17.6% to 25.5% – thanks to 68,299 ha of recently established forest. Statistical descriptors showed that the highest relative gain occurred in mountain zones, confirming a wide European forest recovery pattern in marginal areas from past deforestation and overexploitation. Deforestation mainly occurred in the flat and hilly areas where almost 26,000 ha of forests were lost since 1936. In summary, two main forest landscape dynamics were reconstructed: (I) the increase of forest cover fragmentation in the lowland areas; and (II) the rise in the forest area in the interior sectors of the mountain landscape, mainly within protected areas. Restoring the forest ecosystem's bioecological integrity has been highlighted as an urgent action for biodiversity conservation and carbon mitigation. In lowland areas, the study revealed the urgent need to establish new protected areas and rewilding spaces as landscape metrics are relatively below the sustainability targets for healthy forest ecosystems. The proposed framework can be used for testing the effectiveness of environmental planning and management in other forest landscapes to achieve the Agenda 2030 goals.
MGRNN: Structure Generation of Molecules Based on Graph Recurrent Neural Networks
Authors: Lai Xin , Yang Peisong , Wang Kunfeng , Yang Qingyuan , Yu Duli
Published: August 2021

Molecular structure generation is a critical problem for materials science and has attracted growing attention. The problem is challenging since it requires to generate chemically valid molecular structures. Inspired by the recent work in deep generative models, we propose a graph recurrent neural network model for drug molecular structure generation, briefly called MGRNN (Molecular Graph Recurrent Neural Networks). MGRNN combines the advantages of both iterative molecular generation algorithm and the efficiency of the training strategies. Moreover, MGRNN shows: (i) efficient computation for training; (ii) high model robustness for data; and (iii) an iterative sampling process, which allows to use chemical domain expertise for valency checking. Experimental results show that MGRNN is able to generate 69 % chemically valid molecules even without chemical knowledge and 100 % valid molecules with chemical rules.
Existence and concentration of ground states to a critical Choquard‐type equation involving steep potential well
Authors: Wu Huiling
Published: August 2021

We study the Choquard‐type equation with a critical local term and steep potential well

where
, and Iα is the Riesz potential. Some results about the existence of ground states to this problem are obtained. Furthermore, we establish the concentrate behavior of the ground states as λ → +∞.
Three dimensional radial echo planar imaging for functional MRI
Authors: Rettenmeier Christoph A. , Maziero Danilo , Stenger V. Andrew
Published: August 2021

Purpose

To demonstrate a novel 3D radial echo planar imaging (3D REPI) sequence for flexible, rapid, and motion‐robust sampling in fMRI.

Methods

The 3D REPI method expands on the recently described golden angle rotated EPI trajectory using radial batched internal navigator echoes (TURBINE) approach by exploiting the unused perpendicular direction in the EPI readout to form fast analogues of rotated stack of stars or spirals trajectories that cover all 3 dimensions of k‐space. An iterative conjugate gradient algorithm with SENSE reconstruction and time‐segmented non‐uniform fast Fourier transform (FFT) was used for parallel imaging acceleration and to account for the effects of B0 inhomogeneity. The golden angle rotation allowed for sliding window reconstruction schemes to be applied in brain BOLD fMRI experiments.

Results

Combined whole brain visual and motor fMRI experiments were successfully carried out on a clinical 3T scanner at 2 mm isotropic and 1 × 1 × 2 mm3 resolutions using the 3D REPI design. Improved sampling characteristics and image quality were observed for twisted trajectories at the expense of prolonged readout times and off‐resonance effects. The ability to correct for rigid motion correction was also demonstrated.

Conclusions

3D REPI presents a flexible approach for segmented volumetric fMRI with motion correction and high in‐plane spatial resolutions. Improved BOLD fMRI brain activation maps were obtained using a sliding window reconstruction.
The Coax Dipole: A fully flexible coaxial cable dipole antenna with flattened current distribution for body imaging at 7 Tesla
Authors: van Leeuwen Carel C. , Steensma Bart R. , Klomp Dennis W. J. , van den Berg Cornelis A. T. , Raaijmakers Alexander J. E.
Published: August 2021

Purpose

The coax dipole antenna, a flexible antenna for body imaging at 7T is presented. Similar to the high impedance coil, this coaxial cable antenna is fed on the central conductor and through gaps in the shield, the current passes to the outside of the antenna to generate B1 field. This could achieve more favorable current distributions and better adaptation to the body curvature.

Methods

Finite difference time domain (FDTD) simulations are performed to optimize the positions of the gaps in the shield for a flat current profile. Lumped inductors are added to each end to reduce losses. The performance of a single antenna is compared to a fractionated dipole using B1 maps and MR thermometry. Finally, an array of eight coax dipoles is evaluated in simulations and used for in‐vivo scanning.

Results

An optimal configuration is found with gaps located at 10 cm from the center and inductor values of 28 nH. In comparison to the fractionated dipole antenna, in single antenna phantom measurements the coax dipole achieves similar B1 amplitude with 18% lower peak temperature. In simulations, the eight‐channel array of coax dipoles improved B1 homogeneity by 18%, along with small improvements in transmit efficiency and specific absorption rate (SAR). MRI measurements on three volunteers show more consistent performance for the coax dipoles.

Conclusion

The coax dipole is a novel antenna design with a flattened current distribution resulting in beneficial properties. Also, the flexible design of the coax dipoles allows better adaptation to the body curvature and can potentially be used for a wide range of imaging targets.
Detection and viability of murine NK cells in vivo in a lymphoma model using fluorine‐19 MRI
Authors: Lechuga Lawrence M. , Forsberg Matthew H. , Walker Kirsti L. , Ludwig Kai D. , Capitini Christian M. , Fain Sean B.
Published: August 2021

Natural killer (NK) cell therapies are being increasingly used as an adoptive cell therapy for cancer because they can recognize tumor cells in an antigen‐independent manner. While promising, the understanding of NK cell persistence, particularly within a harsh tumor microenvironment, is limited. Fluorine‐19 (19F) MRI is a noninvasive imaging modality that has shown promise in longitudinally tracking cell populations in vivo; however, it has not been studied on murine NK cells. In this study, the impact of 19F labeling on murine NK cell viability and function was assessed in vitro and then used to quantify NK cell persistence in vivo. While there was no noticeable impact on viability, labeling NK cells with 19F did attenuate cytotoxicity against lymphoma cells in vitro. Fluorescent microscopy verified 19F labeling in both the cytoplasm and nucleus of NK cells. Lymphoma‐bearing mice were given intratumoral injections of 19F‐labeled NK cells in which signal was detectable across the 6 day observation period via 19F MRI. Quantification from the composite images detected 78‐94% of the initially injected NK cells across 6 days, with a significant decrease between Days 3 and 6. Postmortem flow cytometry demonstrated retention of 19F intracellularly within adoptively transferred NK cells with less than 1% of 19F‐containing cells identified as tumor‐associated macrophages that presumably ingested nonviable NK cells. This work demonstrates that 19F MRI offers a specific imaging platform to track and quantify murine NK cells within tumors noninvasively.
“Power back in the community”: Going beyond performative generosity in nonprofits
Authors: Ojeda Rosie , Wall Maeve
Published: August 2021

Our study critiques nonprofits in the United States, using settler colonial and critical whiteness theories. Nonprofits rely on the donations of wealthy white donors to support marginalized communities. Yet, nonprofits, through donor support, fund projects that benefit marginalized communities without critiquing how the money was earned, who it belongs to, and why such inequities exist. If nonprofits seek to truly invest in marginalized communities, they need to be critical of their own model. This article depicts a composite counter‐story about a woman reflecting on her experience working for a nonprofit, and her decision to quit her job when she realizes that the organization she worked for did not truly put “power back in the community” like they claimed. Using a fictionalized counter‐story, this article presents the very real ways in which nonprofits can use Indigenous values to go beyond performative generosity. The five values that emerge from our counter‐story are: relationality, respect, responsibility, reciprocity, and reflection. These values can help us work towards a future where philanthropy is no longer needed.
Effect of processing conditions on electromagnetic shielding and electrical resistivity of injection‐molded polybutylene terephthalate compounds
Authors: Martins Luís C. , Barbosa Carlos N. , Silva Susana , Bernardo Pedro , Dias Gustavo R. , Pontes António J.
Published: August 2021

This research introduces an analysis of the anisotropic electrical resistivity (ER) and its relation to the electromagnetic shielding effectiveness (EMSE) for two injection‐molded carbon‐fiber‐reinforced polybutylene terephthalates (PBTs). The properties were measured for 2‐mm thick injection moldings considering the effect of melt temperature, injection velocity, and flow distance. The results for one compound showed an EMSE in the range of 30–40 dB, while EMSE for a compound with lower filler content is in the range of 45–75 dB. A combination of higher temperature and higher velocity leads to an increase of EMSE for both compounds in the range of 3%–8.5%. However, the increase in flow path reduced the EMSE for both compounds up to 10%. A novel experimental apparatus was used to measure the anisotropic ER in the three directions, that is, parallel, perpendicular, and transversal to flow. It is evident that injection molding induced high anisotropy for both compound specimens, and, depending on the processing conditions, produced similar longitudinal resistivity (0.2–4 Ω.cm) but higher transversal resistivity (8–22 Ω.cm). ER properties were compared with EMSE, evidencing an inverse relation as expected. Furthermore, it was found that the longitudinal resistivity is the main contributor to the specimens shielding.
Exploring the Hypoglycaemic Mechanism of Chinese Medicine Xiao‐Ke‐An Based on Target Dipeptidyl Peptidase 4 Using Molecular Docking and Dynamics Simulation
Authors: Yong‐Lin Wang , Yan Zhuang , Yan Tong , Yuan‐Fang Kong , Yu‐Long Hu , Jie‐Ming Li , Shao‐Pei Wang , Chun‐Hong Dong , Xiao‐Fei Li
Published: August 2021

Xiao‐Ke‐An is a traditional Chinese medicine formula for reducing the effects of diabetes by inhibiting dipeptidyl peptidase‐4 (DPP‐4) activity. However, its molecular mechanism is unclear owing to the complexity of its components. In this study, methods of molecular docking, molecular dynamics and molecular mechanics/Poisson Boltzmann surface area are combined for analysis. The main hypoglycaemic mechanism of Xiao‐Ke‐An involves multiple components. In particular, MOL003714 shows the strongest binding capacity with a binding free energy of −253.08 kJ mol−1 and thus could be a potent inhibitor of DPP‐4. Additionally, MOL007062 and MOL010404 show strong interactions with superoxide dismutase, tumour necrosis factor‐alpha and caspase‐3, indicating their ability to decrease the symptoms of type II diabetes by alleviating insulin resistance and reducing inflammatory reactions and oxidative stress. This study provides a theoretical basis for the discovery and modification of natural DPP‐4 inhibitors and details the role of Xiao‐Ke‐An.
Meta‐separation: Improvement of Properties by Molecular Design of Metamaterials for Organophosphorous Flame Retardants
Authors: Hwan Choi Kyoung , So Jeong Kim M. E. , Hack Suh Dong
Published: August 2021

The separation of liquid mixture has been studied for a long time. Separation proceeds based on the difference in physical properties including pore size and electrostatic interaction. Therefore, there are many difficulties in separation of materials having similar size and/or polarities in physical properties. Recently, meta‐separation which is novel separation strategy employing a metamaterial was reported. It utilizes the structural properties of metamaterials rather than electrostatic characteristics to separate water‐organic mixtures. Although it proposes a new method for separation of aqueous liquid mixtures, it has a low phase transition temperature and melting point. A newly designed and synthesized 12,12′,12′′,12′′′‐(pyrene‐4,5,9,10‐tetrayltetrakis(oxy))tetrakis(dodecan‐1‐ol)(PTOH) can significantly increase the thermal stability by replacing the end of the building block with a hydroxyl group. This dramatically improves the stability of the metamaterial in the xy plane through hydrogen bonding interaction, thereby increasing the phase transition temperature by 23.49 °C. Furthermore, organophosphorous flame retardants (OPFRs), critical hazardous organic compounds, are entirely eliminated from the water mixture by molecular metamaterial with PTOH.
Facile Fabrication of Novel SrMoO4/g‐C3N4 Hybrid Composite for High‐Performance Photocatalytic Degradation of Dye Pollutant under Sunlight
Authors: Gandamalla Ambedkar , Manchala Saikumar , Shanker Vishnu
Published: August 2021

The exploitation of the efficient hybrid composite materials for environmental remediation is highly demanding area. In the present work, pristine SrMoO4 (SMO), g‐C3N4 (G‐CN) and SrMoO4/g‐C3N4 (SMO/G‐CN) hybrid composite materials have been synthesized for the first time by facile mixing and heating methodology. The fabricated materials are subsequently characterized by various spectroscopic techniques. Phase analysis was carried out by PXRD study as well as morphology and elemental analysis were investigated by FE‐SEM, EDS and XPS studies. The thermal stability of synthesized materials was determined by TGA as well as optical properties were confirmed by UV‐Vis DRS and PL studies, electrochemical analysis by EIS studies. The results reveals the optimized SMO/G‐CN‐10 composite photocatalyst exhibits superior performance for the photocatalytic degradation of Rhodamine B (Rh B) dye under direct sunlight irradiation and rate of photocatalytic efficiency of SMO/G‐CN‐10 (0.0976 min−1) is 4 and 40 times higher as compared to those of pure G‐CN (0.0245 min−1) and SMO (0.0024 min−1) respectively. Good interfacial interactions between the G‐CN and SMO in SMO/G‐CN‐10 composite helps in the separation and efficient transfer of photo‐induced excitons by inhibiting the recombination of excitons. The trapping experiment results reveals that O2.− are the major reactive species. It was noted that our composite SMO/G‐CN‐10 is found to be stable even after four successive runs. Furthermore a suitable mechanism has been proposed for its enhanced photocatalytic activity. Altogether, in the present investigation, a new route for the synthesis of efficient visible light active photocatalysts has been reported which is not only beneficial for environmental remediation applications but might also be used for the water splitting and CO2 reduction.
Highly Dispersed Ru Nanoparticles on Boron‐Doped Ti3C2Tx (MXene) Nanosheets for Synergistic Enhancement of Electrocatalytic Hydrogen Evolution
Authors: Bat‐Erdene Munkhjargal , Batmunkh Munkhbayar , Sainbileg Batjargal , Hayashi Michitoshi , Bati Abdulaziz S. R. , Qin Jiadong , Zhao Huijun , Zhong Yu Lin , Shapter Joseph G.
Published: August 2021

2D‐layered materials have attracted increasing attention as low‐cost supports for developing active catalysts for the hydrogen evolution reaction (HER). In addition, atomically thin Ti3C2Tx (MXene) nanosheets have surface termination groups (Tx: F, O, and OH), which are active sites for effective functionalization. In this work, heteroatom (boron)‐doped Ti3C2Tx (MXene) nanosheets are developed as an efficient solid support to host ultrasmall ruthenium (Ru) nanoparticles for electrocatalytic HER. The quantum‐mechanical first‐principles calculations and electrochemical tests reveal that the B‐doping onto 2D MXene nanosheets can largely improve the intermediate H* adsorption kinetics and reduce the charge‐transfer resistance toward the HER, leading to increased reactivity of active sites and favorable electrode kinetics. Importantly, the newly designed electrocatalyst based on Ru nanoparticles supported on B‐doped MXene (Ru@B–Ti3C2Tx) nanosheets shows a remarkable catalytic activity with low overpotentials of 62.9 and 276.9 mV to drive 10 and 100 mA cm−2, respectively, for the HER, while exhibiting excellent cycling stabilities. Moreover, according to the theoretical calculations, Ru@B–Ti3C2Tx exhibits a near‐zero value of Gibbs free energy (ΔGH* = 0.002 eV) for the HER. This work introduces a facile strategy to functionalize MXene for use as a solid support for efficient electrocatalysts.
Sustainable roll-to-roll manufactured multi-layer smart label
Authors: Hakola Liisa , Jansson Elina , Futsch Romain , Happonen Tuomas , Thenot Victor , Depres Gael , Rougier Aline , Smolander Maria
Published: August 2021

Sustainability in electronics has a growing importance due to, e.g. increasing electronic waste, and global and European sustainability goals. Printing technologies and use of paper as a substrate enable manufacturing of sustainable electronic devices for emerging applications, such as the multi-layer anti-counterfeit label presented in this paper. This device consisted of electrochromic display (ECD) element, NFC (near field communication) tag and circuitry, all fully roll-to-roll (R2R) printed and assembled on plastic-free paper substrate, thus leading to a sustainable and recyclable device. Our setup uses harvested energy from HF field of a smartphone or reader, to switch an electrochromic display after rectification to prove authenticity of a product. Our novelty is in upscaling the manufacturing process to be fully printable and R2R processable in high-throughput conditions simulating industrial environment, i.e. in pilot scale. The printing workflow consisted of 11 R2R printed layers, all done in sufficient quality and registration. The printed antennas showed sheet resistance values of 32.9±1.9 mΩ/sq. The final yield was almost 1500 fully printed devices, and in R2R assembly over 1400 labels were integrated with 96.5% yield. All the assembled tags were readable with mobile phone NFC reader. The optical contrast (ΔE*) measured for the ECDs was over 15 for all the printed displays, a progressive switching time with a colour change visible in less than 5 s. The smart tag is ITO-free, plastic-free, fully printed in R2R and has a good stability over 50 cycles and reversible colour change from light to dark blue.
Decomposition of air pollution emissions from Swedish manufacturing
Authors: Ustyuzhanina Polina
Published: August 2021

Starting from the ’90s, Swedish manufacturing output has been constantly growing, while emissions of some major air pollutants have been declining. This paper decomposes manufacturing pollution emissions to identify the forces associated with the abatement. It uses a newly available dataset on actual annual emissions from Swedish manufacturing and creates an index of emission intensities for the major local air pollutants to directly estimate the technique effect for the period 2007–2017. The results suggest that the main driver of the clean-up was improvements in emission intensities, while the composition of output actually moved towards more pollution-intensive goods. In the absence of changes in scale and technique, manufacturing pollution emissions would have increased in a range between 3 (particulate matter) and 20% (non-methane volatile compounds) between 2007 and 2017.